PDB_ID PUBMED_CID STRUCTURE TITLE DEPOSITION DATE RELEASE DATE AUTHORS CITATION TITLE JOURNAL YEAR VOLUME FIRST PAGE LAST PAGE 1E9N 11286553 A second divalent metal ion in the active site of a new crystal form of human apurinic/apyrimidinic endonuclease, Ape1, and its implications for the catalytic mechanism 2000-10-24 2001-02-16 Beernink, P.T.,Segelke, B.W.,Hadi, M.Z.,Erzberger, J.P.,Wilson III, D.M.,Rupp, B. Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism J.Mol.Biol. 2001 307 1023 0 1JTX 11739955 Crystal structure of the multidrug binding transcriptional regulator QacR bound to crystal violet 2001-08-22 2001-12-07 Schumacher, M.A.,Miller, M.C.,Grkovic, S.,Brown, M.H.,Skurray, R.A.,Brennan, R.G. Structural mechanisms of QacR induction and multidrug recognition. Science 2001 294 2158 2163 1JT6 11739955 Crystal structure of the multidrug binding protein QacR bound to dequalinium 2001-08-20 2001-12-12 Schumacher, M.A.,Miller, M.C.,Grkovic, S.,Brown, M.H.,Skurray, R.A.,Brennan, R.G. Structural mechanisms of QacR induction and multidrug recognition. Science 2001 294 2158 2163 1JU3 11742345 BACTERIAL COCAINE ESTERASE COMPLEX WITH TRANSITION STATE ANALOG 2001-08-23 2001-12-21 Larsen, N.A.,Turner, J.M.,Stevens, J.,Rosser, S.J.,Basran, A.,Lerner, R.A.,Bruce, N.C.,Wilson, I.A. Crystal structure of a bacterial cocaine esterase. Nat.Struct.Biol. 2002 9 17 21 1JU3 11742345 BACTERIAL COCAINE ESTERASE COMPLEX WITH TRANSITION STATE ANALOG 2001-08-23 2001-12-21 Larsen, N.A.,Turner, J.M.,Stevens, J.,Rosser, S.J.,Basran, A.,Lerner, R.A.,Bruce, N.C.,Wilson, I.A. Crystal structure of a bacterial cocaine esterase. Nat.Struct.Biol. 2002 9 17 21 1K9I 11739956 Complex of DC-SIGN and GlcNAc2Man3 2001-10-29 2001-12-21 Feinberg, H.,Mitchell, D.A.,Drickamer, K.,Weis, W.I. Structural basis for selective recognition of oligosaccharides by DC-SIGN and DC-SIGNR. Science 2001 294 2163 2166 1JPP 11707392 The Structure of a beta-Catenin Binding Repeat from Adenomatous Polyposis Coli (APC) in Complex with beta-Catenin 2001-08-02 2002-01-16 Eklof Spink, K.,Fridman, S.G.,Weis, W.I. Molecular mechanisms of beta-catenin recognition by adenomatous polyposis coli revealed by the structure of an APC-beta-catenin complex. EMBO J. 2001 20 6203 6212 1JXM 11779506 CRYSTAL STRUCTURE OF THE GMP BOUND SH3-HOOK-GK FRAGMENT OF PSD-95 2001-09-07 2002-01-16 Tavares, G.A.,Panepucci, E.H.,Brunger, A.T. Structural characterization of the intramolecular interaction between the SH3 and guanylate kinase domains of PSD-95. Mol.Cell 2001 8 1313 1325 1JXO 11779506 Crystal Structure of the SH3-HOOK-GK Fragment of PSD-95 2001-09-07 2002-01-16 Tavares, G.A.,Panepucci, E.H.,Brunger, A.T. Structural characterization of the intramolecular interaction between the SH3 and guanylate kinase domains of PSD-95. Mol.Cell 2001 8 1313 1325 1K83 11805306 Crystal Structure of Yeast RNA Polymerase II Complexed with the Inhibitor Alpha Amanitin 2001-10-22 2002-02-13 Bushnell, D.A.,Cramer, P.,Kornberg, R.D. Structural Basis of Transcription: Alpha-Amanitin-RNA Polymerase II Cocrystal at 2.8 A Resolution. Proc.Natl.Acad.Sci.USA 2002 99 1218 0 1L5H 11951047 FeMo-cofactor Deficient Nitrogenase MoFe Protein 2002-03-06 2002-04-17 Schmid, B.,Ribbe, M.W.,Einsle, O.,Yoshida, M.,Thomas, L.M.,Dean, D.R.,Rees, D.C.,Burgess, B.K. Structure of a cofactor-deficient nitrogenase MoFe protein. Science 2002 296 352 356 1KYI 12054822 HslUV (H. influenzae)-NLVS Vinyl Sulfone Inhibitor Complex 2002-02-04 2002-05-15 Sousa, M.C.,Kessler, B.M.,Overkleeft, H.S.,McKay, D.B. Crystal Structure of HslUV Complexed with a Vinyl Sulfone Inhibitor: Corroboration of a Proposed Mechanism of Allosteric Activation of HslV by HslU J.Mol.Biol. 2002 318 779 785 1IJK 12121649 The von Willebrand Factor mutant (I546V) A1 domain-botrocetin Complex 2001-04-26 2002-07-10 Fukuda, K.,Doggett, T.A.,Bankston, L.A.,Cruz, M.A.,Diacovo, T.G.,Liddington, R.C. Structural basis of von Willebrand factor activation by the snake toxin botrocetin. Structure 2002 10 943 950 1J5T Crystal structure of indole-3-glycerol phosphate synthase (TM0140) from Thermotoga maritima at 3.0 A resolution 2002-07-03 2002-07-31 Joint Center for Structural Genomics (JCSG) Crystal structure of indole-3-glycerol phosphate synthase (TM0140) from Thermotoga maritima at 3.0 A resolution To be published 0 0 0 0 1KZQ 12091874 crystal structure of a parasite protein 2002-02-07 2002-07-31 He, X.L.,Grigg, M.E.,Boothroyd, J.C.,Garcia, K.C. Structure of the immunodominant surface antigen from the Toxoplasma gondii SRS superfamily. Nat.Struct.Biol. 2002 9 606 611 1M9M 12437348 human endothelial nitric oxide synthase with 6-nitroindazole bound 2002-07-29 2002-08-07 Rosenfeld, R.J.,Garcin, E.D.,Panda, K.,Andersson, G.,Aberg, A.,Wallace, A.V.,Morris, G.M.,Olson, A.J.,Stuehr, D.J.,Tainer, J.A.,Getzoff, E.D. Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry 2002 41 13915 13925 1M9Q 12437348 human endothelial nitric oxide synthase with 5-nitroindazole bound 2002-07-29 2002-08-07 Rosenfeld, R.J.,Garcin, E.D.,Panda, K.,Andersson, G.,Aberg, A.,Wallace, A.V.,Morris, G.M.,Olson, A.J.,Stuehr, D.J.,Tainer, J.A.,Getzoff, E.D. Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry 2002 41 13915 13925 1M1C 12244300 Structure of the L-A virus 2002-06-18 2002-10-02 Naitow, H.,Tang, J.,Canady, M.,Wickner, R.B.,Johnson, J.E. L-A virus at 3.4 A resolution reveals particle architecture and mRNA decapping mechanism. Nat.Struct.Biol. 2002 9 725 728 1M1E 12408825 Beta-catenin armadillo repeat domain bound to ICAT 2002-06-18 2002-10-16 Daniels, D.L.,Weis, W.I. ICAT inhibits Beta-catenin binding to Tcf/Lef-family transcription factors and the general coactivator p300 using independent structural modules. Mol.Cell 2002 10 573 584 1M5Y 12429090 Crystallographic Structure of SurA, a Molecular Chaperone that Facilitates Outer Membrane Porin Folding 2002-07-10 2002-11-08 Bitto, E.,McKay, D.B. Crystallographic Structure of SurA, a Molecular Chaperone that Facilitates Folding of Outer Membrane Porins Structure 2002 10 1489 1498 1M5Y 12429090 Crystallographic Structure of SurA, a Molecular Chaperone that Facilitates Outer Membrane Porin Folding 2002-07-10 2002-11-08 Bitto, E.,McKay, D.B. Crystallographic Structure of SurA, a Molecular Chaperone that Facilitates Folding of Outer Membrane Porins Structure 2002 10 1489 1498 1L7E 12379117 Crystal Structure of R. rubrum Transhydrogenase Domain I with Bound NADH 2002-03-14 2002-11-20 Prasad, G.S.,Wahlberg, M.,Sridhar, V.,Yamaguchi, M.,Hatefi, Y.,Stout, C.D. Crystal Structures of Transhydrogenase Domain I with and without Bound NADH Biochemistry 2002 41 12745 12754 1N3L 12427973 Crystal structure of a human aminoacyl-tRNA synthetase cytokine 2002-10-28 2002-11-20 Yang, X.-L.,Skene, R.J.,McRee, D.E.,Schimmel, P. Crystal structure of a human aminoacyl-tRNA synthetase cytokine Proc.Natl.Acad.Sci.USA 2002 99 15369 15374 1N5B 12554962 Crystal Structure Of The Yersinia enterocolitica Molecular Chaperone Syce 2002-11-05 2002-11-20 Trame, C.B.,McKay, D.B. Structure of the Yersinia enterocolitica molecular-chaperone protein SycE. Acta Crystallogr.,Sect.D 2003 59 389 392 1MEO 12450384 human glycinamide ribonucleotide Transformylase at pH 4.2 2002-08-08 2002-12-18 Zhang, Y.,Desharnais, J.,Greasley, S.E.,Beardsley, G.P.,Boger, D.L.,Wilson, I.A. Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR Biochemistry 2002 41 14206 14215 1LZK 12421810 BACTERIAL HEROIN ESTERASE COMPLEX WITH TRANSITION STATE ANALOG DIMETHYLARSENIC ACID 2002-06-10 2003-01-28 ZHU, X.,LARSEN, N.A.,BASRAN, A.,BRUCE, N.C.,WILSON, I.A. OBSERVATION OF AN ARSENIC ADDUCT IN AN ACETYL ESTERASE CRYSTAL STRUCTURE J.Biol.Chem. 2003 278 2008 2014 1MIZ 12535520 Crystal structure of an integrin beta3-talin chimera 2002-08-23 2003-01-28 Garcia-Alvarez, B.,de Pereda, J.M.,Calderwood, D.A.,Ulmer, T.S.,Critchley, D.,Campbell, I.D.,Ginsberg, M.H.,Liddington, R.C. Structural determinants of integrin recognition by talin Mol.Cell 2003 11 49 58 1N7M 12552112 Germline 7G12 with N-methylmesoporphyrin 2002-11-15 2003-02-04 Yin, J.,Andryski, S.E.,Beuscher IV, A.E.,Stevens, R.C.,Schultz, P.G. Structural evidence for substrate strain in antibody catalysis Proc.Natl.Acad.Sci.USA 2003 100 856 861 1NGW 12552112 Chimeric Affinity Matured Fab 7g12 complexed with mesoporphyrin 2002-12-18 2003-02-04 Yin, J.,Andryski, S.E.,Beuscher IV, A.E.,Stevens, R.C.,Schultz, P.G. Structural evidence for substrate strain in antibody catalysis Proc.Natl.Acad.Sci.USA 2003 100 856 861 1L7Q 12369817 Ser117Ala Mutant of Bacterial Cocaine Esterase cocE 2002-03-16 2003-02-11 Turner, J.M.,Larsen, N.A.,Basran, A.,Barbas III, C.F.,Bruce, N.C.,Wilson, I.A.,Lerner, R.A. Biochemical characterization and structural analysis of a highly proficient cocaine esterase Biochemistry 2002 41 12297 12307 1MUJ 12589760 Crystal structure of murine class II MHC I-Ab in complex with a human CLIP peptide 2002-09-23 2003-02-18 Zhu, Y.,Rudensky, A.Y.,Teyton, A.L.,Wilson, I.A. Crystal structure of MHC class II I-Ab in complex with a human CLIP peptide: Prediction of an I-Ab peptide-binding motif J.Mol.Biol. 2003 326 1157 1174 1NYL 12737824 Unliganded glutaminyl-tRNA synthetase 2003-02-12 2003-02-25 Sherlin, L.D.,Perona, J.J. tRNA-Dependent Active Site Assembly in a Class I Aminoacyl-tRNA Synthetase. Structure 2003 11 591 603 1O1Y 14997577 Crystal structure of a glutamine amidotransferase (tm1158) from thermotoga maritima at 1.70 A resolution 2003-02-12 2003-03-11 Schwarzenbacher, R.,Deacon, A.M.,Jaroszewski, L.,Brinen, L.S.,Canaves, J.M.,Dai, X.,Elsliger, M.A.,Floyd, R.,Godzik, A.,Grittini, C.,Grzechnik, S.K.,Klock, H.E.,Koesema, E.,Kovarik, J.S.,Kreusch, A.,Kuhn, P.,Lesley, S.A.,McMullan, D.,McPhillips, T.M.,Miller, M.D.,Morse, A.,Moy, K.,Nelson, M.S.,Ouyang, J.,Page, R.,Robb, A.,Quijano, K.,Spraggon, G.,Stevens, R.C.,van den Bedem, H.,Velasquez, J.,Vincent, J.,von Delft, F.,Wang, X.,West, B.,Wolf, G.,Hodgson, K.O.,Wooley, J.,Wilson, I.A. Crystal structure of a putative glutamine amido transferase (TM1158) from Thermotoga maritima at 1.7 A resolution. PROTEINS 2004 54 801 805 1LX5 12667445 Crystal Structure of the BMP7/ActRII Extracellular Domain Complex 2002-06-04 2003-04-01 Greenwald, J.,Groppe, J.,Gray, P.,Wiater, E.,Kwiatkowski, W.,Vale, W.,Choe, S. The BMP7/ActRII Extracellular Domain Complex Provides New Insights into the Cooperative Nature of Receptor Assembly Mol.Cell 2003 11 605 617 1MG7 12672694 Crystal Structure of xol-1 2002-08-14 2003-04-22 Luz, J.G.,Hassig, C.A.,Pickle, C.,Godzik, A.,Meyer, B.J.,Wilson, I.A. XOL-1, primary determinant of sexual fate in C. elegans, is a GHMP kinase family member and a structural prototype for a class of developmental regulators Genes Dev. 2003 17 977 990 1NT0 12743029 Crystal structure of the CUB1-EGF-CUB2 region of MASP2 2003-01-28 2003-05-20 Feinberg, H.,Uitdehaag, J.C.M.,Davies, J.M.,Wallis, R.,Drickamer, K.,Weis, W.I. Crystal structure of the CUB1-EGF-CUB2 region of mannose-binding protein associated serine protease-2 Embo J. 2003 22 2348 2359 1OQV 12769840 Structure of TcpA, the Type IV pilin subunit from the toxin co-regulated pilus of Vibrio cholerae classical biotype 2003-03-11 2003-06-03 Craig, L.,Taylor, R.K.,Pique, M.E.,Adair, B.D.,Arvai, A.S.,Singh, M.,Lloyd, S.J.,Shin, D.S.,Getzoff, E.D.,Yeager, M.,Forest, K.T.,Tainer, J.A. Type IV Pilin Structure and Assembly: X-Ray and EM Analyses of Vibrio cholerae Toxin-Coregulated Pilus and Pseudomonas aeruginosa PAK Pilin Mol.Cell 2003 11 1139 1150 1O2D 14705036 Crystal structure of Alcohol dehydrogenase, iron-containing (TM0920) from Thermotoga maritima at 1.30 A resolution 2003-02-27 2003-06-10 Schwarzenbacher, R.,von Delft, F.,Canaves, J.M.,Brinen, L.S.,Dai, X.,Deacon, A.M.,Elsliger, M.A.,Eshaghi, S.,Floyd, R.,Godzik, A.,Grittini, C.,Grzechnik, S.K.,Guda, C.,Jaroszewski, L.,Karlak, C.,Klock, H.E.,Koesema, E.,Kovarik, J.S.,Kreusch, A.,Kuhn, P.,Lesley, S.A.,McMullan, D.,McPhillips, T.M.,Miller, M.A.,Miller, M.D.,Morse, A.,Moy, K.,Ouyang, J.,Page, R.,Robb, A.,Rodrigues, K.,Selby, T.L.,Spraggon, G.,Stevens, R.C.,van den Bedem, H.,Velasquez, J.,Vincent, J.,Wang, X.,West, B.,Wolf, G.,Hodgson, K.O.,Wooley, J.,Wilson, I.A. Crystal structure of an iron-containing 1,3-propanediol dehydrogenase (TM0920) from Thermotoga maritima at 1.3 A resolution Proteins 2004 54 174 177 1O26 12791256 Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and dUMP at 1.6 A resolution 2003-02-18 2003-06-24 Mathews, I.I.,Deacon, A.M.,Canaves, J.M.,McMullan, D.,Lesley, S.A.,Agarwalla, S.,Kuhn, P. Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein Structure 2003 11 677 690 1O2A 12791256 Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD at 1.8 A resolution 2003-02-18 2003-06-24 Mathews, I.I.,Deacon, A.M.,Canaves, J.M.,McMullan, D.,Lesley, S.A.,Agarwalla, S.,Kuhn, P. Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein Structure 2003 11 677 690 1OFH 12823960 Asymmetric complex between HslV and I-domain deleted HslU (H. influenzae) 2003-04-14 2003-07-03 Kwon, A.R.,Kessler, B.M.,Overkleeft, H.S.,Mckay, D.B. Structure and Reactivity of an Asymmetric Complex between Hslv and I-Domain Deleted Hslu, a Prokaryotic Homolog of the Eukaryotic Proteasome J.Mol.Biol. 2003 330 185 0 1OFI 12823960 Asymmetric complex between HslV and I-domain deleted HslU (H. influenzae) 2003-04-14 2003-07-03 Kwon, A.R.,Kessler, B.M.,Overkleeft, H.S.,Mckay, D.B. Structure and Reactivity of an Asymmetric Complex between Hslv and I-Domain Deleted Hslu, a Prokaryotic Homolog of the Eukaryotic Proteasome J.Mol.Biol. 2003 330 185 0 1O4U 15103640 Crystal structure of a nicotinate nucleotide pyrophosphorylase (tm1645) from thermotoga maritima at 2.50 A resolution 2003-07-09 2003-07-22 Schwarzenbacher, R.,Jaroszewski, L.,von Delft, F.,Abdubek, P.,Ambing, E.,Biorac, T.,Brinen, L.S.,Canaves, J.M.,Cambell, J.,Chiu, H.J.,Dai, X.,Deacon, A.M.,DiDonato, M.,Elsliger, M.A.,Eshagi, S.,Floyd, R.,Godzik, A.,Grittini, C.,Grzechnik, S.K.,Hampton, E.,Karlak, C.,Klock, H.E.,Koesema, E.,Kovarik, J.S.,Kreusch, A.,Kuhn, P.,Lesley, S.A.,Levin, I.,McMullan, D.,McPhillips, T.M.,Miller, M.D.,Morse, A.,Moy, K.,Ouyang, J.,Page, R.,Quijano, K.,Robb, A.,Spraggon, G.,Stevens, R.C.,van den Bedem, H.,Velasquez, J.,Vincent, J.,Wang, X.,West, B.,Wolf, G.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Wilson, I.A. Crystal structure of a type II quinolic acid phosphoribosyltransferase (TM1645) from Thermotoga maritima at 2.50 A resolution Proteins 2004 55 768 771 1O4V 15048837 Crystal structure of the catalytic subunit of a phosphoribosylaminoimidazole mutase (tm0446) from thermotoga maritima at 1.77 A resolution 2003-07-11 2003-07-22 Schwarzenbacher, R.,Jaroszewski, L.,von Delft, F.,Abdubek, P.,Ambing, E.,Biorac, T.,Brinen, L.S.,Canaves, J.M.,Cambell, J.,Chiu, H.J.,Dai, X.,Deacon, A.M.,DiDonato, M.,Elsliger, M.A.,Eshagi, S.,Floyd, R.,Godzik, A.,Grittini, C.,Grzechnik, S.K.,Hampton, E.,Karlak, C.,Klock, H.E.,Koesema, E.,Kovarik, J.S.,Kreusch, A.,Kuhn, P.,Lesley, S.A.,Levin, I.,McMullan, D.,McPhillips, T.M.,Miller, M.D.,Morse, A.,Moy, K.,Ouyang, J.,Page, R.,Quijano, K.,Robb, A.,Spraggon, G.,Stevens, R.C.,van den Bedem, H.,Velasquez, J.,Vincent, J.,Wang, X.,West, B.,Wolf, G.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Wilson, I.A. Crystal structure of a phosphoribosylaminoimidazole mutase PurE (TM0446) from Thermotoga maritima at 1.77 A resolution Proteins 2004 55 474 478 1P9A 12855810 Crystal Structure of N-Terminal Domain of Human Platelet Receptor Glycoprotein Ib-alpha at 1.7 Angstrom Resolution 2003-05-09 2003-07-22 Celikel, R.,McClintock, R.A.,Roberts, J.R.,Mendolicchio, G.L.,Ware, J.,Varughese, K.I.,Ruggeri, Z.M. Modulation of alpha-thrombin function by distinct interactions with platelet glycoprotein Ibalpha Science 2003 301 218 221 1O4W 15211526 CRYSTAL STRUCTURE OF a PIN (PILT N-TERMINUS) DOMAIN CONTAINING PROTEIN (AF0591) FROM ARCHAEOGLOBUS FULGIDUS AT 1.90 A RESOLUTION 2003-07-16 2003-07-29 Levin, I.,Schwarzenbacher, R.,Page, R.,Abdubek, P.,Ambing, E.,Biorac, T.,Brinen, L.S.,Campbell, J.,Canaves, J.M.,Chiu, H.J.,Dai, X.,Deacon, A.M.,DiDonato, M.,Elsliger, M.A.,Floyd, R.,Godzik, A.,Grittini, C.,Grzechnik, S.K.,Hampton, E.,Jaroszewski, L.,Karlak, C.,Klock, H.E.,Koesema, E.,Kovarik, J.S.,Kreusch, A.,Kuhn, P.,Lesley, S.A.,McMullan, D.,McPhillips, T.M.,Miller, M.D.,Morse, A.,Moy, K.,Ouyang, J.,Quijano, K.,Reyes, R.,Rezezadeh, F.,Robb, A.,Sims, E.,Spraggon, G.,Stevens, R.C.,van den Bedem, H.,Velasquez, J.,Vincent, J.,von Delft, F.,Wang, X.,West, B.,Wolf, G.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Wilson, I.A. Crystal structure of a PIN (PilT N-terminus) domain (AF0591) from Archaeoglobus fulgidus at 1.90 A resolution Proteins 2004 56 404 408 1NR6 12899620 MICROSOMAL CYTOCHROME P450 2C5/3LVDH COMPLEX WITH DICLOFENAC 2003-01-23 2003-08-12 WESTER, M.R.,JOHNSON, E.F.,Marques-Soares, C.,Dijols, S.,Dansette, P.M.,Mansuy, D.,STOUT, C.D. Structure of Mammalian Cytochrome P450 2C5 Complexed with Diclofenac at 2.1 A Resolution: Evidence for an Induced Fit Model of Substrate Binding Biochemistry 2003 42 9335 9345 1O50 15326606 Crystal structure of a cbs domain-containing protein (tm0935) from thermotoga maritima at 1.87 A resolution 2003-07-31 2003-08-12 Miller, M.D.,Schwarzenbacher, R.,von Delft, F.,Abdubek, P.,Ambing, E.,Biorac, T.,Brinen, L.S.,Canaves, J.M.,Cambell, J.,Chiu, H.J.,Dai, X.,Deacon, A.M.,DiDonato, M.,Elsliger, M.A.,Eshagi, S.,Floyd, R.,Godzik, A.,Grittini, C.,Grzechnik, S.K.,Hampton, E.,Jaroszewski, L.,Karlak, C.,Klock, H.E.,Koesema, E.,Kovarik, J.S.,Kreusch, A.,Kuhn, P.,Lesley, S.A.,Levin, I.,McMullan, D.,McPhillips, T.M.,Morse, A.,Moy, K.,Ouyang, J.,Page, R.,Quijano, K.,Robb, A.,Spraggon, G.,Stevens, R.C.,van den Bedem, H.,Velasquez, J.,Vincent, J.,Wang, X.,West, B.,Wolf, G.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Wilson, I.A. Crystal structure of a tandem cystathionine-beta-synthase (CBS) domain protein (TM0935) from Thermotoga maritima at 1.87 A resolution Proteins 2004 57 213 217 1O54 Crystal structure of SAM-dependent O-methyltransferase (TM0748) from Thermotoga maritima at 1.65 A resolution 2003-08-13 2003-08-19 Joint Center for Structural Genomics (JCSG) Crystal structure of SAM-dependent O-methyltransferase (TM0748) from Thermotoga maritima at 1.65 A resolution To be published 0 0 0 0 1PKH 12909016 STRUCTURAL BASIS FOR RECOGNITION AND CATALYSIS BY THE BIFUNCTIONAL DCTP DEAMINASE AND DUTPASE FROM METHANOCOCCUS JANNASCHII 2003-06-05 2003-08-19 Huffman, J.L.,Li, H.,White, R.H.,Tainer, J.A. Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii J.Mol.Biol. 2003 331 885 896 1MEX Antibody Catalysis of a Bimolecular Cycloaddition Reaction 2002-08-08 2003-09-02 Heine, A.,Wilson, I.A. Antibody Catalysis of a Bimolecular Cycloaddition Reaction To be Published 0 0 0 0 1O59 15229895 Crystal structure of Allantoicase (yir029w) from Saccharomyces cerevisiae at 2.40 A resolution 2003-08-22 2003-09-02 Xu, Q.,Schwarzenbacher, R.,Page, R.,Sims, E.,Abdubek, P.,Ambing, E.,Biorac, T.,Brinen, L.S.,Cambell, J.,Canaves, J.M.,Chiu, H.J.,Dai, X.,Deacon, A.M.,DiDonato, M.,Elsliger, M.A.,Floyd, R.,Godzik, A.,Grittini, C.,Grzechnik, S.K.,Hampton, E.,Jaroszewski, L.,Karlak, C.,Klock, H.E.,Koesema, E.,Kovarik, J.S.,Kreusch, A.,Kuhn, P.,Lesley, S.A.,Levin, I.,McMullan, D.,McPhillips, T.M.,Miller, M.D.,Morse, A.,Moy, K.,Ouyang, J.,Quijano, K.,Reyes, R.,Rezezadeh, F.,Robb, A.,Spraggon, G.,Stevens, R.C.,van den Bedem, H.,Velasquez, J.,Vincent, J.,von Delft, F.,Wang, X.,West, B.,Wolf, G.,Hodgson, K.O.,Wooley, J.,Wilson, I.A. Crystal structure of an allantoicase (YIR029W) from Saccharomyces cerevisiae at 2.4 A resolution Proteins 2004 56 619 624 1PKJ 12909016 Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii 2003-06-05 2003-09-23 Huffman, J.L.,Li, H.,White, R.H.,Tainer, J.A. Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii J.Mol.Biol. 2003 331 885 896 1O5I Crystal structure of 3-oxoacyl-(acyl carrier protein) reductase (TM1169) from Thermotoga maritima at 2.50 A resolution 2003-09-17 2003-09-30 Joint Center for Structural Genomics (JCSG) Crystal structure of 3-oxoacyl-(acyl carrier protein) reductase (TM1169) from Thermotoga maritima at 2.50 A resolution To be published 0 0 0 0 1QYQ 14523232 Crystal Structure of the cyclized S65G Y66G GFP variant 2003-09-11 2003-09-30 Barondeau, D.P.,Putnam, C.D.,Kassmann, C.J.,Tainer, J.A.,Getzoff, E.D. Mechanism and energetics of green fluorescent protein chromophore synthesis revealed by trapped intermediate structures. Proc.Natl.Acad.Sci.Usa 2003 100 12111 12116 1PNO 14567675 Crystal structure of R. rubrum transhydrogenase domain III bound to NADP 2003-06-12 2003-11-11 Sundaresan, V.,Yamaguchi, M.,Chartron, J.,Stout, C.D. Conformational Change in the NADP(H) Binding Domain of Transhydrogenase Defines Four States Biochemistry 2003 42 12143 12153 1PP7 14622596 Crystal structure of the T. vaginalis Initiator binding protein bound to the ferredoxin Inr 2003-06-16 2003-11-18 Schumacher, M.A.,Lau, A.O.T.,Johnson, P.J. Structural Basis of Core Promoter Recognition in a Primitive Eukaryote Cell(Cambridge,Mass.) 2003 115 413 424 1PP8 14622596 crystal structure of the T. vaginalis IBP39 Initiator binding domain (IBD) bound to the alpha-SCS Inr element 2003-06-16 2003-11-18 Schumacher, M.A.,Lau, A.O.T.,Johnson, P.J. Structural Basis of Core Promoter Recognition in a Primitive Eukaryote Cell(Cambridge,Mass.) 2003 115 413 424 1R2J 14623185 FkbI for Biosynthesis of Methoxymalonyl Extender Unit of Fk520 Polyketide Immunosuppresant 2003-09-28 2003-11-25 Watanabe, K.,Khosla, C.,Stroud, R.M.,Tsai, S.-C. Crystal Structure of an Acyl-ACP Dehydrogenase from the FK520 Polyketide Biosynthetic Pathway: Insights into Extender Unit Biosynthesis J.Mol.Biol. 2003 334 435 444 1US8 14698290 The Rad50 signature motif: essential to ATP binding and biological function 2003-11-20 2003-11-25 Moncalian, G.,Lengsfeld, B.,Bhaskara, V.,Hopfner, K.P.,Karcher, A.,Alden, E.,Tainer, J.A.,Paull, T.T. The Rad50 Signature Motif: Essential to ATP Binding and Biological Function J.Mol.Biol. 2004 335 937 0 1VJ2 15229893 Crystal structure of a novel family of manganese-containing cupin (tm1459) from thermotoga maritima at 1.65 A resolution 2003-12-03 2003-12-09 Jaroszewski, L.,Schwarzenbacher, R.,von Delft, F.,McMullan, D.,Brinen, L.S.,Canaves, J.M.,Dai, X.,Deacon, A.M.,DiDonato, M.,Elsliger, M.A.,Eshagi, S.,Floyd, R.,Godzik, A.,Grittini, C.,Grzechnik, S.K.,Hampton, E.,Levin, I.,Karlak, C.,Klock, H.E.,Koesema, E.,Kovarik, J.S.,Kreusch, A.,Kuhn, P.,Lesley, S.A.,McPhillips, T.M.,Miller, M.D.,Morse, A.,Moy, K.,Ouyang, J.,Page, R.,Quijano, K.,Reyes, R.,Rezezadeh, F.,Robb, A.,Sims, E.,Spraggon, G.,Stevens, R.C.,van den Bedem, H.,Velasquez, J.,Vincent, J.,Wang, X.,West, B.,Wolf, G.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Wilson, I.A. Crystal structure of a novel manganese-containing cupin (TM1459) from Thermotoga maritima at 1.65 A resolution. Proteins 2004 56 611 614 1P6K 14718923 Rat neuronal NOS D597N mutant heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound 2003-04-29 2004-01-13 Flinspach, M.L.,Li, H.,Jamal, J.,Yang, W.,Huang, H.,Hah, J.M.,Gomez-Vidal, J.A.,Litzinger, E.A.,Silverman, R.B.,Poulos, T.L. Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat.Struct.Mol.Biol. 2004 11 54 59 1R5V 14690592 Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T-cell activation 2003-10-13 2004-02-03 Krogsgaard, M.,Prado, N.,Adams, E.J.,He, X.L.,Chow, D.C.,Wilson, D.B.,Garcia, K.C.,Davis, M.M. Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T cell activation. Mol.Cell 2003 12 1367 1378 1Q1J 14962380 Crystal Structure Analysis of anti-HIV-1 Fab 447-52D in complex with V3 peptide 2003-07-21 2004-02-17 Stanfield, R.L.,Gorny, M.K.,Williams, C.,Zolla-Pazner, S.,Wilson, I.A. Structural rationale for the broad neutralization of HIV-1 by human monoclonal antibody 447-52D. Structure 2004 12 193 204 1RUA 14982995 Crystal structure (B) of u.v.-irradiated cationic cyclization antibody 4C6 fab at pH 4.6 with a data set collected at SSRL beamline 11-1. 2003-12-11 2004-03-02 Zhu, X.,Wentworth Jr., P.,Wentworth, A.D.,Eschenmoser, A.,Lerner, R.A.,Wilson, I.A. Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA 2004 110 2247 2252 1RUL 14982995 Crystal Structure (D) of u.v.-irradiated cationic cyclization antibody 4C6 Fab at pH 5.6 with a data set collected at SSRL beamline 11-1. 2003-12-11 2004-03-02 Zhu, X.,Wentworth Jr., P.,Wentworth, A.D.,Eschenmoser, A.,Lerner, R.A.,Wilson, I.A. Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA 2004 110 2247 2252 1S9V 15020763 Crystal structure of HLA-DQ2 complexed with deamidated gliadin peptide 2004-02-05 2004-03-02 Kim, C.-Y.,Quarsten, H.,Bergseng, E.,Khosla, C.,Sollid, L.M. Structural basis for HLA-DQ2-mediated presentation of gluten epitopes in celiac disease Proc.Natl.Acad.Sci.USA 2004 101 4175 4179 1P4R 14966129 Crystal Structure of Human ATIC in complex with folate-based inhibitor BW1540U88UD 2003-04-23 2004-03-30 Cheong, C.-G.,Wolan, D.W.,Greasley, S.E.,Horton, P.A.,Beardsley, G.P.,Wilson, I.A. Crystal structures of human bifunctional enzyme aminoimidazole-4-carboxamide ribonucleotide transformylase/IMP cyclohydrolase in complex with potent sulfonyl-containing antifolates J.Biol.Chem. 2004 279 18034 18045 1N0X Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope 2002-10-15 2004-04-13 Saphire, E.O.,Montero, M.,Menendez, A.,Irving, M.B.,Zwick, M.B.,Parren, P.W.H.I.,Burton, D.R.,Scott, J.K.,Wilson, I.A. Crystal Structure of a Broadly Neutralizing Anti-HIV-1 Antibody in Complex with a Peptide Mimotope To be Published 0 0 0 0 1UB5 Crystal structure of Antibody 19G2 with hapten at 100K 2003-03-30 2004-04-20 Beuscher, A.B.,Wirsching, P.,Lerner, R.A.,Janda, K.,Stevens, R.C. Structure and Dynamics of Blue Fluorescent Antibody 19G2 at Blue and Violet Fluorescent Temperatures To be published 0 0 0 0 1UB6 Crystal structure of Antibody 19G2 with sera ligand 2003-03-30 2004-04-20 Beuscher, A.B.,Wirsching, P.,Lerner, R.A.,Janda, K.,Stevens, R.C. Structure and Dynamics of Blue Fluorescent Antibody 19G2 at Blue and Violet Fluorescent Temperatures To be published 0 0 0 0 1PEE Crystal Structure of Nitrophorin 2 complex with imidazole 2003-05-21 2004-06-01 Weihsel, A.,Montfort, W.R. Conformational change and heme ruffling in nitrophorin 2, a nitric oxide carrier from kissing bug. To be Published 0 0 0 0 1RKW 14726520 CRYSTAL STRUCTURE OF THE MULTIDRUG BINDING TRANSCRIPTIONAL REPRESSOR QACR BOUND TO PENTAMADINE 2003-11-23 2004-06-01 Murray, D.S.,Schumacher, M.A.,Brennan, R.G. Crystal structures of QacR-diamidine complexes reveal additional multidrug-binding modes and a novel mechanism of drug charge neutralization. J.Biol.Chem. 2004 279 14365 14371 1RLG 15130473 Molecular basis of Box C/D RNA-protein interaction: co-crystal structure of the Archaeal sRNP intiation complex 2003-11-25 2004-06-01 Moore, T.,Zhang, Y.,Fenley, M.O.,Li, H. Molecular Basis of Box C/D RNA-Protein Interactions; Cocrystal Structure of Archaeal L7Ae and a Box C/D RNA. STRUCTURE 2004 12 807 818 1SY2 15157102 1.0 A Crystal Structure of D129A/L130A Mutant of Nitrophorin 4 2004-03-31 2004-06-08 Maes, E.M.,Weichsel, A.,Andersen, J.F.,Shepley, D.,Montfort, W.R. Role of binding site loops in controlling nitric oxide release: structure and kinetics of mutant forms of nitrophorin 4 Biochemistry 2004 43 6679 6690 1QVU 15257299 Crystal structure of the multidrug binding transcriptional repressor QacR bound to two drugs: ethidium and proflavine 2003-08-28 2004-08-03 Schumacher, M.A.,Miller, M.C.,Brennan, R.G. Structural mechanism of the simultaneous binding of two drugs to a multidrug-binding protein Embo J. 2004 23 2923 2930 1R8E 14985361 Crystal Structure of BmrR Bound to DNA at 2.4A Resolution 2003-10-23 2004-08-17 Newberry, K.J.,Brennan, R.G. The structural mechanism for transcription activation by MerR family member multidrug transporter activation, N terminus. J.Biol.Chem. 2004 279 20356 20362 1VL5 CRYSTAL STRUCTURE OF A PUTATIVE METHYLTRANSFERASE (BH2331) FROM BACILLUS HALODURANS C-125 AT 1.95 A RESOLUTION 2004-07-09 2004-08-17 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (BH2331) from Bacillus halodurans at 1.95 A resolution To be published 0 0 0 0 1U4G Elastase of Pseudomonas aeruginosa with an inhibitor 2004-07-25 2004-08-24 Bitto, E.,McKay, D.B. Elastase of Pseudomonas aeruginosa with an inhibitor To be Published 2004 0 0 0 1VLU Crystal structure of Gamma-glutamyl phosphate reductase (yor323c) from Saccharomyces cerevisiae at 2.40 A resolution 2004-08-16 2004-08-24 Joint Center for Structural Genomics (JCSG) Crystal structure of Gamma-glutamyl phosphate reductase (yor323c) from Saccharomyces cerevisiae at 2.40 A resolution To be published 0 0 0 0 1TLL 15208315 CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION. 2004-06-09 2004-08-31 Garcin, E.D.,Bruns, C.M.,Lloyd, S.J.,Hosfield, D.J.,Tiso, M.,Gachhui, R.,Stuehr, D.J.,Tainer, J.A.,Getzoff, E.D. Structural basis for isozyme-specific regulation of electron transfer in nitric-oxide synthase J.Biol.Chem. 2004 279 37918 37927 1U54 15308621 Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-associated Tyrosine Kinase ACK1 bound to AMP-PCP 2004-07-26 2004-08-31 Lougheed, J.C.,Chen, R.H.,Mak, P.,Stout, T.J. Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the Cdc42-associated Tyrosine Kinase ACK1. J.Biol.Chem. 2004 279 44039 44045 1VLY Crystal structure of a putative aminomethyltransferase (ygfz) from escherichia coli at 1.30 A resolution 2004-08-20 2004-08-31 Joint Center for Structural Genomics (JCSG) Crystal structure of Unknown protein from 2D-page (Spot PR51) (b2898) from Escherichia coli k12 at 1.30 A resolution To be published 0 0 0 0 1VLY Crystal structure of a putative aminomethyltransferase (ygfz) from escherichia coli at 1.30 A resolution 2004-08-20 2004-08-31 Joint Center for Structural Genomics (JCSG) Crystal structure of Unknown protein from 2D-page (Spot PR51) (b2898) from Escherichia coli k12 at 1.30 A resolution To be published 0 0 0 0 1TH1 15327769 Beta-catenin in complex with a phosphorylated APC 20aa repeat fragment 2004-05-31 2004-09-07 Xing, Y.,Clements, W.K.,Le Trong, I.,Hinds, T.R.,Stenkamp, R.,Kimelman, D.,Xu, W. Crystal Structure of a beta-Catenin/APC Complex Reveals a Critical Role for APC Phosphorylation in APC Function. Mol.Cell 2004 15 523 533 1THZ 15355974 Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening 2004-06-01 2004-09-07 Xu, L.,Li, C.,Olson, A.J.,Wilson, I.A. Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening. J.Biol.Chem. 2004 279 50555 50565 1X9G 16199669 PUTATIVE MAR1 RIBONUCLEASE FROM LEISHMANIA DONOVANI 2004-08-20 2004-09-07 Caruthers, J.,Zucker, F.,Worthey, E.,Myler, P.J.,Buckner, F.,Van Voorhuis, W.,Mehlin, C.,Boni, E.,Feist, T.,Luft, J.,Gulde, S.,Lauricella, A.,Kaluzhniy, O.,Anderson, L.,Le Trong, I.,Holmes, M.A.,Earnest, T.,Soltis, M.,Hodgson, K.O.,Hol, W.G.,Merritt, E.A. Crystal structures and proposed structural/functional classification of three protozoan proteins from the isochorismatase superfamily. Protein Sci. 2005 14 2887 2894 1VL4 16104019 CRYSTAL STRUCTURE OF A PUTATIVE MODULATOR OF A DNA GYRASE (TM0727) FROM THERMOTOGA MARITIMA MSB8 AT 1.95 A RESOLUTION 2004-07-09 2004-09-21 Rife, C.,Schwarzenbacher, R.,McMullan, D.,Abdubek, P.,Ambing, E.,Axelrod, H.,Biorac, T.,Canaves, J.M.,Chiu, H.J.,Deacon, A.M.,DiDonato, M.,Elsliger, M.A.,Godzik, A.,Grittini, C.,Grzechnik, S.K.,Hale, J.,Hampton, E.,Han, G.W.,Haugen, J.,Hornsby, M.,Jaroszewski, L.,Klock, H.E.,Koesema, E.,Kreusch, A.,Kuhn, P.,Lesley, S.A.,Miller, M.D.,Moy, K.,Nigoghossian, E.,Paulsen, J.,Quijano, K.,Reyes, R.,Sims, E.,Spraggon, G.,Stevens, R.C.,van den Bedem, H.,Velasquez, J.,Vincent, J.,White, A.,Wolf, G.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Wilson, I.A. Crystal structure of a putative modulator of DNA gyrase (pmbA) from Thermotoga maritima at 1.95 A resolution reveals a new fold. Proteins 2005 61 444 448 1VLC Crystal structure of 3-isopropylmalate dehydrogenase (TM0556) from Thermotoga maritima at 1.90 A resolution 2004-07-20 2004-09-21 Joint Center for Structural Genomics (JCSG) Crystal structure of 3-isopropylmalate dehydrogenase (TM0556) from Thermotoga maritima at 1.90 A resolution To be published 0 0 0 0 1VLC Crystal structure of 3-isopropylmalate dehydrogenase (TM0556) from Thermotoga maritima at 1.90 A resolution 2004-07-20 2004-09-21 Joint Center for Structural Genomics (JCSG) Crystal structure of 3-isopropylmalate dehydrogenase (TM0556) from Thermotoga maritima at 1.90 A resolution To be published 0 0 0 0 1VLO Crystal structure of aminomethyltransferase (T protein; tetrahydrofolate-dependent) of glycine cleavage system (np417381) from Escherichia coli k12 at 1.70 A resolution 2004-08-05 2004-09-21 Joint Center for Structural Genomics (JCSG) Crystal structure of aminomethyltransferase (T protein; tetrahydrofolate-dependent) of glycine cleavage system (np417381) from Escherichia coli k12 at 1.70 A resolution To be published 0 0 0 0 1VLO Crystal structure of aminomethyltransferase (T protein; tetrahydrofolate-dependent) of glycine cleavage system (np417381) from Escherichia coli k12 at 1.70 A resolution 2004-08-05 2004-09-21 Joint Center for Structural Genomics (JCSG) Crystal structure of aminomethyltransferase (T protein; tetrahydrofolate-dependent) of glycine cleavage system (np417381) from Escherichia coli k12 at 1.70 A resolution To be published 0 0 0 0 1VM6 Crystal structure of Dihydrodipicolinate reductase (TM1520) from Thermotoga maritima at 2.27 A resolution 2004-09-03 2004-09-21 Joint Center for Structural Genomics (JCSG) Crystal structure of Dihydrodipicolinate reductase (TM1520) from Thermotoga maritima at 2.27 A resolution To be published 0 0 0 0 1WEI 15326180 Catalytic Domain Of Muty From Escherichia Coli K20A Mutant Complexed To Adenine 2004-05-25 2004-09-21 Manuel, R.C.,Hitomi, K.,Arvai, A.S.,House, P.G.,Kurtz, A.J.,Dodson, M.L.,McCullough, A.K.,Tainer, J.A.,Lloyd, R.S. Reaction intermediates in the catalytic mechanism of Escherichia coli MutY DNA glycosylase J.Biol.Chem. 2004 279 46930 46939 1VMB Crystal structure of 30S ribosomal protein S6 (TM0603) from Thermotoga maritima at 1.70 A resolution 2004-09-16 2004-10-05 Joint Center for Structural Genomics (JCSG) Crystal structure of 30S ribosomal protein S6 (TM0603) from Thermotoga maritima at 1.70 A resolution To be published 0 0 0 0 1VMF CRYSTAL STRUCTURE OF a YBJQ-LIKE FOLD PROTEIN OF UNKNOWN FUNCTION (BH3498) FROM BACILLUS HALODURANS AT 1.46 A RESOLUTION 2004-09-23 2004-10-05 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (10176122) from Bacillus halodurans at 1.46 A resolution To be published 0 0 0 0 1X8N 15504026 1.08 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Complexed With Nitric Oxide at pH 7.4 2004-08-18 2004-10-05 Kondrashov, D.A.,Roberts, S.A.,Weichsel, A.,Montfort, W.R. Protein functional cycle viewed at atomic resolution: conformational change and mobility in nitrophorin 4 as a function of pH and NO binding Biochemistry 2004 43 13637 13647 1T08 15327768 Crystal structure of beta-catenin/ICAT helical domain/unphosphorylated APC R3 2004-04-07 2004-10-12 Ha, N.-C.,Tonozuka, T.,Stamos, J.L.,Choi, H.J.,Weis, W.I. Mechanism of phosphorylation-dependent binding of APC to beta-catenin and its role in beta-catenin degradation Mol.Cell 2004 15 511 521 1VMJ CRYSTAL STRUCTURE OF A PUTATIVE THIAMIN PHOSPHATE SYNTHASE (TM0723) FROM THERMOTOGA MARITIMA MSB8 AT 1.52 A RESOLUTION 2004-09-30 2004-10-12 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (TM0723) from Thermotoga maritima at 1.52 A resolution To be published 0 0 0 0 1XIQ Plasmodium falciparum Nucleoside diphosphate kinase B 2004-09-21 2004-10-12 Robien, M.A.,Bosch, J.,Hol, W.G.J.,Structural Genomics of Pathogenic Protozoa Consortium Crystal structure of Nucleoside diphosphate kinase B from Plasmodium falciparum To be Published 0 0 0 0 1UO4 16008357 Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles 2003-09-15 2004-10-13 Yadav, M.K.,Redman, J.E.,Leman, L.J.,Alvarez-Gutierrez, J.M.,Zhang, Y.,Stout, C.D.,Ghadiri, M.R. Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry 2005 44 9723 0 1VPB CRYSTAL STRUCTURE OF A PUTATIVE MODULATOR OF DNA GYRASE (BT3649) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 1.75 A RESOLUTION 2004-10-15 2004-11-09 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative modulator of DNA gyrase (bt3649) from Bacteroides thetaiotaomicron vpi-5482 at 1.75 A resolution To be Published 0 0 0 0 1R9S 15537538 RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX, MATCHED NUCLEOTIDE 2003-10-30 2004-11-16 Westover, K.D.,Bushnell, D.A.,Kornberg, R.D. Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center. Cell(Cambridge,Mass.) 2004 119 481 489 1R9T 15537538 RNA POLYMERASE II STRAND SEPARATED ELONGATION COMPLEX, MISMATCHED NUCLEOTIDE 2003-10-30 2004-11-16 Westover, K.D.,Bushnell, D.A.,Kornberg, R.D. Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center. Cell(Cambridge,Mass.) 2004 119 481 489 1RE9 15522298 CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM WITH A FLUORESCENT PROBE D-8-AD (ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE) 2003-11-06 2004-11-16 Hays, A.M.,Dunn, A.R.,Chiu, R.,Gray, H.B.,Stout, C.D.,Goodin, D.B. Conformational states of cytochrome P450cam revealed by trapping of synthetic molecular wires. J.Mol.Biol. 2004 344 455 469 1RF9 15522298 Crystal structure of cytochrome P450-cam with a fluorescent probe D-4-AD (Adamantane-1-carboxylic acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide) 2003-11-07 2004-11-16 Hays, A.-M.A.,Dunn, A.R.,Chiu, R.,Gray, H.B.,Stout, C.D.,Goodin, D.B. Conformational States of Cytochrome P450cam Revealed by Trapping of synthetic Molecular Wires J.Mol.Biol. 2004 344 455 469 1TWA 15537538 RNA polymerase II complexed with ATP 2004-06-30 2004-11-16 Westover, K.D.,Bushnell, D.A.,Kornberg, R.D. Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center. Cell(Cambridge,Mass.) 2004 119 481 489 1TWC 15537538 RNA polymerase II complexed with GTP 2004-06-30 2004-11-16 Westover, K.D.,Bushnell, D.A.,Kornberg, R.D. Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center. Cell(Cambridge,Mass.) 2004 119 481 489 1TWF 15537538 RNA polymerase II complexed with UTP at 2.3 A resolution 2004-06-30 2004-11-16 Westover, K.D.,Bushnell, D.A.,Kornberg, R.D. Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center. Cell(Cambridge,Mass.) 2004 119 481 489 1TWG 15537538 RNA polymerase II complexed with CTP 2004-06-30 2004-11-16 Westover, K.D.,Bushnell, D.A.,Kornberg, R.D. Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center. Cell(Cambridge,Mass.) 2004 119 481 489 1TWH 15537538 RNA polymerase II complexed with 2'dATP 2004-06-30 2004-11-16 Westover, K.D.,Bushnell, D.A.,Kornberg, R.D. Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center. Cell(Cambridge,Mass.) 2004 119 481 489 1VPQ CRYSTAL STRUCTURE OF a DUF72 family protein (TM1631) FROM THERMOTOGA MARITIMA MSB8 AT 2.20 A RESOLUTION 2004-11-16 2004-11-23 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (TM1631) from Thermotoga maritima at 2.20 A resolution To be published 0 0 0 0 1U9K 15561137 Crystal Structure of Mouse Triggering Receptor Expressed on Myeloid Cells 1 (TREM-1) at 1.76 2004-08-09 2004-12-14 Kelker, M.S.,Debler, E.W.,Wilson, I.A. Crystal Structure of Mouse Triggering Receptor Expressed on Myeloid Cells 1 (TREM-1) at 1.76A J.Mol.Biol. 2004 344 1175 1181 1YFR 15657145 crystal structure of alanyl-tRNA synthetase in complex with ATP and magnesium 2005-01-03 2005-01-25 Swairjo, M.A.,Schimmel, P.R. Breaking sieve for steric exclusion of a noncognate amino acid from active site of a tRNA synthetase. Proc.Natl.Acad.Sci.USA 2005 102 988 993 1YFT 15657145 The crystal structure of the catalytic fragment of alanyl-tRNA synthetase in complex wtih glycine 2005-01-03 2005-01-25 Swairjo, M.A.,Schimmel, P.R. Breaking sieve for steric exclusion of a noncognate amino acid from active site of a tRNA synthetase. Proc.Natl.Acad.Sci.USA 2005 102 988 993 1YGB 15657145 Crystal Structure of the catalytic fragment of alanyl-tRNA synthetase in complex with L-serine 2005-01-04 2005-01-25 Swairjo, M.A.,Schimmel, P.R. Breaking sieve for steric exclusion of a noncognate amino acid from active site of a tRNA synthetase. Proc.Natl.Acad.Sci.USA 2005 102 988 993 1YUC 15723037 Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP 2005-02-13 2005-03-01 Ortlund, E.A.,Lee, Y.,Solomon, I.H.,Hager, J.M.,Safi, R.,Choi, Y.,Guan, Z.,Tripathy, A.,Raetz, C.R.H.,McDonnell, D.P.,Moore, D.D.,Redinbo, M.R. Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP Nat.Struct.Mol.Biol. 2005 12 357 363 1XME 15735345 Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus 2004-10-01 2005-03-22 Hunsicker-Wang, L.M.,Pacoma, R.L.,Chen, Y.,Fee, J.A.,Stout, C.D. A novel cryoprotection scheme for enhancing the diffraction of crystals of recombinant cytochrome ba3 oxidase from Thermus thermophilus. Acta Crystallogr.,Sect.D 2005 61 340 343 1Z8L 15837926 Crystal structure of prostate-specific membrane antigen, a tumor marker and peptidase 2005-03-30 2005-04-19 Davis, M.I.,Bennett, M.J.,Thomas, L.M.,Bjorkman, P.J. Crystal structure of prostate-specific membrane antigen, a tumor marker and peptidase Proc.Natl.Acad.Sci.USA 2005 102 5981 5986 1XU5 15839679 Soluble methane monooxygenase hydroxylase-phenol soaked 2004-10-25 2005-05-03 Sazinsky, M.H.,Lippard, S.J. Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc. 2005 127 5814 5825 1XVB 15839679 soluble methane monooxygenase hydroxylase: 6-bromohexanol soaked structure 2004-10-27 2005-05-03 Sazinsky, M.H.,Lippard, S.J. Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc. 2005 127 5814 5825 1XVC 15839679 soluble methane monooxygenase hydroxylase: 8-bromooctanol soaked structure 2004-10-27 2005-05-03 Sazinsky, M.H.,Lippard, S.J. Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc. 2005 127 5814 5825 1XVE 15839679 soluble methane monooxygenase hydroxylase: 3-bromo-3-butenol soaked structure 2004-10-27 2005-05-03 Sazinsky, M.H.,Lippard, S.J. Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc. 2005 127 5814 5825 1XVF 15839679 soluble methane monooxygenase hydroxylase: chloropropanol soaked structure 2004-10-27 2005-05-03 Sazinsky, M.H.,Lippard, S.J. Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc. 2005 127 5814 5825 1ZKO Crystal structure of Glycine cleavage system H protein (tm0212) from Thermotoga maritima at 1.65 A resolution 2005-05-03 2005-05-10 Joint Center for Structural Genomics (JCSG) Crystal structure of Glycine cleavage system H protein (tm0212) from Thermotoga maritima at 1.65 A resolution To be published 0 0 0 0 1Z92 15933202 structure of interleukin-2 with its alpha receptor 2005-03-31 2005-06-07 Rickert, M.,Wang, X.,Boulanger, M.J.,Goriatcheva, N.,Garcia, K.C. The structure of interleukin-2 complexed with its alpha receptor. Science 2005 308 1477 1480 1RBQ Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid 2003-11-03 2005-06-14 Zhang, Y.,Desharnais, J.,Boger, D.L.,Wilson, I.A. Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid To be Published 0 0 0 0 1RBY Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid and substrate beta-GAR 2003-11-03 2005-06-14 Zhang, Y.,Desharnais, J.,Boger, D.L.,Wilson, I.A. Human GAR Tfase complex structure To be Published 0 0 0 0 1RBZ Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid 2003-11-03 2005-06-14 Zhang, Y.,Desharnais, J.,Boger, D.L.,Wilson, I.A. Human GAR Tfase complex structure To be Published 0 0 0 0 1ZC4 15920473 Crystal structure of the Ral-binding domain of Exo84 in complex with the active RalA 2005-04-10 2005-06-14 Jin, R.,Junutula, J.R.,Matern, H.T.,Ervin, K.E.,Scheller, R.H.,Brunger, A.T. Exo84 and Sec5 are competitive regulatory Sec6/8 effectors to the RalA GTPase. Embo J. 2005 24 2064 2074 1ZTV Crystal structure of a duf72 family protein (ef0366) from enterococcus faecalis v583 at 3.10 A resolution 2005-05-27 2005-06-14 Joint Center for Structural Genomics (JCSG) Crystal structure of (29342463) from Enterococcus faecalis V583 at 3.10 A resolution To be published 0 0 0 0 1ZIW 15961631 Human Toll-like Receptor 3 extracellular domain structure 2005-04-27 2005-06-28 Choe, J.,Kelker, M.S.,Wilson, I.A. Crystal structure of human toll-like receptor 3 (TLR3) ectodomain. Science 2005 309 581 585 1ZIW 15961631 Human Toll-like Receptor 3 extracellular domain structure 2005-04-27 2005-06-28 Choe, J.,Kelker, M.S.,Wilson, I.A. Crystal structure of human toll-like receptor 3 (TLR3) ectodomain. Science 2005 309 581 585 1ZTC Crystal structure of a putative metallo-beta-lactamase (tm0894) from Thermotoga maritima at 2.10 A resolution 2005-05-26 2005-06-28 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (tm0894) from Thermotoga maritima at 2.10 A resolution To be published 0 0 0 0 1Z5R 15982000 Crystal Structure of Activated Porcine Pancreatic Carboxypeptidase B 2005-03-18 2005-07-12 Adler, M.,Bryant, J.,Buckman, B.,Islam, I.,Larsen, B.,Finster, S.,Kent, L.,May, K.,Mohan, R.,Yuan, S.,Whitlow, M. Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b. Biochemistry 2005 44 9339 9347 1ZY9 Crystal structure of Alpha-galactosidase (EC 3.2.1.22) (Melibiase) (tm1192) from Thermotoga maritima at 2.34 A resolution 2005-06-09 2005-07-12 Joint Center for Structural Genomics (JCSG) Crystal structure of alpha-galactosidase (ec 3.2.1.22) (melibiase) (tm1192) from Thermotoga maritima at 2.34 A resolution to be published 0 0 0 0 2A77 Anti-Cocaine Antibody 7.5.21, Crystal Form II 2005-07-04 2005-07-12 Pozharski, E.,Hewagama, A.,Shanafelt, A.,Ringe, D.,Petsko, G.A. Flexibility of Packing: Four Crystal Forms of an Anti-Cocaine Antibody 7.5.21 To be Published 0 0 0 0 2A6A 20944216 Crystal structure of Glycoprotein endopeptidase (tm0874) from THERMOTOGA MARITIMA at 2.50 A resolution 2005-07-02 2005-07-19 Xu, Q.,McMullan, D.,Jaroszewski, L.,Krishna, S.S.,Elsliger, M.A.,Yeh, A.P.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Carlton, D.,Chiu, H.J.,Clayton, T.,Duan, L.,Feuerhelm, J.,Grant, J.,Han, G.W.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Miller, M.D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Paulsen, J.,Reyes, R.,Rife, C.L.,van den Bedem, H.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structure of an essential bacterial protein YeaZ (TM0874) from Thermotoga maritima at 2.5 A resolution. Acta Crystallogr.,Sect.F 2010 66 1230 1236 1ZKG 17444523 Crystal structure of Transcriptional regulator, TETR family (tm1030) from Thermotoga maritima at 2.30 A resolution 2005-05-02 2005-07-26 Premkumar, L.,Rife, C.L.,Sri Krishna, S.,McMullan, D.,Miller, M.D.,Abdubek, P.,Ambing, E.,Astakhova, T.,Axelrod, H.L.,Canaves, J.M.,Carlton, D.,Chiu, H.J.,Clayton, T.,DiDonato, M.,Duan, L.,Elsliger, M.A.,Feuerhelm, J.,Floyd, R.,Grzechnik, S.K.,Hale, J.,Hampton, E.,Han, G.W.,Haugen, J.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Koesema, E.,Kovarik, J.S.,Kreusch, A.,Levin, I.,McPhillips, T.M.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Paulsen, J.,Quijano, K.,Reyes, R.,Rezezadeh, F.,Rodionov, D.,Schwarzenbacher, R.,Spraggon, G.,van den Bedem, H.,White, A.,Wolf, G.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Crystal structure of TM1030 from Thermotoga maritima at 2.3 A resolution reveals molecular details of its transcription repressor function. Proteins 2007 68 418 424 2AAM Crystal structure of a putative glycosidase (tm1410) from thermotoga maritima at 2.20 A resolution 2005-07-13 2005-07-26 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (tm1410) from THERMOTOGA MARITIMA at 2.20 A resolution To be published 0 0 0 0 2AI0 Anti-Cocaine Antibody 7.5.21, Crystal Form III 2005-07-28 2005-08-09 Pozharski, E.,Hewagama, A.,Shanafelt, A.,Ringe, D.,Petsko, G.A. Flexibility of Packing: Four Crystal Forms of an Anti-Cocaine Antibody 7.5.21 To be Published 0 0 0 0 1Z10 16086027 Crystal Structure of Human Microsomal P450 2A6 with Coumarin Bound 2005-03-02 2005-08-16 Yano, J.K.,Hsu, M.H.,Griffin, K.J.,Stout, C.D.,Johnson, E.F. Structures of human microsomal cytochrome P450 2A6 complexed with coumarin and methoxsalen Nat.Struct.Mol.Biol. 2005 12 822 823 2A7M 16087890 1.6 Angstrom Resolution Structure of the Quorum-Quenching N-Acyl Homoserine Lactone Hydrolase of Bacillus thuringiensis 2005-07-05 2005-08-16 Liu, D.,Lepore, B.W.,Petsko, G.A.,Thomas, P.W.,Stone, E.M.,Fast, W.,Ringe, D. Three-dimensional structure of the quorum-quenching N-acyl homoserine lactone hydrolase from Bacillus thuringiensis Proc.Natl.Acad.Sci.Usa 2005 102 11882 11887 1YB0 16103125 Structure of PlyL 2004-12-18 2005-08-23 Low, L.Y.,Yang, C.,Perego, M.,Osterman, A.,Liddington, R.C. Structure and lytic activity of a Bacillus anthracis prophage endolysin J.Biol.Chem. 2005 280 35433 35439 2AB0 16181642 Crystal Structure of E. coli protein YajL (ThiJ) 2005-07-14 2005-10-11 Wilson, M.A.,Ringe, D.,Petsko, G.A. The Atomic Resolution Crystal Structure of the YajL (ThiJ) Protein from Escherichia coli: A Close Prokaryotic Homologue of the Parkinsonism-associated Protein DJ-1. J.Mol.Biol. 2005 353 678 691 2AJR Crystal structure of Possible 1-phosphofructokinase (EC 2.7.1.56) (tm0828) from Thermotoga Maritima at 2.46 A resolution 2005-08-02 2005-10-11 Joint Center for Structural Genomics (JCSG) Crystal structure of Possible 1-phosphofructokinase (EC 2.7.1.56) (tm0828) from THERMOTOGA MARITIMA at 2.46 A resolution To be published 0 0 0 0 2AZ0 16228003 Flock House virus B2-dsRNA Complex (P212121) 2005-09-09 2005-10-11 Chao, J.A.,Lee, J.H.,Chapados, B.R.,Debler, E.W.,Schneemann, A.,Williamson, J.R. Dual modes of RNA-silencing suppression by Flock House virus protein B2. Nat.Struct.Mol.Biol. 2005 12 952 957 2AZ2 16228003 Flock House virus B2-dsRNA Complex (P4122) 2005-09-09 2005-10-11 Chao, J.A.,Lee, J.H.,Chapados, B.R.,Debler, E.W.,Schneemann, A.,Williamson, J.R. Dual modes of RNA-silencing suppression by Flock House virus protein B2. Nat.Struct.Mol.Biol. 2005 12 952 957 2B4A Crystal structure of a response regulator receiver domain protein (bh3024) from bacillus halodurans c-125 at 2.42 A resolution 2005-09-23 2005-10-11 Joint Center for Structural Genomics (JCSG) Crystal structure of BH3024 protein (10175646) from BACILLUS HALODURANS at 2.42 A resolution To be published 0 0 0 0 2ANU Crystal structure of Predicted metal-dependent phosphoesterase (PHP family) (tm0559) from THERMOTOGA MARITIMA at 2.40 A resolution 2005-08-11 2005-10-18 Joint Center for Structural Genomics (JCSG) Crystal structure of Predicted metal-dependent phosphoesterase (PHP family) (tm0559) from THERMOTOGA MARITIMA at 2.40 A resolution To be published 0 0 0 0 2AVN CRYSTAL STRUCTURE OF A UBIQUINONE/MENAQUINONE BIOSYNTHESIS METHYLTRANSFERASE-RELATED PROTEIN (TM1389) FROM THERMOTOGA MARITIMA MSB8 AT 2.35 A RESOLUTION 2005-08-30 2005-10-18 Joint Center for Structural Genomics (JCSG) Crystal structure of Ubiquinone/menaquinone biosynthesis methyltransferase-related protein (tm1389) from THERMOTOGA MARITIMA at 2.35 A resolution To be published 0 0 0 0 2AJ7 Crystal structure of a putative contractile protein (bh3618) from bacillus halodurans at 1.67 A resolution 2005-08-01 2005-11-15 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (10176242) from Bacillus halodurans at 1.67 A resolution To be published 0 0 0 0 2F01 16699183 Epi-biotin complex with core streptavidin 2005-11-10 2005-11-29 Le Trong, I.,Aubert, D.G.,Thomas, N.R.,Stenkamp, R.E. The high-resolution structure of (+)-epi-biotin bound to streptavidin. Acta Crystallogr.,Sect.D 2006 62 576 581 1ZC0 16226275 Crystal structure of human hematopoietic tyrosine phosphatase (HePTP) catalytic domain 2005-04-09 2005-12-06 Mustelin, T.,Tautz, L.,Page, R. Structure of the hematopoietic tyrosine phosphatase (HePTP) catalytic domain: structure of a KIM phosphatase with phosphate bound at the active site. J.Mol.Biol. 2005 354 150 163 2AKR 16314439 Structural basis of sulfatide presentation by mouse CD1d 2005-08-03 2005-12-06 Zajonc, D.M.,Maricic, I.,Wu, D.,Halder, R.,Roy, K.,Wong, C.-H.,Kumar, V.,Wilson, I.A. Structural basis for CD1d presentation of a sulfatide derived from myelin and its implications for autoimmunity J.Exp.Med. 2005 202 1517 1526 2FRP 17098191 Bacteriophage HK97 Expansion Intermediate IV 2006-01-19 2006-02-07 Gan, L.,Speir, J.A.,Conway, J.F.,Lander, G.,Cheng, N.,Firek, B.A.,Hendrix, R.W.,Duda, R.L.,Liljas, L.,Johnson, J.E. Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM. Structure 2006 14 1655 1665 2FSY 17098191 Bacteriophage HK97 Pepsin-treated Expansion Intermediate IV 2006-01-23 2006-02-07 Gan, L.,Speir, J.A.,Conway, J.F.,Lander, G.,Cheng, N.,Firek, B.A.,Hendrix, R.W.,Duda, R.L.,Liljas, L.,Johnson, J.E. Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM. Structure 2006 14 1655 1665 2ACF 16271890 NMR STRUCTURE OF SARS-COV NON-STRUCTURAL PROTEIN NSP3A (SARS1) FROM SARS CORONAVIRUS 2005-07-18 2006-02-14 Saikatendu, K.S.,Joseph, J.S.,Subramanian, V.,Clayton, T.,Griffith, M.,Moy, K.,Velasquez, J.,Neuman, B.W.,Buchmeier, M.J.,Stevens, R.C.,Kuhn, P. Structural basis of severe acute respiratory syndrome coronavirus ADP-ribose-1''-phosphate dephosphorylation by a conserved domain of nsP3. Structure 2005 13 1665 1675 2FL5 16537445 Cofactor-containing antibodies: Crystal structure of the original yellow antibody 2006-01-05 2006-02-21 Zhu, X.,Wentworth, P.,Kyle, R.A.,Lerner, R.A.,Wilson, I.A. Cofactor-containing antibodies: Crystal structure of the original yellow antibody. Proc.Natl.Acad.Sci.Usa 2006 103 3581 3585 2AZ9 16403521 HIV-1 Protease NL4-3 1X mutant 2005-09-09 2006-02-28 Heaslet, H.,Kutilek, V.,Morris, G.M.,Lin, Y.-C.,Elder, J.H.,Torbett, B.E.,Stout, C.D. Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3 J.Mol.Biol. 2006 356 967 981 2G0T Crystal structure of a putative nucleotide binding protein (tm0796) from Thermotoga maritima at 2.67 A resolution 2006-02-13 2006-02-28 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (tm0796) from Thermotoga maritima at 2.67 A resolution To be published 0 0 0 0 2FCL Crystal structure of a putative nucleotidyltransferase (tm1012) from Thermotoga maritima at 1.35 A resolution 2005-12-12 2006-03-14 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (tm1012) from Thermotoga maritima at 1.35 A resolution To be published 0 0 0 0 2GB3 Crystal structure of Aspartate aminotransferase (tm1698) from Thermotoga maritima at 2.50 A resolution 2006-03-09 2006-03-21 Joint Center for Structural Genomics (JCSG) Crystal structure of Aspartate aminotransferase (tm1698) from Thermotoga maritima at 2.50 A resolution To be published 0 0 0 0 2GC9 Crystal structure of p-coumaric acid decarboxylase (NP_786857.1) from Lactobacillus plantarum at 1.70 A resolution 2006-03-13 2006-03-21 Joint Center for Structural Genomics (JCSG) Crystal structure of p-coumaric acid decarboxylase (NP_786857.1) from Lactobacillus plantarum at 1.70 A resolution To be published 0 0 0 0 2CCE 16584182 Parallel Configuration of pLI E20S 2006-01-16 2006-04-06 Yadav, M.K.,Leman, L.J.,Price, D.J.,Brooks 3rd, C.L.,Stout, C.D.,Ghadiri, M.R. Coiled coils at the edge of configurational heterogeneity. Structural analyses of parallel and antiparallel homotetrameric coiled coils reveal configurational sensitivity to a single solvent-exposed amino acid substitution. Biochemistry 2006 45 4463 4473 2CCF 16584182 Antiparallel Configuration of pLI E20S 2006-01-16 2006-04-06 Yadav, M.K.,Leman, L.J.,Price, D.J.,Brooks 3rd, C.L.,Stout, C.D.,Ghadiri, M.R. Coiled coils at the edge of configurational heterogeneity. Structural analyses of parallel and antiparallel homotetrameric coiled coils reveal configurational sensitivity to a single solvent-exposed amino acid substitution. Biochemistry 2006 45 4463 4473 2GHS CRYSTAL STRUCTURE OF A CALCIUM-BINDING PROTEIN, REGUCALCIN (AGR_C_1268) FROM AGROBACTERIUM TUMEFACIENS STR. C58 AT 1.55 A RESOLUTION 2006-03-27 2006-04-11 Joint Center for Structural Genomics (JCSG) Crystal structure of Calcium-binding protein, regucalcin (15155668) from AGROBACTERIUM TUMEFACIENS at 1.55 A resolution To be published 0 0 0 0 1YK0 16870210 structure of natriuretic peptide receptor-C complexed with atrial natriuretic peptide 2005-01-16 2006-04-18 He, X.L.,Dukkipati, A.,Garcia, K.C. Structural determinants of natriuretic peptide receptor specificity and degeneracy. J.Mol.Biol. 2006 361 698 714 1YK1 16870210 structure of natriuretic peptide receptor-C complexed with brain natriuretic peptide 2005-01-16 2006-04-18 He, X.L.,Dukkipati, A.,Garcia, K.C. Structural determinants of natriuretic peptide receptor specificity and degeneracy. J.Mol.Biol. 2006 361 698 714 2FZ4 16600867 Crystal Structure of the N-terminal half of Archaeoglobus Fulgidus XPB 2006-02-09 2006-04-18 Fan, L.,Arvai, A.S.,Cooper, P.K.,Iwai, S.,Hanaoka, F.,Tainer, J.A. Conserved XPB Core Structure and Motifs for DNA Unwinding: Implications for Pathway Selection of Transcription or Excision Repair. Mol.Cell 2006 22 27 37 2G16 16594705 Structure of S65A Y66S GFP variant after backbone fragmentation 2006-02-13 2006-04-18 Barondeau, D.P.,Kassmann, C.J.,Tainer, J.A.,Getzoff, E.D. Understanding GFP Posttranslational Chemistry: Structures of Designed Variants that Achieve Backbone Fragmentation, Hydrolysis, and Decarboxylation. J.Am.Chem.Soc. 2006 128 4685 4693 2G2S 16594705 Structure of S65G Y66S GFP variant after spontaneous peptide hydrolysis 2006-02-16 2006-04-18 Barondeau, D.P.,Kassmann, C.J.,Tainer, J.A.,Getzoff, E.D. Understanding GFP Posttranslational Chemistry: Structures of Designed Variants that Achieve Backbone Fragmentation, Hydrolysis, and Decarboxylation. J.Am.Chem.Soc. 2006 128 4685 4693 2G3D 16594705 Structure of S65G Y66A GFP variant after spontaneous peptide hydrolysis 2006-02-17 2006-04-18 Barondeau, D.P.,Kassmann, C.J.,Tainer, J.A.,Getzoff, E.D. Understanding GFP Posttranslational Chemistry: Structures of Designed Variants that Achieve Backbone Fragmentation, Hydrolysis, and Decarboxylation. J.Am.Chem.Soc. 2006 128 4685 4693 2GH7 16699183 Epi-biotin complex with core streptavidin 2006-03-26 2006-04-18 Le Trong, I.,Aubert, D.G.,Thomas, N.R.,Stenkamp, R.E. The high-resolution structure of (+)-epi-biotin bound to streptavidin. Acta Crystallogr.,Sect.D 2006 62 576 581 2GNO Crystal structure of a dna polymerase iii, gamma subunit-related protein (tm0771) from thermotoga maritima msb8 at 2.00 A resolution 2006-04-10 2006-04-18 Joint Center for Structural Genomics (JCSG) Crystal structure of DNA polymerase III, gamma subunit-related protein (tm0771) from Thermotoga maritima at 2.00 A resolution To be published 0 0 0 0 2GO7 CRYSTAL STRUCTURE OF A HYDROLASE FROM HALOACID DEHALOGENASE-LIKE FAMILY (SP_2064) FROM STREPTOCOCCUS PNEUMONIAE TIGR4 AT 2.10 A RESOLUTION 2006-04-12 2006-05-23 Joint Center for Structural Genomics (JCSG) Crystal structure of (np_346487.1) from Streptococcus pneumoniae TIGR4 at 2.10 A resolution To be published 0 0 0 0 2H1T 20944213 Crystal structure of a duf1089 family protein (pa1994) from pseudomonas aeruginosa at 1.80 A resolution 2006-05-16 2006-05-30 Bakolitsa, C.,Kumar, A.,McMullan, D.,Krishna, S.S.,Miller, M.D.,Carlton, D.,Najmanovich, R.,Abdubek, P.,Astakhova, T.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Elias, Y.,Feuerhelm, J.,Grant, J.C.,Grzechnik, S.K.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Marciano, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Paulsen, J.,Reyes, R.,Rife, C.L.,Trout, C.V.,van den Bedem, H.,Weekes, D.,White, A.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. The structure of the first representative of Pfam family PF06475 reveals a new fold with possible involvement in glycolipid metabolism. Acta Crystallogr.,Sect.F 2010 66 1211 1217 2GPJ CRYSTAL STRUCTURE OF A SIDEROPHORE-INTERACTING PROTEIN (SPUTCN32_0076) FROM SHEWANELLA PUTREFACIENS CN-32 AT 2.20 A RESOLUTION 2006-04-17 2006-06-13 Joint Center for Structural Genomics (JCSG) Crystal structure of siderophore-interacting protein (ZP_00813641.1) from Shewanella putrefaciens CN-32 at 2.20 A resolution To be published 0 0 0 0 2GVI 20944230 Crystal structure of a putative formylmethanofuran dehydrogenase subunit e (ta1109) from thermoplasma acidophilum at 1.87 A resolution 2006-05-02 2006-06-13 Axelrod, H.L.,Das, D.,Abdubek, P.,Astakhova, T.,Bakolitsa, C.,Carlton, D.,Chen, C.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Ellrott, K.,Farr, C.L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Lam, W.W.,Marciano, D.,McMullan, D.,Miller, M.D.,Morse, A.T.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Puckett, C.,Reyes, R.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Wooten, T.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structures of three members of Pfam PF02663 (FmdE) implicated in microbial methanogenesis reveal a conserved alpha+beta core domain and an auxiliary C-terminal treble-clef zinc finger. Acta Crystallogr.,Sect.F 2010 66 1335 1346 2FAF 16819824 The structure of chicken mitochondrial PEPCK. 2005-12-07 2006-06-27 Holyoak, T.,Sullivan, S.M.,Nowak, T. Structural Insights into the Mechanism of PEPCK Catalysis Biochemistry 2006 45 8254 8263 2GYR 16765900 Crystal structure of human artemin 2006-05-09 2006-06-27 Wang, X.,Baloh, R.H.,Milbrandt, J.,Garcia, K.C. Structure of Artemin Complexed with Its Receptor GFRalpha3: Convergent Recognition of Glial Cell Line-Derived Neurotrophic Factors. Structure 2006 14 1083 1092 2GYZ 16765900 Crystal structure of human artemin 2006-05-10 2006-06-27 Wang, X.,Baloh, R.H.,Milbrandt, J.,Garcia, K.C. Structure of Artemin Complexed with Its Receptor GFRalpha3: Convergent Recognition of Glial Cell Line-Derived Neurotrophic Factors. Structure 2006 14 1083 1092 2B1A 16731948 Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG1033 peptide 2005-09-15 2006-07-04 Stanfield, R.L.,Gorny, M.K.,Zolla-Pazner, S.,Wilson, I.A. Crystal structures of human immunodeficiency virus type 1 (HIV-1) neutralizing antibody 2219 in complex with three different V3 peptides reveal a new binding mode for HIV-1 cross-reactivity. J.Virol. 2006 80 6093 6105 2H6C 16803881 Crystal structure of reduced CprK in absence of any ligand 2006-05-31 2006-07-04 Joyce, M.G.,Levy, C.,Pop, S.M.,Biehl, B.D.,Doukov, T.I.,Ryter, J.M.,Mazon, H.,Smidt, H.,van den Heuvel, R.H.,Ragsdale, S.W.,van der Oost, J.,Leys, D. CprK Crystal Structures Reveal Mechanism for Transcriptional Control of Halorespiration. J.Biol.Chem. 2006 281 28318 28325 2HG4 16844787 Structure of the ketosynthase-acyltransferase didomain of module 5 from DEBS. 2006-06-26 2006-07-11 Tang, Y.,Kim, C.Y.,Mathews, I.I.,Cane, D.E.,Khosla, C. The 2.7-A crystal structure of a 194-kDa homodimeric fragment of the 6-deoxyerythronolide B synthase. Proc.Natl.Acad.Sci.Usa 2006 103 11124 11129 2IUW 16858410 Crystal structure of human ABH3 in complex with iron ion and 2- oxoglutarate 2006-06-07 2006-07-26 Sundheim, O.,Vagbo, C.B.,Bjoras, M.,Desousa, M.M.L.,Talstad, V.,Aas, P.A.,Drablos, F.,Krokan, H.E.,Tainer, J.A.,Slupphaug, G. Human Abh3 Structure and Key Residues for Oxidative Demethylation to Reverse DNA/RNA Damage. Embo J. 2006 25 3389 0 2HAG 17654545 Crystal structure of a putative dyp-type peroxidase protein (so_0740) from shewanella oneidensis at 2.75 A resolution 2006-06-12 2006-08-08 Zubieta, C.,Krishna, S.S.,Kapoor, M.,Kozbial, P.,McMullan, D.,Axelrod, H.L.,Miller, M.D.,Abdubek, P.,Ambing, E.,Astakhova, T.,Carlton, D.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Elsliger, M.A.,Feuerhelm, J.,Grzechnik, S.K.,Hale, J.,Hampton, E.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kumar, A.,Marciano, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Reyes, R.,Rife, C.L.,Schimmel, P.,van den Bedem, H.,Weekes, D.,White, A.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Crystal structures of two novel dye-decolorizing peroxidases reveal a beta-barrel fold with a conserved heme-binding motif. Proteins 2007 69 223 233 2HBO Crystal structure of a thioesterase superfamily protein (cc_3309) from caulobacter vibrioides at 1.85 A resolution 2006-06-14 2006-08-08 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (np_422103.1) from Caulobacter crescentus at 1.85 A resolution To be published 0 0 0 0 2HBW 19217401 Crystal structure of a putative endopeptidase (ava_3396) from anabaena variabilis atcc 29413 at 1.05 A resolution 2006-06-14 2006-08-08 Xu, Q.,Sudek, S.,McMullan, D.,Miller, M.D.,Geierstanger, B.,Jones, D.H.,Krishna, S.S.,Spraggon, G.,Bursalay, B.,Abdubek, P.,Acosta, C.,Ambing, E.,Astakhova, T.,Axelrod, H.L.,Carlton, D.,Caruthers, J.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Elias, Y.,Elsliger, M.A.,Feuerhelm, J.,Grzechnik, S.K.,Hale, J.,Won Han, G.,Haugen, J.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Kumar, A.,Marciano, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Paulsen, J.,Reyes, R.,Rife, C.L.,Trout, C.V.,van den Bedem, H.,Weekes, D.,White, A.,Wolf, G.,Zubieta, C.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structural Basis of Murein Peptide Specificity of a gamma-D-Glutamyl-L-Diamino Acid Endopeptidase. Structure 2009 17 303 313 2HUJ 18324683 Crystal structure of a protein of uknown function (NP_471338.1) from Listeria innocua at 1.74 A resolution 2006-07-26 2006-08-08 Kozbial, P.,Xu, Q.,Chiu, H.J.,McMullan, D.,Krishna, S.S.,Miller, M.D.,Abdubek, P.,Acosta, C.,Astakhova, T.,Axelrod, H.L.,Carlton, D.,Clayton, T.,Deller, M.,Duan, L.,Elias, Y.,Elsliger, M.A.,Feuerhelm, J.,Grzechnik, S.K.,Hale, J.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Koesema, E.,Kumar, A.,Marciano, D.,Morse, A.T.,Murphy, K.D.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Reyes, R.,Rife, C.L.,Spraggon, G.,Trout, C.V.,van den Bedem, H.,Weekes, D.,White, A.,Wolf, G.,Zubieta, C.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Crystal structures of MW1337R and lin2004: representatives of a novel protein family that adopt a four-helical bundle fold. Proteins 2008 71 1589 1596 2HUJ 18324683 Crystal structure of a protein of uknown function (NP_471338.1) from Listeria innocua at 1.74 A resolution 2006-07-26 2006-08-08 Kozbial, P.,Xu, Q.,Chiu, H.J.,McMullan, D.,Krishna, S.S.,Miller, M.D.,Abdubek, P.,Acosta, C.,Astakhova, T.,Axelrod, H.L.,Carlton, D.,Clayton, T.,Deller, M.,Duan, L.,Elias, Y.,Elsliger, M.A.,Feuerhelm, J.,Grzechnik, S.K.,Hale, J.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Koesema, E.,Kumar, A.,Marciano, D.,Morse, A.T.,Murphy, K.D.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Reyes, R.,Rife, C.L.,Spraggon, G.,Trout, C.V.,van den Bedem, H.,Weekes, D.,White, A.,Wolf, G.,Zubieta, C.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Crystal structures of MW1337R and lin2004: representatives of a novel protein family that adopt a four-helical bundle fold. Proteins 2008 71 1589 1596 2HDO Crystal structure of putative phosphoglycolate phosphatase (np_784602.1) from Lactobacillus plantarum at 1.50 A resolution 2006-06-20 2006-08-15 Joint Center for Structural Genomics (JCSG) Crystal structure of putative phosphoglycolate phosphatase (np_784602.1) from Lactobacillus plantarum at 1.50 A resolution To be published 0 0 0 0 2HXV Crystal structure of a diaminohydroxyphosphoribosylaminopyrimidine deaminase/ 5-amino-6-(5-phosphoribosylamino)uracil reductase (tm1828) from thermotoga maritima at 1.80 A resolution 2006-08-04 2006-08-15 Joint Center for Structural Genomics (JCSG) Crystal structure of Diaminohydroxyphosphoribosylaminopyrimidine deaminase/ 5-amino-6-(5-phosphoribosylamino)uracil reductase (TM1828) from Thermotoga maritima at 1.80 A resolution To be published 0 0 0 0 2HXV Crystal structure of a diaminohydroxyphosphoribosylaminopyrimidine deaminase/ 5-amino-6-(5-phosphoribosylamino)uracil reductase (tm1828) from thermotoga maritima at 1.80 A resolution 2006-08-04 2006-08-15 Joint Center for Structural Genomics (JCSG) Crystal structure of Diaminohydroxyphosphoribosylaminopyrimidine deaminase/ 5-amino-6-(5-phosphoribosylamino)uracil reductase (TM1828) from Thermotoga maritima at 1.80 A resolution To be published 0 0 0 0 2HYT CRYSTAL STRUCTURE OF A TETR-FAMILY TRANSCRIPTIONAL REGULATOR (ECA1819) FROM PECTOBACTERIUM ATROSEPTICUM AT 1.64 A RESOLUTION 2006-08-07 2006-08-15 Joint Center for Structural Genomics (JCSG) Crystal structure of TetR-family transcriptional regulator (YP_049917.1) from Erwinia Cartovora Atroseptica SCRI1043 at 1.64 A resolution To be published 0 0 0 0 2HYT CRYSTAL STRUCTURE OF A TETR-FAMILY TRANSCRIPTIONAL REGULATOR (ECA1819) FROM PECTOBACTERIUM ATROSEPTICUM AT 1.64 A RESOLUTION 2006-08-07 2006-08-15 Joint Center for Structural Genomics (JCSG) Crystal structure of TetR-family transcriptional regulator (YP_049917.1) from Erwinia Cartovora Atroseptica SCRI1043 at 1.64 A resolution To be published 0 0 0 0 2HH6 Crystal structure of BH3980 (10176605) from BACILLUS HALODURANS at 2.04 A resolution 2006-06-27 2006-08-22 Joint Center for Structural Genomics (JCSG) Crystal structure of BH3980 (10176605) from BACILLUS HALODURANS at 2.04 A resolution To be published 0 0 0 0 2H7C 16962139 Crystal structure of human carboxylesterase in complex with Coenzyme A 2006-06-02 2006-08-29 Bencharit, S.,Edwards, C.C.,Morton, C.L.,Howard-Williams, E.L.,Kuhn, P.,Potter, P.M.,Redinbo, M.R. Multisite promiscuity in the processing of endogenous substrates by human carboxylesterase 1 J.Mol.Biol. 2006 363 201 214 2HQ9 Crystal structure of a fad-binding protein (mll6688) from mesorhizobium loti at 1.95 A resolution 2006-07-18 2006-08-29 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (NP_107146.1) from MESORHIZOBIUM LOTI at 1.95 A resolution To be published 0 0 0 0 2I02 CRYSTAL STRUCTURE OF a pyridoxamine 5'-phosphate oxidase-like family protein (NPUN_R6570) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.80 A RESOLUTION 2006-08-09 2006-08-29 Joint Center for Structural Genomics (JCSG) Crystal structure of general stress protein of COG3871 (ZP_00108720.1) from Nostoc punctiforme PCC 73102 at 1.80 A resolution To be published 0 0 0 0 2I51 CRYSTAL STRUCTURE OF a pyridoxamine 5'-phosphate oxidase-related, FMN binding protein (NPUN_F5749) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.40 A RESOLUTION 2006-08-23 2006-09-05 Joint Center for Structural Genomics (JCSG) Crystal structure of Uncharacterized conserved protein of COG5135 (ZP_00109616.1) from Nostoc punctiforme PCC 73102 at 1.40 A resolution To be published 0 0 0 0 2I5I CRYSTAL STRUCTURE OF A PUTATIVE CELLOBIOSE-PHOSPHATE CLEAVAGE PROTEIN (EF3048) FROM ENTEROCOCCUS FAECALIS V583 AT 1.70 A RESOLUTION 2006-08-24 2006-09-05 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (EF3048) from ENTEROCOCCUS FAECALIS V583 at 1.70 A resolution To be published 0 0 0 0 2HR1 16926025 Ternary structure of WT M.HhaI C5-Cytosine DNA methyltransferase with unmodified DNA and AdoHcy 2006-07-19 2006-09-19 Shieh, F.K.,Youngblood, B.,Reich, N.O. The Role of Arg165 Towards Base Flipping, Base Stabilization and Catalysis in M.HhaI. J.Mol.Biol. 2006 362 516 527 2I21 17002299 Bacteriorhodopsin/lipid complex, T46V mutant 2006-08-15 2006-10-10 Lanyi, J.K.,Schobert, B. Propagating Structural Perturbation Inside Bacteriorhodopsin: Crystal Structures of the M State and the D96A and T46V Mutants. Biochemistry 2006 45 12003 12010 2IG6 Crystal structure of a nimc/nima family protein (ca_c2569) from clostridium acetobutylicum at 1.80 A resolution 2006-09-22 2006-10-10 Joint Center for Structural Genomics (JCSG) Crystal structure of NimC/NimA family protein (NP_349178.1) from Clostridium Acetobutylicum at 1.80 A resolution To be published 0 0 0 0 2I36 17060607 Crystal structure of trigonal crystal form of ground-state rhodopsin 2006-08-17 2006-10-17 Salom, D.,Lodowski, D.T.,Stenkamp, R.E.,Trong, I.L.,Golczak, M.,Jastrzebska, B.,Harris, T.,Ballesteros, J.A.,Palczewski, K. Crystal structure of a photoactivated deprotonated intermediate of rhodopsin. Proc.Natl.Acad.Sci.Usa 2006 103 16123 16128 2IIU Crystal structure of a putative PhoU-like phosphate regulatory protein (NP_719307.1) from Shewanella oneidensis MR-1 at 2.28 A resolution. 2006-09-28 2006-10-17 Joint Center for Structural Genomics (JCSG) Crystal structure of conserved hypothetical protein (NP_719307.1) from Shewanella Oneidensis MR-1 at 2.28 A resolution To be published 0 0 0 0 2AQS CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant 2005-08-18 2006-10-31 DiDonato, M.,Kassmann, C.J.,Bruns, C.K.,Cabelli, D.E.,Cao, Z.,Tabatabai, L.B.,Kroll, J.S.,Getzoff, E.D. CU/ZN superoxide dismutase from neisseria meningitidis K91E, K94E double mutant To be Published 0 0 0 0 2IIZ 17654547 Crystal structure of putative melanin biosynthesis protein TyrA with bound heme (NP_716371.1) from Shewanella Oneidensis at 2.30 A resolution 2006-09-28 2006-11-14 Zubieta, C.,Joseph, R.,Krishna, S.S.,McMullan, D.,Kapoor, M.,Axelrod, H.L.,Miller, M.D.,Abdubek, P.,Acosta, C.,Astakhova, T.,Carlton, D.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Elias, Y.,Elsliger, M.A.,Feuerhelm, J.,Grzechnik, S.K.,Hale, J.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Kumar, A.,Marciano, D.,Morse, A.T.,Murphy, K.D.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Reyes, R.,Rife, C.L.,Schimmel, P.,Trout, C.V.,van den Bedem, H.,Weekes, D.,White, A.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Identification and structural characterization of heme binding in a novel dye-decolorizing peroxidase, TyrA. Proteins 2007 69 234 243 2FLA Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution 2006-01-05 2006-12-05 Hunsicker-Wang, L.M.,Han, W.,Stout, C.D.,Noodleman, L.,Fee, J.A. Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study. To be Published 0 0 0 0 2IT5 17150970 Crystal Structure of DCSIGN-CRD with man6 2006-10-19 2006-12-05 Feinberg, H.,Castelli, R.,Drickamer, K.,Seeberger, P.H.,Weis, W.I. Multiple modes of binding enhance the affinity of DC-SIGN for high mannose N-linked glycans found on viral glycoproteins. J.Biol.Chem. 2007 282 4202 4209 2NYB 17628062 Crystal structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom resolution 2006-11-20 2006-12-05 Yikilmaz, E.,Porta, J.,Grove, L.E.,Vahedi-Faridi, A.,Bronshteyn, Y.,Brunold, T.C.,Borgstahl, G.E.,Miller, A.F. How Can a Single Second Sphere Amino Acid Substitution Cause Reduction Midpoint Potential Changes of Hundreds of Millivolts? J.Am.Chem.Soc. 2007 129 9927 9940 2E2H 17129781 RNA polymerase II elongation complex at 5 mM Mg2+ with GTP 2006-11-14 2006-12-12 Wang, D.,Bushnell, D.A.,Westover, K.D.,Kaplan, C.D.,Kornberg, R.D. Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.) 2006 127 941 954 2NVQ 17129781 RNA Polymerase II Elongation Complex in 150 mM Mg+2 with 2'dUTP 2006-11-13 2006-12-12 Wang, D.,Bushnell, D.A.,Westover, K.D.,Kaplan, C.D.,Kornberg, R.D. Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.) 2006 127 941 954 2NVT 17129781 RNA Polymerase II Elongation Complex in 150 mM Mg+2 with GMPCPP 2006-11-13 2006-12-12 Wang, D.,Bushnell, D.A.,Westover, K.D.,Kaplan, C.D.,Kornberg, R.D. Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.) 2006 127 941 954 2E2I 17129781 RNA polymerase II elongation complex in 5 mM Mg+2 with 2'-dGTP 2006-11-14 2006-12-19 Wang, D.,Bushnell, D.A.,Westover, K.D.,Kaplan, C.D.,Kornberg, R.D. Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.) 2006 127 941 954 2FX7 17125793 Crystal structure of hiv-1 neutralizing human fab 4e10 in complex with a 16-residue peptide encompassing the 4e10 epitope on gp41 2006-02-03 2006-12-19 Cardoso, R.M.,Brunel, F.M.,Ferguson, S.,Zwick, M.,Burton, D.R.,Dawson, P.E.,Wilson, I.A. Structural basis of enhanced binding of extended and helically constrained peptide epitopes of the broadly neutralizing HIV-1 antibody 4E10. J.Mol.Biol. 2007 365 1533 1544 2NVZ 17129781 RNA Polymerase II elongation complex with UTP, updated 11/2006 2006-11-14 2006-12-19 Wang, D.,Bushnell, D.A.,Westover, K.D.,Kaplan, C.D.,Kornberg, R.D. Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.) 2006 127 941 954 2O2X Crystal structure of a putative had-like phosphatase (mll2559) from mesorhizobium loti at 1.50 A resolution 2006-11-30 2006-12-19 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (NP_103874.1) from Mesorhizobium loti at 1.50 A resolution To be published 0 0 0 0 2NTU 17141271 Bacteriorhodopsin, wild type, before illumination 2006-11-08 2006-12-26 Lanyi, J.K.,Schobert, B. Structural changes in the L photointermediate of bacteriorhodopsin. J.Mol.Biol. 2007 365 1379 1392 2NTW 17141271 Bacteriorhodopsin, wild type, after illumination to produce the L intermediate 2006-11-08 2006-12-26 Lanyi, J.K.,Schobert, B. Structural changes in the L photointermediate of bacteriorhodopsin. J.Mol.Biol. 2007 365 1379 1392 2NYY 17173035 Crystal structure of botulinum neurotoxin type A complexed with monoclonal antibody CR1 2006-11-21 2006-12-26 Garcia-Rodriguez, C.,Levy, R.,Arndt, J.W.,Forsyth, C.M.,Razai, A.,Lou, J.,Geren, I.,Stevens, R.C.,Marks, J.D. Molecular evolution of antibody cross-reactivity for two subtypes of type A botulinum neurotoxin. Nat.Biotechnol. 2007 25 107 116 2O7T Crystal structure of a tetr family transcriptional regulator (ncgl1578, cgl1640) from corynebacterium glutamicum at 2.10 A resolution 2006-12-11 2006-12-26 Joint Center for Structural Genomics (JCSG) Crystal structure of transcriptional regulator (NP_600854.1) from Corynebacterium glutamicum ATCC 13032 Kitasato at 2.10 A resolution To be published 0 0 0 0 2NM0 17115703 Crystal Structure of SCO1815: a Beta-Ketoacyl-Acyl Carrier Protein Reductase from Streptomyces coelicolor A3(2) 2006-10-20 2007-01-02 Tang, Y.,Lee, H.Y.,Tang, Y.,Kim, C.Y.,Mathews, I.,Khosla, C. Structural and functional studies on SCO1815: a beta-ketoacyl-acyl carrier protein reductase from Streptomyces coelicolor A3(2). Biochemistry 2006 45 14085 14093 2O1I 17194756 RH(BPY)2CHRYSI complexed to mismatched DNA 2006-11-28 2007-01-09 Pierre, V.C.,Kaiser, J.T.,Barton, J.K. Insights into finding a mismatch through the structure of a mispaired DNA bound by a rhodium intercalator. Proc.Natl.Acad.Sci.Usa 2007 104 429 434 2O78 17185228 Tyrosine ammonia-lyase from Rhodobacter sphaeroides (His89Phe variant) complexed with cinnamic acid 2006-12-10 2007-01-16 Louie, G.V.,Bowman, M.E.,Moffitt, M.C.,Baiga, T.J.,Moore, B.S.,Noel, J.P. Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases. Chem.Biol. 2006 13 1327 1338 2O7B 17185228 Tyrosine ammonia-lyase from Rhodobacter sphaeroides, complexed with coumarate 2006-12-10 2007-01-16 Louie, G.V.,Bowman, M.E.,Moffitt, M.C.,Baiga, T.J.,Moore, B.S.,Noel, J.P. Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases. Chem.Biol. 2006 13 1327 1338 2O7D 17185228 Tyrosine ammonia-lyase from Rhodobacter sphaeroides, complexed with caffeate 2006-12-10 2007-01-16 Louie, G.V.,Bowman, M.E.,Moffitt, M.C.,Baiga, T.J.,Moore, B.S.,Noel, J.P. Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases. Chem.Biol. 2006 13 1327 1338 2O7E 17185228 Tyrosine ammonia-lyase from Rhodobacter sphaeroides (His89Phe variant), bound to 2-aminoindan-2-phosphonic acid 2006-12-11 2007-01-16 Louie, G.V.,Bowman, M.E.,Moffitt, M.C.,Baiga, T.J.,Moore, B.S.,Noel, J.P. Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases. Chem.Biol. 2006 13 1327 1338 2O7F 17185228 Tyrosine ammonia-lyase from Rhodobacter sphaeroides (His89Phe variant), complexed with coumaric acid 2006-12-11 2007-01-16 Louie, G.V.,Bowman, M.E.,Moffitt, M.C.,Baiga, T.J.,Moore, B.S.,Noel, J.P. Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases. Chem.Biol. 2006 13 1327 1338 2OA2 Crystal structure of BH2720 (10175341) from Bacillus halodurans at 1.41 A resolution 2006-12-14 2007-01-16 Joint Center for Structural Genomics (JCSG) Crystal structure of BH2720 (10175341) from Bacillus halodurans at 1.41 A resolution To be published 0 0 0 0 2OBP Crystal structure of a putative dna-binding protein (reut_b4095) from ralstonia eutropha jmp134 at 1.70 A resolution 2006-12-19 2007-01-16 Joint Center for Structural Genomics (JCSG) Crystal structure of putative DNA-binding protein (YP_298295.1) from Ralstonia eutropha JMP134 at 1.70 A resolution To be published 0 0 0 0 2OGI Crystal structure of a putative metal dependent phosphohydrolase (sag1661) from streptococcus agalactiae serogroup v at 1.85 A resolution 2007-01-05 2007-01-16 Joint Center for Structural Genomics (JCSG) Crystal structure of conserved hypothetical protein TIGR00488 (NP_688652.1) from Streptococcus agalactiae 2603 at 1.85 A resolution To be published 0 0 0 0 2OD4 Crystal structure of a dimeric ferredoxin-like protein (jcvi_pep_1096665735785) from uncultured marine organism at 1.70 A resolution 2006-12-21 2007-01-23 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (JCVI_PEP_1096665735785) from an environmental metagenome (unidentified marine microbe), Sorcerer II Global Ocean Sampling experiment at 1.70 A resolution To be published 0 0 0 0 2OD5 CRYSTAL STRUCTURE OF A PUTATIVE NUCLEIC ACID BINDING PROTEIN (JCVI_PEP_1096688149193) FROM UNCULTURED MARINE ORGANISM AT 1.79 A RESOLUTION 2006-12-21 2007-01-23 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (JCVI_PEP_1096688149193) from an environmental metagenome (unidentified marine microbe), Sorcerer II Global Ocean Sampling experiment at 1.79 A resolution To be published 0 0 0 0 2OD6 Crystal structure of a dimeric ferredoxin-like protein (jcvi_pep_1096682647733) from uncultured marine organism at 1.85 A resolution 2006-12-21 2007-01-23 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (JCVI_PEP_1096682647733) from an environmental metagenome (unidentified marine microbe), Sorcerer II Global Ocean Sampling experiment at 1.85 A resolution To be published 0 0 0 0 2OH3 Crystal structure of COG1633: Uncharacterized conserved protein (ZP_00055496.1) from Magnetospirillum magnetotacticum MS-1 at 2.00 A resolution 2007-01-09 2007-01-23 Joint Center for Structural Genomics (JCSG) Crystal structure of COG1633: Uncharacterized conserved protein (ZP_00055496.1) from Magnetospirillum magnetotacticum MS-1 at 2.00 A resolution To be published 0 0 0 0 2OIK Crystal structure of a histidine triad (hit) protein (mfla_2506) from methylobacillus flagellatus kt at 1.65 A resolution 2007-01-11 2007-01-30 Joint Center for Structural Genomics (JCSG) Crystal structure of histidine triad (HIT) protein (YP_546612.1) from Methylobacillus flagellatus KT at 1.65 A resolution To be published 0 0 0 0 2OKC Crystal structure of Type I restriction enzyme StySJI M protein (NP_813429.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution 2007-01-16 2007-01-30 Joint Center for Structural Genomics (JCSG) Crystal structure of Type I restriction enzyme StySJI M protein (NP_813429.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution To be Published 0 0 0 0 2OKF 25179344 CRYSTAL STRUCTURE OF A FDXN ELEMENT EXCISION CONTROLLING FACTOR PROTEIN (AVA_3312) FROM ANABAENA VARIABILIS AT 1.60 A RESOLUTION 2007-01-16 2007-01-30 Hwang, W.C.,Golden, J.W.,Pascual, J.,Xu, D.,Cheltsov, A.,Godzik, A. Site-specific recombination of nitrogen-fixation genes in cyanobacteria by XisF-XisH-XisI complex: Structures and models. Proteins 2014 0 0 0 2GJZ 17226987 Structure of Catalytic Elimination Antibody 13G5 from a crystal in space group P2(1) 2006-03-31 2007-02-06 Muller, R.,Debler, E.W.,Steinmann, M.,Seebeck, F.P.,Wilson, I.A.,Hilvert, D. Bifunctional Catalysis of Proton Transfer at an Antibody Active Site. J.Am.Chem.Soc. 2007 129 460 461 2OLT Crystal structure of a phou-like protein (so_3770) from shewanella oneidensis mr-1 at 2.00 A resolution 2007-01-19 2007-02-06 Joint Center for Structural Genomics (JCSG) Crystal structure of NP_719307.1 from Shewanella oneidensis at 2.00 A resolution To be published 0 0 0 0 2ONF Crystal structure of a putative osmotically inducible protein c (ta0195) from thermoplasma acidophilum at 1.70 A resolution 2007-01-23 2007-02-06 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (NP_393673.1) from Thermoplasma acidophilum at 1.70 A resolution To be published 0 0 0 0 2OOC 19450606 Crystal structure of Histidine Phosphotransferase ShpA (NP_419930.1) from Caulobacter crescentus at 1.52 A resolution 2007-01-25 2007-02-06 Xu, Q.,Carlton, D.,Miller, M.D.,Elsliger, M.A.,Krishna, S.S.,Abdubek, P.,Astakhova, T.,Burra, P.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Elias, Y.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Grzechnik, S.K.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Kumar, A.,Marciano, D.,McMullan, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Paulsen, J.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Trame, C.,Trout, C.V.,van den Bedem, H.,Weekes, D.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Crystal structure of histidine phosphotransfer protein ShpA, an essential regulator of stalk biogenesis in Caulobacter crescentus. J.Mol.Biol. 2009 390 686 698 2OOJ CRYSTAL STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION FROM DUF3224 FAMILY (SO_1590) FROM SHEWANELLA ONEIDENSIS MR-1 AT 1.84 A RESOLUTION 2007-01-25 2007-02-06 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (NP_717203.1) from Shewanella oneidensis at 1.84 A resolution To be published 0 0 0 0 2OOK 20944218 Crystal structure of a protein with unknown function (YP_749275.1) from Shewanella Frigidimarina NCIMB 400 at 1.80 A resolution 2007-01-25 2007-02-06 Kumar, A.,Lomize, A.,Jin, K.K.,Carlton, D.,Miller, M.D.,Jaroszewski, L.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Chiu, H.J.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Marciano, D.,McMullan, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Open and closed conformations of two SpoIIAA-like proteins (YP_749275.1 and YP_001095227.1) provide insights into membrane association and ligand binding. Acta Crystallogr.,Sect.F 2010 66 1245 1253 2IFG 17196528 Structure of the extracellular segment of human TRKA in complex with nerve growth factor 2006-09-20 2007-02-13 Wehrman, T.,He, X.,Raab, B.,Dukipatti, A.,Blau, H.,Garcia, K.C. Structural and mechanistic insights into nerve growth factor interactions with the TrkA and p75 receptors. Neuron 2007 53 25 38 2O62 CRYSTAL STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION FROM DUF3598 FAMILY (NPUN_R4044) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.75 A RESOLUTION 2006-12-06 2007-02-13 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (ZP_00105914.2) from Nostoc punctiforme PCC 73102 at 1.75 A resolution To be published 0 0 0 0 2OAF Crystal structure of thioesterase superfamily (YP_508616.1) from Jannaschia sp. CCS1 at 2.00 A resolution 2006-12-15 2007-02-13 Joint Center for Structural Genomics (JCSG) Crystal structure of thioesterase superfamily (YP_508616.1) from Jannaschia sp. CCS1 at 2.00 A resolution To be published 0 0 0 0 2OH1 Crystal structure of acetyltransferase GNAT family (YP_013287.1) from Listeria monocytogenes 4b F2365 at 1.46 A resolution 2007-01-09 2007-02-13 Joint Center for Structural Genomics (JCSG) Crystal structure of acetyltransferase GNAT family (YP_013287.1) from Listeria monocytogenes 4b F2365 at 1.46 A resolution To be published 0 0 0 0 2OPK CRYSTAL STRUCTURE OF A PUTATIVE MANNOSE-6-PHOSPHATE ISOMERASE (REUT_A1446) FROM RALSTONIA EUTROPHA JMP134 AT 2.10 A RESOLUTION 2007-01-29 2007-02-13 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (YP_295660.1) from Ralstonia eutropha JMP134 at 2.10 A resolution To be published 0 0 0 0 2OPL Crystal structure of an osmc-like protein (gsu2788) from geobacter sulfurreducens at 1.50 A resolution 2007-01-29 2007-02-13 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (NP_953832.1) from Geobacter sulfurreducens at 1.50 A resolution To be published 0 0 0 0 2OQM Crystal structure of a dinb family member protein (sden_0562) from shewanella denitrificans at 1.83 A resolution 2007-01-31 2007-02-13 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (YP_561575.1) from Shewanella denitrificans OS-217 at 1.83 A resolution To be published 0 0 0 0 2ORD Crystal structure of Acetylornithine aminotransferase (EC 2.6.1.11) (ACOAT) (TM1785) from Thermotoga maritima at 1.40 A resolution 2007-02-02 2007-02-13 Joint Center for Structural Genomics (JCSG) Crystal structure of Acetylornithine aminotransferase (EC 2.6.1.11) (ACOAT) (TM1785) from Thermotoga maritima at 1.40 A resolution To be published 0 0 0 0 2HI4 17311915 Crystal Structure of Human Microsomal P450 1A2 in complex with alpha-naphthoflavone 2006-06-29 2007-02-20 Sansen, S.,Yano, J.K.,Reynald, R.L.,Schoch, G.A.,Griffin, K.J.,Stout, C.D.,Johnson, E.F. Adaptations for the oxidation of polycyclic aromatic hydrocarbons exhibited by the structure of human P450 1A2. J.Biol.Chem. 2007 282 14348 14355 2IU0 17324932 crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase 2006-05-26 2007-02-20 Xu, L.,Chong, Y.,Hwang, I.,D'Onofrio, A.,Amore, K.,Beardsley, G.P.,Li, C.,Olson, A.J.,Boger, D.L.,Wilson, I.A. Structure-Based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase J.Biol.Chem. 2007 282 13033 0 2IU3 17324932 Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase 2006-05-27 2007-02-20 Xu, L.,Chong, Y.,Hwang, I.,D'Onofrio, A.,Amore, K.,Beardsley, G.P.,Li, C.,Olson, A.J.,Boger, D.L.,Wilson, I.A. Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase. J. Biol. Chem. 2007 282 13033 13046 2OSD Crystal structure of a vinyl-4-reductase family protein (mj_1460) from methanocaldococcus jannaschii dsm at 2.40 A resolution 2007-02-05 2007-02-20 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein MJ_1460 (1592102) from Methanococcus jannaschii at 2.30 A resolution To be published 0 0 0 0 2OSO Crystal structure of a vinyl-4-reductase family protein (mj_1460) from methanocaldococcus jannaschii dsm at 1.90 A resolution 2007-02-06 2007-02-20 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein MJ_1460 (1592102) from Methanocaldococcus jannaschii at 1.90 A resolution To be published 0 0 0 0 2OTM Crystal structure of a putative endoribonuclease (so_1960) from shewanella oneidensis mr-1 at 1.85 A resolution 2007-02-08 2007-02-20 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (NP_717567.1) from Shewanella oneidensis at 1.85 A resolution To be published 0 0 0 0 2OU6 Crystal structure of a putative metalloenzyme of the duf664 family (dr_1065) from deinococcus radiodurans at 1.80 A resolution 2007-02-09 2007-02-20 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (NP_294789.1) from Deinococcus radiodurans at 1.80 A resolution To be published 0 0 0 0 2OWP Crystal structure of a cystatin-like fold protein (bxe_b1374) from burkholderia xenovorans lb400 at 2.00 A resolution 2007-02-16 2007-02-27 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein Bxe_B1374 (YP_553940.1) from Burkholderia xenovorans LB400 at 2.00 A resolution To be published 0 0 0 0 2GKS 17095009 Crystal Structure of the Bi-functional ATP Sulfurylase-APS Kinase from Aquifex aeolicus, a Chemolithotrophic Thermophile 2006-04-03 2007-03-06 Yu, Z.,Lansdon, E.B.,Segel, I.H.,Fisher, A.J. Crystal structure of the bifunctional ATP sulfurylase-APS kinase from the chemolithotrophic thermophile Aquifex aeolicus. J.Mol.Biol. 2007 365 732 743 2I27 17258766 Crystal Structure Analysis of the Nurse Shark New Antigen Receptor Ancestral variable domain 2006-08-15 2007-03-06 Stanfield, R.L.,Dooley, H.,Verdino, P.,Flajnik, M.F.,Wilson, I.A. Maturation of Shark Single-domain (IgNAR) Antibodies: Evidence for Induced-fit Binding. J.Mol.Biol. 2007 367 358 372 2OU5 Crystal structure of a pyridoxamine 5'-phosphate oxidase-related fmn-binding protein (jann_0254) from jannaschia sp. ccs1 at 1.60 A resolution 2007-02-09 2007-03-06 Joint Center for Structural Genomics (JCSG) Crystal structure of pyridoxamine 5'-phosphate oxidase-related FMN-binding (YP_508196.1) from Jannaschia sp. CCS1 at 1.60 A resolution To be published 0 0 0 0 2OUW Crystal structure of Alkylhydroperoxidase AhpD core (YP_425393.1) from Rhodospirillum rubrum ATCC 11170 at 1.95 A resolution 2007-02-12 2007-03-06 Joint Center for Structural Genomics (JCSG) Crystal structure of Alkylhydroperoxidase AhpD core (YP_425393.1) from Rhodospirillum rubrum ATCC 11170 at 1.95 A resolution To be published 0 0 0 0 2OYO Crystal structure of Uncharacterized peroxidase-related protein (YP_604910.1) from Deinococcus geothermalis DSM 11300 at 1.51 A resolution 2007-02-22 2007-03-20 Joint Center for Structural Genomics (JCSG) Crystal structure of Uncharacterized peroxidase-related protein (YP_604910.1) from Deinococcus geothermalis DSM 11300 at 1.51 A resolution To be published 0 0 0 0 2OZH Crystal structure of a putative acetyltransferase belonging to the gnat family (xcc2953) from xanthomonas campestris pv. campestris at 1.40 A resolution 2007-02-26 2007-03-20 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (NP_638301.1) from Xanthomonas campestris at 1.40 A resolution To be published 0 0 0 0 2OZJ CRYSTAL STRUCTURE OF A CUPIN SUPERFAMILY PROTEIN (DSY2733) FROM DESULFITOBACTERIUM HAFNIENSE DCB-2 AT 1.60 A RESOLUTION 2007-02-26 2007-03-20 Joint Center for Structural Genomics (JCSG) Crystal structure of Cupin 2, conserved barrel (EAT53321.1) from Desulfitobacterium hafniense DCB-2 at 1.60 A resolution To be published 0 0 0 0 2P11 CRYSTAL STRUCTURE OF A PUTATIVE HALOACID DEHALOGENASE-LIKE HYDROLASE (BXE_B1342) FROM BURKHOLDERIA XENOVORANS LB400 AT 2.20 A RESOLUTION 2007-03-01 2007-03-20 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (YP_553970.1) from Burkholderia xenovorans LB400 at 2.20 A resolution To be published 0 0 0 0 2P1A Crystal structure of a putative metal-binding protein (bce_2162) from bacillus cereus atcc 10987 at 2.10 A resolution 2007-03-02 2007-03-20 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (NP_978475.1) from Bacillus cereus ATCC 10987 at 2.10 A resolution To be published 0 0 0 0 2P2S Crystal structure of putative oxidoreductase (YP_050235.1) from Erwinia carotovora atroseptica SCRI1043 at 1.25 A resolution 2007-03-07 2007-03-20 Joint Center for Structural Genomics (JCSG) Crystal structure of putative oxidoreductase (YP_050235.1) from Erwinia carotovora atroseptica SCRI1043 at 1.25 A resolution To be Published 0 0 0 0 2HGY 17326633 Structure of S65A Y66F E222A GFP variant after cyclization and carbon-carbon bond cleavage 2006-06-27 2007-03-27 Barondeau, D.P.,Kassmann, C.J.,Tainer, J.A.,Getzoff, E.D. The Case of the Missing Ring: Radical Cleavage of a Carbon-Carbon Bond and Implications for GFP Chromophore Biosynthesis J.Am.Chem.Soc. 2007 129 3118 3126 2OFZ 17229691 Ultrahigh Resolution Crystal Structure of RNA Binding Domain of SARS Nucleopcapsid (N Protein) at 1.1 Angstrom Resolution in Monoclinic Form. 2007-01-04 2007-04-03 Saikatendu, K.S.,Joseph, J.S.,Subramanian, V.,Neuman, B.W.,Buchmeier, M.J.,Stevens, R.C.,Kuhn, P. Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein. J.Virol. 2007 81 3913 3921 2OG3 17229691 structure of the rna binding domain of n protein from SARS coronavirus in cubic crystal form 2007-01-05 2007-04-03 Saikatendu, K.S.,Joseph, J.S.,Subramanian, V.,Neuman, B.W.,Buchmeier, M.J.,Stevens, R.C.,Kuhn, P. Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein. J.Virol. 2007 81 3913 3921 2OX9 17420244 Mouse Scavenger Receptor C-type Lectin carbohydrate-recognition domain. 2007-02-20 2007-04-03 Feinberg, H.,Taylor, M.E.,Weis, W.I. Scavenger receptor C-type lectin binds to the leukocyte cell surface glycan Lewis(x) by a novel mechanism. J.Biol.Chem. 2007 282 17250 17258 2P7H Crystal structure of a sam dependent methyl-transferase type 12 family protein (eca1738) from pectobacterium atrosepticum scri1043 at 1.85 A resolution 2007-03-20 2007-04-03 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (YP_049838.1) from Erwinia carotovora atroseptica SCRI1043 at 1.85 A resolution To be published 0 0 0 0 2P7I CRYSTAL STRUCTURE OF a SAM dependent methyl-transferase type 12 family protein (ECA1738) FROM PECTOBACTERIUM ATROSEPTICUM SCRI1043 AT 1.74 A RESOLUTION 2007-03-20 2007-04-03 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (YP_049838.1) from Erwinia carotovora atroseptica SCRI1043 at 1.74 A resolution To be published 0 0 0 0 2OK2 17426027 MutS C-terminal domain fused to Maltose Binding Protein 2007-01-15 2007-04-10 Mendillo, M.L.,Putnam, C.D.,Kolodner, R.D. Escherichia coli MutS Tetramerization Domain Structure Reveals That Stable Dimers but Not Tetramers Are Essential for DNA Mismatch Repair in Vivo. J.Biol.Chem. 2007 282 16345 16354 2P85 17428784 Structure of Human Lung Cytochrome P450 2A13 with indole bound in two alternate conformations 2007-03-21 2007-04-10 Smith, B.D.,Sanders, J.L.,Porubsky, P.R.,Lushington, G.H.,Stout, C.D.,Scott, E.E. Structure of the human lung cytochrome P450 2A13. J.Biol.Chem. 2007 282 17306 17313 2P4O CRYSTAL STRUCTURE OF A PUTATIVE LACTONASE OF THE SMP-30/GLUCONOLACTONASE/LRE-LIKE REGION FAMILY (NPUN_F0524) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.90 A RESOLUTION 2007-03-12 2007-04-17 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (ZP_00111901.1) from Nostoc punctiforme PCC 73102 at 1.90 A resolution To be published 0 0 0 0 2P97 CRYSTAL STRUCTURE OF A PUTATIVE METAL-DEPENDENT HYDROLASE (AVA_3068) FROM ANABAENA VARIABILIS ATCC 29413 AT 1.65 A RESOLUTION 2007-03-23 2007-04-17 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (YP_323572.1) from Anabaena variabilis ATCC 29413 at 1.65 A resolution To be published 0 0 0 0 2PBL Crystal structure of a putative thioesterase (tm1040_2492) from silicibacter sp. tm1040 at 1.79 A resolution 2007-03-28 2007-04-17 Joint Center for Structural Genomics (JCSG) Crystal structure of putative thioesterase (YP_614486.1) from Silicibacter sp. TM1040 at 1.79 A resolution To be published 0 0 0 0 2PEB Crystal structure of a putative dioxygenase (npun_f1925) from nostoc punctiforme pcc 73102 at 1.46 A resolution 2007-04-02 2007-04-17 Joint Center for Structural Genomics (JCSG) Crystal structure of putative dioxygenase (ZP_00109509.1) from Nostoc punctiforme PCC 73102 at 1.46 A resolution To be published 0 0 0 0 2PFW CRYSTAL STRUCTURE OF A RMLC-LIKE CUPIN (SFRI_3105) FROM SHEWANELLA FRIGIDIMARINA NCIMB 400 AT 1.90 A RESOLUTION 2007-04-05 2007-04-17 Joint Center for Structural Genomics (JCSG) Crystal structure of Cupin 2 conserved barrel domain protein (YP_751781.1) from Shewanella frigidimarina NCIMB 400 at 1.90 A resolution To be published 0 0 0 0 2PFX Crystal structure of uncharacterized peroxidase-related protein (YP_614459.1) from Silicibacter sp. TM1040 at 1.70 A resolution 2007-04-05 2007-04-17 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized peroxidase-related protein (YP_614459.1) from Silicibacter sp. TM1040 at 1.70 A resolution To be published 0 0 0 0 2E7L 17418792 Structure of a high-affinity mutant of the 2C TCR in complex with Ld/QL9 2007-01-11 2007-04-24 Colf, L.A.,Bankovich, A.J.,Hanick, N.A.,Bowerman, N.A.,Jones, L.L.,Kranz, D.M.,Garcia, K.C. How a single T cell receptor recognizes both self and foreign MHC. Cell(Cambridge,Mass.) 2007 129 135 146 2OI9 17418792 Structure of the 2C/Ld/QL9 allogeneic complex 2007-01-10 2007-04-24 Colf, L.A.,Bankovich, A.J.,Hanick, N.A.,Bowerman, N.A.,Jones, L.L.,Kranz, D.M.,Garcia, K.C. How a single T cell receptor recognizes both self and foreign MHC. Cell(Cambridge,Mass.) 2007 129 135 146 2P8I Crystal structure of putative dioxygenase (YP_555069.1) from Burkholderia xenovorans LB400 at 1.40 A resolution 2007-03-22 2007-04-24 Joint Center for Structural Genomics (JCSG) Crystal structure of putative dioxygenase (YP_555069.1) from Burkholderia xenovorans LB400 at 1.40 A resolution To be published 0 0 0 0 2P8J Crystal structure of S-adenosylmethionine-dependent methyltransferase (NP_349143.1) from Clostridium acetobutylicum at 2.00 A resolution 2007-03-22 2007-04-24 Joint Center for Structural Genomics (JCSG) Crystal structure of S-adenosylmethionine-dependent methyltransferase (NP_349143.1) from Clostridium acetobutylicum at 2.00 A resolution To be published 0 0 0 0 2PG3 Crystal structure of a Queuosine biosynthesis protein queC (ECA1155) from Erwinia carotovora subsp. atroseptica SCRI1043 at 2.40 A resolution 2007-04-06 2007-04-24 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein (YP_049261.1) from Erwinia carotovora subsp. atroseptica SCRI1043 at 2.40 A resolution To be published 0 0 0 0 2PGC Crystal structure of a a marine metagenome protein (jcvi_pep_1096685590403) from uncultured marine organism at 2.53 A resolution 2007-04-09 2007-04-24 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (JCVI_PEP_1096685590403) from an environmental metagenome (unidentified marine microbe), Sorcerer II Global Ocean Sampling experiment at 2.53 A resolution To be published 0 0 0 0 2YU9 17129781 RNA polymerase II elongation complex in 150 mm MG+2 with UTP 2007-04-06 2007-04-24 Wang, D.,Bushnell, D.A.,Westover, K.D.,Kaplan, C.D.,Kornberg, R.D. Structural Basis of Transcription: Role of the Trigger Loop in Substrate Specificity and Catalysis Cell(Cambridge,Mass.) 2006 127 941 954 2PNK CRYSTAL STRUCTURE OF AN URONATE ISOMERASE (BH0493) FROM BACILLUS HALODURANS C-125 AT 2.00 A RESOLUTION 2007-04-24 2007-05-08 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (NP_241359.1) from Bacillus halodurans at 2.00 A resolution To be published 0 0 0 0 2OP4 17400249 Crystal Structure of Quorum-Quenching Antibody 1G9 2007-01-26 2007-05-15 Debler, E.W.,Kaufmann, G.F.,Kirchdoerfer, R.N.,Mee, J.M.,Janda, K.D.,Wilson, I.A. Crystal Structures of a Quorum-quenching Antibody. J.Mol.Biol. 2007 368 1392 1402 2PPV CRYSTAL STRUCTURE OF a protein belonging to the UPF0052 (SE_0549) FROM STAPHYLOCOCCUS EPIDERMIDIS ATCC 12228 AT 2.00 A RESOLUTION 2007-04-30 2007-05-15 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (NP_764104.1) from Staphylococcus epidermidis ATCC 12228 at 2.00 A resolution To be published 0 0 0 0 2PQ7 Crystal structure of predicted HD superfamily hydrolase (104161995) from uncultured Thermotogales bacterium at 1.45 A resolution 2007-05-01 2007-05-15 Joint Center for Structural Genomics (JCSG) Crystal structure of predicted HD superfamily hydrolase (104161995) from uncultured Thermotogales bacterium at 1.45 A resolution To be published 0 0 0 0 2PR7 Crystal structure of uncharacterized protein (NP_599989.1) from Corynebacterium glutamicum ATCC 13032 Kitasato at 1.44 A resolution 2007-05-03 2007-05-15 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (NP_599989.1) from Corynebacterium glutamicum ATCC 13032 Kitasato at 1.44 A resolution To be published 0 0 0 0 2IHK 17487984 crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F(equatorial)-Neu5Ac bound 2006-09-26 2007-05-22 Ni, L.,Chokhawala, H.A.,Cao, H.,Henning, R.,Ng, L.,Huang, S.,Yu, H.,Chen, X.,Fisher, A.J. Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism. Biochemistry 2007 46 6288 6298 2ILV 17487984 crystal structure of multifunctional sialyltransferase from Pasteurella multocida with CMP and alpha-lactose bound 2006-10-03 2007-05-22 Ni, L.,Chokhawala, H.A.,Cao, H.,Henning, R.,Ng, L.,Huang, S.,Yu, H.,Chen, X.,Fisher, A.J. Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism. Biochemistry 2007 46 6288 6298 2P7D 17488874 A Minimal, 'Hinged' Hairpin Ribozyme Construct Solved with Mimics of the Product Strands at 2.25 Angstroms Resolution 2007-03-20 2007-05-22 Torelli, A.T.,Krucinska, J.,Wedekind, J.E. A comparison of vanadate to a 2'-5' linkage at the active site of a small ribozyme suggests a role for water in transition-state stabilization Rna 2007 13 1052 1070 2P7F 17488874 The Novel Use of a 2',5'-Phosphodiester Linkage as a Reaction Intermediate at the Active Site of a Small Ribozyme 2007-03-20 2007-05-22 Torelli, A.T.,Krucinska, J.,Wedekind, J.E. A comparison of vanadate to a 2'-5' linkage at the active site of a small ribozyme suggests a role for water in transition-state stabilization Rna 2007 13 1052 1070 2PME 17545306 The Apo crystal Structure of the glycyl-tRNA synthetase 2007-04-21 2007-05-22 Xie, W.,Nangle, L.A.,Zhang, W.,Schimmel, P.,Yang, X.L. Long-range structural effects of a Charcot-Marie- Tooth disease-causing mutation in human glycyl-tRNA synthetase. Proc.Natl.Acad.Sci.Usa 2007 104 9976 9981 2PRV Crystal structure of an uncharacterized protein (yobk, bsu18990) from bacillus subtilis at 1.30 A resolution 2007-05-04 2007-05-22 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (NP_389780.1) from Bacillus subtilis at 1.30 A resolution To be published 0 0 0 0 2PV7 20944228 Crystal structure of chorismate mutase / prephenate dehydrogenase (tyrA) (1574749) from Haemophilus influenzae RD at 2.00 A resolution 2007-05-09 2007-05-22 Chiu, H.J.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Carlton, D.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Marciano, D.,McMullan, D.,Miller, M.D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Reyes, R.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. The structure of Haemophilus influenzae prephenate dehydrogenase suggests unique features of bifunctional TyrA enzymes. Acta Crystallogr.,Sect.F 2010 66 1317 1325 2PRR Crystal structure of alkylhydroperoxidase AhpD core: uncharacterized peroxidase-related protein (YP_296737.1) from Ralstonia eutropha JMP134 at 2.15 A resolution 2007-05-04 2007-05-29 Joint Center for Structural Genomics (JCSG) Crystal structure of alkylhydroperoxidase AhpD core: uncharacterized peroxidase-related protein (YP_296737.1) from Ralstonia eutropha JMP134 at 2.15 A resolution To be published 0 0 0 0 2PRX Crystal structure of Thioesterase superfamily protein (ZP_00837258.1) from Shewanella loihica PV-4 at 1.65 A resolution 2007-05-04 2007-05-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Thioesterase superfamily protein (ZP_00837258.1) from Shewanella loihica PV-4 at 1.65 A resolution To be published 0 0 0 0 2PY6 Crystal structure of Methyltransferase FkbM (YP_546752.1) from Methylobacillus flagellatus KT at 2.20 A resolution 2007-05-15 2007-05-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Methyltransferase FkbM (YP_546752.1) from Methylobacillus flagellatus KT at 2.20 A resolution To be published 0 0 0 0 2PYQ Crystal structure of a duf2853 member protein (jann_4075) from jannaschia sp. ccs1 at 1.500 A resolution 2007-05-16 2007-05-29 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (YP_512017.1) from Jannaschia sp. CCS1 at 1.500 A resolution To be published 0 0 0 0 2PYT Crystal structure of a putative ethanolamine utilization protein q (eutq, stm2468) from salmonella typhimurium lt2 at 1.90 A resolution 2007-05-16 2007-05-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Ethanolamine utilization protein eutQ (16421009) from Salmonella typhimurium LT2 at 1.90 A resolution To be published 0 0 0 0 2PYX Crystal structure of tryptophan halogenase (YP_750003.1) from Shewanella frigidimarina NCIMB 400 at 1.50 A resolution 2007-05-16 2007-05-29 Joint Center for Structural Genomics (JCSG) Crystal structure of tryptophan halogenase (YP_750003.1) from Shewanella frigidimarina NCIMB 400 at 1.50 A resolution To be published 0 0 0 0 2Q03 Crystal structure of uncharacterized protein (YP_563039.1) from Shewanella denitrificans OS217 at 1.80 A resolution 2007-05-18 2007-05-29 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (YP_563039.1) from Shewanella denitrificans OS217 at 1.80 A resolution To be published 0 0 0 0 2PSD 17980388 Crystal Structures of the Luciferase and Green Fluorescent Protein from Renilla Reniformis 2007-05-06 2007-06-05 Loening, A.M.,Fenn, T.D.,Gambhir, S.S. Crystal Structures of the Luciferase and Green Fluorescent Protein from Renilla reniformis. J.Mol.Biol. 2007 374 1017 1028 2Q02 Crystal structure of a xylose isomerase domain containing protein (stm4435) from salmonella typhimurium lt2 at 2.40 A resolution 2007-05-18 2007-06-05 Joint Center for Structural Genomics (JCSG) Crystal structure of putative cytoplasmic protein (NP_463296.1) from Salmonella typhimurium LT2 at 2.40 A resolution To be published 0 0 0 0 2Q0Y Crystal structure of GCN5-related N-acetyltransferase (YP_295895.1) from Ralstonia eutropha JMP134 at 1.80 A resolution 2007-05-22 2007-06-05 Joint Center for Structural Genomics (JCSG) Crystal structure of GCN5-related N-acetyltransferase (YP_295895.1) from Ralstonia eutropha JMP134 at 1.80 A resolution To be published 0 0 0 0 2Q0T Crystal structure of a putative gamma-carboxymuconolactone decarboxylase subunit (bxe_b0980) from burkholderia xenovorans lb400 at 1.70 A resolution 2007-05-22 2007-06-12 Joint Center for Structural Genomics (JCSG) Crystal structure of putative gamma-carboxymuconolactone decarboxylase subunit (YP_554324.1) from Burkholderia xenovorans LB400 at 1.70 A resolution To be published 0 0 0 0 2Q3L 20944218 CRYSTAL STRUCTURE OF AN UNCHARACTERIZED PROTEIN FROM DUF3478 FAMILY WITH A SPOIIAA-LIKE FOLD (SHEW_3102) FROM SHEWANELLA LOIHICA PV-4 AT 2.25 A RESOLUTION 2007-05-30 2007-06-12 Kumar, A.,Lomize, A.,Jin, K.K.,Carlton, D.,Miller, M.D.,Jaroszewski, L.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Chiu, H.J.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Marciano, D.,McMullan, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Open and closed conformations of two SpoIIAA-like proteins (YP_749275.1 and YP_001095227.1) provide insights into membrane association and ligand binding. Acta Crystallogr.,Sect.F 2010 66 1245 1253 2Q7S Crystal structure of N-formylglutamate amidohydrolase (YP_297560.1) from Ralstonia eutropha JMP134 at 2.00 A resolution 2007-06-07 2007-06-19 Joint Center for Structural Genomics (JCSG) Crystal structure of N-formylglutamate amidohydrolase (YP_297560.1) from Ralstonia eutropha JMP134 at 2.00 A resolution To be published 0 0 0 0 2Q7X Crystal structure of a putative phospho transferase (sp_1565) from streptococcus pneumoniae tigr4 at 2.00 A resolution 2007-06-07 2007-06-19 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein SP_1565 (NP_346012.1) from Streptococcus pneumoniae TIGR4 at 2.00 A resolution To be published 0 0 0 0 2IP1 17426150 Crystal Structure Analysis of S. cerevisiae Tryptophanyl tRNA Synthetase 2006-10-11 2007-06-26 Malkowski, M.G.,Quartley, E.,Friedman, A.E.,Babulski, J.,Kon, Y.,Wolfley, J.,Said, M.,Luft, J.R.,Phizicky, E.M.,DeTitta, G.T.,Grayhack, E.J. Blocking S-adenosylmethionine synthesis in yeast allows selenomethionine incorporation and multiwavelength anomalous dispersion phasing. Proc.Natl.Acad.Sci.Usa 2007 104 6678 6683 2Q83 20077512 Crystal structure of ytaA (2635576) from Bacillus subtilis at 2.50 A resolution 2007-06-08 2007-06-26 Scheeff, E.D.,Axelrod, H.L.,Miller, M.D.,Chiu, H.J.,Deacon, A.M.,Wilson, I.A.,Manning, G. Genomics, evolution, and crystal structure of a new family of bacterial spore kinases. Proteins 2010 78 1470 1482 2Q8U 20122942 CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION 2007-06-11 2007-06-26 Das, D.,Moiani, D.,Axelrod, H.L.,Miller, M.D.,McMullan, D.,Jin, K.K.,Abdubek, P.,Astakhova, T.,Burra, P.,Carlton, D.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Ernst, D.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Grzechnik, S.K.,Han, G.W.,Jaroszewski, L.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Marciano, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Paulsen, J.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Tainer, J.A.,Wilson, I.A. Crystal structure of the first eubacterial Mre11 nuclease reveals novel features that may discriminate substrates during DNA repair. J.Mol.Biol. 2010 397 647 663 2Q8U 20122942 CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION 2007-06-11 2007-06-26 Das, D.,Moiani, D.,Axelrod, H.L.,Miller, M.D.,McMullan, D.,Jin, K.K.,Abdubek, P.,Astakhova, T.,Burra, P.,Carlton, D.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Ernst, D.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Grzechnik, S.K.,Han, G.W.,Jaroszewski, L.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Marciano, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Paulsen, J.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Tainer, J.A.,Wilson, I.A. Crystal structure of the first eubacterial Mre11 nuclease reveals novel features that may discriminate substrates during DNA repair. J.Mol.Biol. 2010 397 647 663 2QE6 CRYSTAL STRUCTURE OF A PUTATIVE METHYLTRANSFERASE (TFU_2867) FROM THERMOBIFIDA FUSCA YX AT 1.95 A RESOLUTION 2007-06-22 2007-07-03 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein Tfu_2867 (YP_290923.1) from Thermobifida fusca YX at 1.95 A resolution To be Published 0 0 0 0 2QEC Crystal structure of histone acetyltransferase HPA2 and related acetyltransferase (NP_600742.1) from Corynebacterium glutamicum ATCC 13032 at 1.90 A resolution 2007-06-25 2007-07-10 Joint Center for Structural Genomics (JCSG) Crystal structure of histone acetyltransferase HPA2 and related acetyltransferase (NP_600742.1) from Corynebacterium glutamicum ATCC 13032 at 1.90 A resolution To be published 0 0 0 0 2QEC Crystal structure of histone acetyltransferase HPA2 and related acetyltransferase (NP_600742.1) from Corynebacterium glutamicum ATCC 13032 at 1.90 A resolution 2007-06-25 2007-07-10 Joint Center for Structural Genomics (JCSG) Crystal structure of histone acetyltransferase HPA2 and related acetyltransferase (NP_600742.1) from Corynebacterium glutamicum ATCC 13032 at 1.90 A resolution To be published 0 0 0 0 2QEZ Crystal structure of ethanolamine ammonia-lyase heavy chain (YP_013784.1) from Listeria monocytogenes 4b F2365 at 2.15 A resolution 2007-06-26 2007-07-10 Joint Center for Structural Genomics (JCSG) Crystal structure of ethanolamine ammonia-lyase heavy chain (YP_013784.1) from Listeria monocytogenes 4b F2365 at 2.15 A resolution To be published 0 0 0 0 2QHP Crystal structure of fructokinase (NP_810670.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution 2007-07-02 2007-07-10 Joint Center for Structural Genomics (JCSG) Crystal structure of fructokinase (NP_810670.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution To be published 0 0 0 0 2QG3 CRYSTAL STRUCTURE OF A TYW3 METHYLTRANSFERASE-LIKE PROTEIN (AF_2059) FROM ARCHAEOGLOBUS FULGIDUS DSM 4304 AT 1.95 A RESOLUTION 2007-06-28 2007-07-17 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein AF2059 (2648472) from Archaeoglobus fulgidus at 1.95 A resolution To be published 0 0 0 0 2QIW Crystal structure of a putative phosphoenolpyruvate phosphonomutase (ncgl1015, cgl1060) from corynebacterium glutamicum atcc 13032 at 1.80 A resolution 2007-07-05 2007-07-17 Joint Center for Structural Genomics (JCSG) Crystal structure of putative PEP phosphonomutase (NP_600288.1) from Corynebacterium glutamicum ATCC 13032 Kitasato at 1.80 A resolution To be published 0 0 0 0 2PG5 17540336 Crystal Structure of Human Microsomal P450 2A6 N297Q 2007-04-06 2007-07-24 Sansen, S.,Hsu, M.H.,Stout, C.D.,Johnson, E.F. Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants. Arch.Biochem.Biophys. 2007 464 197 206 2QDR Crystal structure of a putative dioxygenase (npun_f5605) from nostoc punctiforme pcc 73102 at 2.60 A resolution 2007-06-21 2007-07-24 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (ZP_00345151.1) from Nostoc punctiforme PCC 73102 at 2.60 A resolution To be published 0 0 0 0 2QJW CRYSTAL STRUCTURE OF A PUTATIVE HYDROLASE OF THE ALPHA/BETA SUPERFAMILY (XCC1541) FROM XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS AT 1.35 A RESOLUTION 2007-07-09 2007-07-24 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein XCC1541 (NP_636912.1) from Xanthomonas campestris at 1.35 A resolution To be published 0 0 0 0 2QL8 Crystal structure of a putative redox protein (lsei_0423) from lactobacillus casei atcc 334 at 1.50 A resolution 2007-07-12 2007-07-24 Joint Center for Structural Genomics (JCSG) Crystal structure of putative redox protein (YP_805721.1) from Lactobacillus casei ATCC 334 at 1.50 A resolution To be published 0 0 0 0 2Q8P 17666394 Crystal Structure of selenomethionine labelled S. aureus IsdE complexed with heme 2007-06-11 2007-07-31 Grigg, J.C.,Vermeiren, C.L.,Heinrichs, D.E.,Murphy, M.E. Heme Coordination by Staphylococcus aureus IsdE. J.Biol.Chem. 2007 282 28815 28822 2QNL CRYSTAL STRUCTURE OF A PUTATIVE DNA DAMAGE-INDUCIBLE PROTEIN (CHU_0679) FROM CYTOPHAGA HUTCHINSONII ATCC 33406 AT 1.50 A RESOLUTION 2007-07-18 2007-07-31 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein CHU_0679 (YP_677306.1) from Cytophaga hutchinsonii ATCC 33406 at 1.50 A resolution To be published 0 0 0 0 2QCV CRYSTAL STRUCTURE OF a putative 5-dehydro-2-deoxygluconokinase (IOLC) FROM BACILLUS HALODURANS C-125 AT 1.90 A RESOLUTION 2007-06-19 2007-08-07 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative 5-dehydro-2-deoxygluconokinase (NP_243185.1) from Bacillus halodurans at 1.90 A resolution To be published 0 0 0 0 2QJV Crystal structure of an iolb-like protein (stm4420) from salmonella typhimurium lt2 at 1.90 A resolution 2007-07-09 2007-08-07 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized IolB-like protein (16422983) from Salmonella typhimurium LT2 at 1.90 A resolution To be published 0 0 0 0 2QPX Crystal structure of putative metal-dependent hydrolase (YP_805737.1) from Lactobacillus casei ATCC 334 at 1.40 A resolution 2007-07-25 2007-08-07 Joint Center for Structural Genomics (JCSG) Crystal structure of putative metal-dependent hydrolase (YP_805737.1) from Lactobacillus casei ATCC 334 at 1.40 A resolution To be published 0 0 0 0 2QNE Crystal structure of putative methyltransferase (ZP_00558420.1) from Desulfitobacterium hafniense Y51 at 2.30 A resolution 2007-07-18 2007-08-14 Joint Center for Structural Genomics (JCSG) Crystal structure of putative methyltransferase (ZP_00558420.1) from Desulfitobacterium hafniense Y51 at 2.30 A resolution To be published 0 0 0 0 2QNE Crystal structure of putative methyltransferase (ZP_00558420.1) from Desulfitobacterium hafniense Y51 at 2.30 A resolution 2007-07-18 2007-08-14 Joint Center for Structural Genomics (JCSG) Crystal structure of putative methyltransferase (ZP_00558420.1) from Desulfitobacterium hafniense Y51 at 2.30 A resolution To be published 0 0 0 0 2QR6 Crystal structure of IMP dehydrogenase/GMP reductase-like protein (NP_599840.1) from Corynebacterium glutamicum ATCC 13032 Kitasato at 1.50 A resolution 2007-07-27 2007-08-14 Joint Center for Structural Genomics (JCSG) Crystal structure of IMP dehydrogenase/GMP reductase-like protein (NP_599840.1) from Corynebacterium glutamicum ATCC 13032 Kitasato at 1.50 A resolution To be published 0 0 0 0 2QH7 17766440 MitoNEET is a uniquely folded 2Fe-2S outer mitochondrial membrane protein stabilized by pioglitazone 2007-06-30 2007-08-21 Paddock, M.L.,Wiley, S.E.,Axelrod, H.L.,Cohen, A.E.,Roy, M.,Abresch, E.C.,Capraro, D.,Murphy, A.N.,Nechushtai, R.,Dixon, J.E.,Jennings, P.A. MitoNEET is a uniquely folded 2Fe 2S outer mitochondrial membrane protein stabilized by pioglitazone. Proc.Natl.Acad.Sci.Usa 2007 104 14342 14347 2QS7 CRYSTAL STRUCTURE OF a putative oxidoreductase of the DsrE/DsrF-like family (SSO1126) FROM SULFOLOBUS SOLFATARICUS P2 AT 2.09 A RESOLUTION 2007-07-30 2007-08-21 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function (NP_342590.1) from Sulfolobus solfataricus at 2.09 A resolution To be published 0 0 0 0 2QS7 CRYSTAL STRUCTURE OF a putative oxidoreductase of the DsrE/DsrF-like family (SSO1126) FROM SULFOLOBUS SOLFATARICUS P2 AT 2.09 A RESOLUTION 2007-07-30 2007-08-21 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function (NP_342590.1) from Sulfolobus solfataricus at 2.09 A resolution To be published 0 0 0 0 2QTD 20944234 Crystal structure of a putative dinitrogenase (mj0327) from methanocaldococcus jannaschii dsm at 1.70 A resolution 2007-08-01 2007-08-21 Jaudzems, K.,Geralt, M.,Serrano, P.,Mohanty, B.,Horst, R.,Pedrini, B.,Elsliger, M.A.,Wilson, I.A.,Wuthrich, K. NMR structure of the protein NP_247299.1: comparison with the crystal structure. Acta Crystallogr.,Sect.F 2010 66 1367 1380 2QTQ Crystal structure of a predicted dna-binding transcriptional regulator (saro_1072) from novosphingobium aromaticivorans dsm at 1.85 A resolution 2007-08-02 2007-08-21 Joint Center for Structural Genomics (JCSG) Crystal structure of predicted DNA-binding transcriptional regulator (YP_496351.1) from Novosphingobium aromaticivorans DSM 12444 at 1.85 A resolution To be published 0 0 0 0 2QWZ CRYSTAL STRUCTURE OF A PUTATIVE THIOESTERASE (TM1040_1390) FROM SILICIBACTER SP. TM1040 AT 2.15 A RESOLUTION 2007-08-10 2007-08-21 Joint Center for Structural Genomics (JCSG) Crystal structure of putative thioesterase (YP_613385.1) from Silicibacter sp. TM1040 at 2.15 A resolution To be published 0 0 0 0 2QVP CRYSTAL STRUCTURE OF A PUTATIVE METALLOPEPTIDASE (SAMA_0725) FROM SHEWANELLA AMAZONENSIS SB2B AT 2.00 A RESOLUTION 2007-08-08 2007-08-28 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (YP_926603.1) from Shewanella amazonensis SB2B at 2.00 A resolution To be published 0 0 0 0 2QYC Crystal structure of a dimeric ferredoxin-like protein (bb1511) from bordetella bronchiseptica rb50 at 1.90 A resolution 2007-08-14 2007-08-28 Joint Center for Structural Genomics (JCSG) Crystal structure of dimeric ferredoxin-like protein (NP_888056.1) from Bordetella bronchiseptica at 1.90 A resolution To be published 0 0 0 0 2Q1H 17702911 Ancestral Corticoid Receptor in Complex with Aldosterone 2007-05-24 2007-09-04 Ortlund, E.A.,Bridgham, J.T.,Redinbo, M.R.,Thornton, J.W. Crystal structure of an ancient protein: evolution by conformational epistasis. Science 2007 317 1544 1548 2QML Crystal structure of an uncharacterized protein (bh2621) from bacillus halodurans at 1.55 A resolution 2007-07-16 2007-09-04 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein BH2621 (NP_243487.1) from Bacillus halodurans at 1.55 A resolution To be published 0 0 0 0 2QO3 17719492 Crystal Structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase 2007-07-19 2007-09-04 Tang, Y.,Chen, Y.A.,Kim, C.Y.,Cane, E.D.,Khosla, C. Structural and mechanistic analysis of protein interactions in module 3 of the 6-deoxyerythronolide B synthase Chem.Biol. 2007 14 931 943 2QVN 18602399 Crystal structure of adenosine deaminase from Plasmodium vivax in complex with guanosine 2007-08-08 2007-09-04 Larson, E.T.,Deng, W.,Krumm, B.E.,Napuli, A.,Mueller, N.,Van Voorhis, W.C.,Buckner, F.S.,Fan, E.,Lauricella, A.,DeTitta, G.,Luft, J.,Zucker, F.,Hol, W.G.,Verlinde, C.L.,Merritt, E.A. Structures of substrate- and inhibitor-bound adenosine deaminase from a human malaria parasite show a dramatic conformational change and shed light on drug selectivity. J.Mol.Biol. 2008 381 975 988 2QW5 CRYSTAL STRUCTURE OF A PUTATIVE SUGAR PHOSPHATE ISOMERASE/EPIMERASE (AVA4194) FROM ANABAENA VARIABILIS ATCC 29413 AT 1.78 A RESOLUTION 2007-08-09 2007-09-04 Joint Center for Structural Genomics (JCSG) Crystal structure of putative sugar phosphate isomerase/epimerase (YP_324688.1) from Anabaena variabilis ATCC 29413 at 1.78 A resolution To be published 0 0 0 0 2QZY 16819824 The structure of chicken mitochondrial PEPCK in complex with PEP 2007-08-17 2007-09-04 Holyoak, T.,Sullivan, S.M.,Nowak, T. Structural Insights into the Mechanism of PEPCK Catalysis Biochemistry 2006 45 8254 8263 2R01 Crystal structure of a putative fmn-dependent nitroreductase (ct0345) from chlorobium tepidum tls at 1.15 A resolution 2007-08-17 2007-09-04 Joint Center for Structural Genomics (JCSG) Crystal structure of putative FMN-dependent nitroreductase (NP_661249.1) from Chlorobium tepidum TLS at 1.15 A resolution To be published 0 0 0 0 2R0X Crystal structure of a putative flavin reductase (ycdh, hs_1225) from haemophilus somnus 129pt at 1.06 A resolution 2007-08-21 2007-09-04 Joint Center for Structural Genomics (JCSG) Crystal structure of putative flavin reductase (YP_719437.1) from Haemophilus somnus 129PT at 1.06 A resolution To be published 0 0 0 0 2R1I Crystal structure of putative acetyltransferase (YP_831484.1) from Arthrobacter sp. FB24 at 1.65 A resolution 2007-08-22 2007-09-11 Joint Center for Structural Genomics (JCSG) Crystal structure of putative acetyltransferase (YP_831484.1) from Arthrobacter sp. FB24 at 1.65 A resolution To be published 0 0 0 0 2R3B CRYSTAL STRUCTURE OF a ribokinase-like superfamily protein (EF1790) FROM ENTEROCOCCUS FAECALIS V583 AT 1.80 A RESOLUTION 2007-08-29 2007-09-11 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative kinase in the ribokinase-like superfamily from Enterococcus faecalis V583 (NP_815490.1) at 1.80 A resolution To be published 0 0 0 0 2R3E CRYSTAL STRUCTURE OF a ribokinase-like superfamily protein (EF1790) FROM ENTEROCOCCUS FAECALIS V583 AT 1.95 A RESOLUTION 2007-08-29 2007-09-11 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative kinase in the ribokinase-like superfamily from Enterococcus faecalis V583 (NP_815490.1) at 1.95 A resolution To be published 0 0 0 0 2R3S CRYSTAL STRUCTURE OF A PUTATIVE O-METHYLTRANSFERASE (NPUN_R0239) FROM NOSTOC PUNCTIFORME PCC 73102 AT 2.15 A RESOLUTION 2007-08-29 2007-09-11 Joint Center for Structural Genomics (JCSG) Crystal structure of an uncharacterized protein (ZP_00112478.1) from Nostoc punctiforme PCC 73102 at 2.15 A resolution To be published 0 0 0 0 2QIZ 17890322 Structure of the yeast U-box-containing ubiquitin ligase Ufd2p 2007-07-06 2007-09-18 Tu, D.,Li, W.,Ye, Y.,Brunger, A.T. Inaugural Article: Structure and function of the yeast U-box-containing ubiquitin ligase Ufd2p. Proc.Natl.Acad.Sci.Usa 2007 104 15599 15606 2QJ0 17890322 Structure of the yeast U-box-containing ubiquitin ligase Ufd2p 2007-07-06 2007-09-18 Tu, D.,Li, W.,Ye, Y.,Brunger, A.T. Inaugural Article: Structure and function of the yeast U-box-containing ubiquitin ligase Ufd2p. Proc.Natl.Acad.Sci.Usa 2007 104 15599 15606 2R44 CRYSTAL STRUCTURE OF A PUTATIVE ATPASE (CHU_0153) FROM CYTOPHAGA HUTCHINSONII ATCC 33406 AT 2.00 A RESOLUTION 2007-08-30 2007-09-18 Joint Center for Structural Genomics (JCSG) Crystal structure of putative ATPase (YP_676785.1) from Cytophaga hutchinsonii ATCC 33406 at 2.00 A resolution To be published 0 0 0 0 2R6V Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii at 1.35 A resolution 2007-09-06 2007-09-25 Joint Center for Structural Genomics (JCSG) Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii at 1.35 A resolution To be published 0 0 0 0 2R7H CRYSTAL STRUCTURE OF A putative acetyltransferase of the GNAT family (DDE_3044) FROM DESULFOVIBRIO DESULFURICANS SUBSP. AT 1.85 A RESOLUTION 2007-09-07 2007-09-25 Joint Center for Structural Genomics (JCSG) Crystal structure of putative D-alanine N-acetyltransferase of GNAT family (YP_389533.1) from Desulfovibrio desulfuricans G20 at 1.85 A resolution To be published 0 0 0 0 2PV2 17825319 Crystallographic Structure of SurA first peptidyl-prolyl isomerase domain complexed with peptide NFTLKFWDIFRK 2007-05-09 2007-10-02 Xu, X.,Wang, S.,Hu, Y.X.,McKay, D.B. The Periplasmic Bacterial Molecular Chaperone SurA Adapts its Structure to Bind Peptides in Different Conformations to Assert a Sequence Preference for Aromatic Residues. J.Mol.Biol. 2007 373 367 381 2PV3 17825319 Crystallographic Structure of SurA fragment lacking the second peptidyl-prolyl isomerase domain complexed with peptide NFTLKFWDIFRK 2007-05-09 2007-10-02 Xu, X.,Wang, S.,Hu, Y.X.,McKay, D.B. The Periplasmic Bacterial Molecular Chaperone SurA Adapts its Structure to Bind Peptides in Different Conformations to Assert a Sequence Preference for Aromatic Residues. J.Mol.Biol. 2007 373 367 381 2R4I CRYSTAL STRUCTURE OF A NTF2-LIKE PROTEIN (CHU_1428) FROM CYTOPHAGA HUTCHINSONII ATCC 33406 AT 1.60 A RESOLUTION 2007-08-31 2007-10-02 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-like protein of unknown function (YP_678039.1) from Cytophaga hutchinsonii ATCC 33406 at 1.60 A resolution To be published 0 0 0 0 2RAA Crystal structure of pyruvate oxidoreductase subunit PORC (EC 1.2.7.1) (TM0015) from Thermotoga maritima at 2.12 A resolution 2007-09-14 2007-10-02 Joint Center for Structural Genomics (JCSG) Crystal structure of pyruvate oxidoreductase subunit PORC (EC 1.2.7.1) (TM0015) from Thermotoga maritima at 2.12 A resolution To be published 0 0 0 0 2RAF Crystal structure of putative dinucleotide-binding oxidoreductase (NP_786167.1) from Lactobacillus plantarum at 1.60 A resolution 2007-09-14 2007-10-02 Joint Center for Structural Genomics (JCSG) Crystal structure of putative dinucleotide-binding oxidoreductase (NP_786167.1) from Lactobacillus plantarum at 1.60 A resolution To be published 0 0 0 0 2RB7 Crystal structure of co-catalytic metallopeptidase (YP_387682.1) from Desulfovibrio desulfuricans G20 at 1.60 A resolution 2007-09-18 2007-10-02 Joint Center for Structural Genomics (JCSG) Crystal structure of co-catalytic metallopeptidase (YP_387682.1) from Desulfovibrio desulfuricans G20 at 1.60 A resolution To be published 0 0 0 0 2RBD CRYSTAL STRUCTURE OF A PUTATIVE SPORE COAT PROTEIN (BH2358) FROM BACILLUS HALODURANS C-125 AT 1.54 A RESOLUTION 2007-09-18 2007-10-02 Joint Center for Structural Genomics (JCSG) Crystal structure of a domain with unknown function and a ferritin-like fold (NP_243224.1) from Bacillus halodurans at 1.54 A resolution To be published 0 0 0 0 2RCC Crystal structure of putative class I ribonucleotide reductase (NP_241368.1) from Bacillus halodurans at 1.90 A resolution 2007-09-19 2007-10-02 Joint Center for Structural Genomics (JCSG) Crystal structure of putative class I ribonucleotide reductase (NP_241368.1) from Bacillus halodurans at 1.90 A resolution To be published 0 0 0 0 2RCD CRYSTAL STRUCTURE OF A PROTEIN WITH UNKNOWN FUNCTION FROM DUF3225 FAMILY (ECA3500) FROM PECTOBACTERIUM ATROSEPTICUM SCRI1043 AT 2.32 A RESOLUTION 2007-09-19 2007-10-02 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein conserved in bacteria with a cystatin-like fold (YP_051588.1) from Erwinia carotovora subsp. atroseptica SCRI1043 at 2.32 A resolution To be published 0 0 0 0 2PXY 17694060 Crystal structures of immune receptor complexes 2007-05-14 2007-10-09 Feng, D.,Bond, C.J.,Ely, L.K.,Maynard, J.,Garcia, K.C. Structural evidence for a germline-encoded T cell receptor-major histocompatibility complex interaction 'codon'. Nat.Immunol. 2007 8 975 983 2RAU Crystal structure of a putative lipase (NP_343859.1) from Sulfolobus solfataricus at 1.85 A resolution 2007-09-17 2007-10-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative lipase (NP_343859.1) from Sulfolobus solfataricus at 1.85 A resolution To be published 0 0 0 0 2RD9 Crystal structure of a putative yfit-like metal-dependent hydrolase (bh0186) from bacillus halodurans c-125 at 2.30 A resolution 2007-09-21 2007-10-09 Joint Center for Structural Genomics (JCSG) Crystal structure of YfiT-like putative metal-dependent hydrolase (NP_241052.1) from Bacillus halodurans at 2.30 A resolution To be published 0 0 0 0 2RE3 20944214 CRYSTAL STRUCTURE OF a DUF1285 family protein (SPO_0140) FROM SILICIBACTER POMEROYI DSS-3 AT 2.50 A RESOLUTION 2007-09-25 2007-10-09 Han, G.W.,Bakolitsa, C.,Miller, M.D.,Kumar, A.,Carlton, D.,Najmanovich, R.J.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Chen, C.,Chiu, H.J.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Ernst, D.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Jaroszewski, L.,Jin, K.K.,Johnson, H.A.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Marciano, D.,McMullan, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structures of the first representatives of Pfam family PF06938 (DUF1285) reveal a new fold with repeated structural motifs and possible involvement in signal transduction. Acta Crystallogr.,Sect.F 2010 66 1218 1225 2Z31 17694060 Crystal structure of immune receptor complex 2007-05-30 2007-10-09 Feng, D.,Bond, C.J.,Ely, L.K.,Maynard, J.,Garcia, K.C. Structural evidence for a germline-encoded T cell receptor-major histocompatibility complex interaction 'codon' Nat.Immunol. 2007 8 975 983 2Z35 17694060 Crystal structure of immune receptor 2007-06-01 2007-10-09 Feng, D.,Bond, C.J.,Ely, L.K.,Maynard, J.,Garcia, K.C. Structural evidence for a germline-encoded T cell receptor-major histocompatibility complex interaction 'codon' Nat.Immunol. 2007 8 975 983 2R9S 17911023 c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor 2007-09-13 2007-10-16 Jiang, R.,Duckett, D.,Chen, W.,Habel, J.,Ling, Y.Y.,LoGrasso, P.,Kamenecka, T.M. 3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors. Bioorg.Med.Chem.Lett. 2007 17 6378 6382 2RAS Crystal structure of a putative tetr/acrr family transcriptional regulator (saro_0558) from novosphingobium aromaticivorans dsm at 1.80 A resolution 2007-09-17 2007-10-16 Joint Center for Structural Genomics (JCSG) Crystal structure of predicted transcriptional regulator of TetR/AcrR family (YP_495839.1) from Novosphingobium aromaticivorans DSM 12444 at 1.80 A resolution To be published 0 0 0 0 2NNH 18413310 CYP2C8dH complexed with 2 molecules of 9-cis retinoic acid 2006-10-24 2007-10-23 Schoch, G.A.,Yano, J.K.,Sansen, S.,Dansette, P.M.,Stout, C.D.,Johnson, E.F. Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid. J.Biol.Chem. 2008 283 17227 17237 2O1U 17936703 Structure of full length GRP94 with AMP-PNP bound 2006-11-29 2007-10-23 Dollins, D.E.,Warren, J.J.,Immormino, R.M.,Gewirth, D.T. Structures of GRP94-Nucleotide Complexes Reveal Mechanistic Differences between the hsp90 Chaperones. Mol.Cell 2007 28 41 56 2Q3Z 18092889 Transglutaminase 2 undergoes large conformational change upon activation 2007-05-30 2007-10-23 Pinkas, D.M.,Strop, P.,Brunger, A.T.,Khosla, C. Transglutaminase 2 undergoes a large conformational change upon activation Plos Biol. 2007 5 0 0 2Q59 17937915 Crystal Structure of PPARgamma LBD bound to full agonist MRL20 2007-05-31 2007-10-23 Bruning, J.B.,Chalmers, M.J.,Prasad, S.,Busby, S.A.,Kamenecka, T.M.,He, Y.,Nettles, K.W.,Griffin, P.R. Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism Structure 2007 15 1258 1271 2Q5S 17937915 Crystal Structure of PPARgamma bound to partial agonist nTZDpa 2007-06-01 2007-10-23 Bruning, J.B.,Chalmers, M.J.,Prasad, S.,Busby, S.A.,Kamenecka, T.M.,He, Y.,Nettles, K.W.,Griffin, P.R. Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism Structure 2007 15 1258 1271 2Q61 17937915 Crystal Structure of PPARgamma ligand binding domain bound to partial agonist SR145 2007-06-04 2007-10-23 Bruning, J.B.,Chalmers, M.J.,Prasad, S.,Busby, S.A.,Kamenecka, T.M.,He, Y.,Nettles, K.W.,Griffin, P.R. Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism Structure 2007 15 1258 1271 2RHA Crystal structure of a predicted dna-binding transcriptional regulator (saro_1072) from novosphingobium aromaticivorans dsm at 2.10 A resolution 2007-10-08 2007-10-30 Joint Center for Structural Genomics (JCSG) Crystal structure of predicted DNA-binding transcriptional regulator (YP_496351.1) from Novosphingobium aromaticivorans DSM 12444 at 2.10 A resolution To be published 0 0 0 0 2Q6N 17887776 Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole 2007-06-05 2007-11-06 Zhao, Y.,Sun, L.,Muralidhara, B.K.,Kumar, S.,White, M.A.,Stout, C.D.,Halpert, J.R. Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4. Biochemistry 2007 46 11559 11567 2QQM 17989695 Crystal Structure of the a2b1b2 Domains from Human Neuropilin-1 2007-07-26 2007-11-20 Appleton, B.A.,Wu, P.,Maloney, J.,Yin, J.,Liang, W.C.,Stawicki, S.,Mortara, K.,Bowman, K.K.,Elliott, J.M.,Desmarais, W.,Bazan, J.F.,Bagri, A.,Tessier-Lavigne, M.,Koch, A.W.,Wu, Y.,Watts, R.J.,Wiesmann, C. Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding Embo J. 2007 26 4902 4912 2QQN 17989695 Neuropilin-1 b1 Domain in Complex with a VEGF-Blocking Fab 2007-07-26 2007-11-20 Appleton, B.A.,Wu, P.,Maloney, J.,Yin, J.,Liang, W.C.,Stawicki, S.,Mortara, K.,Bowman, K.K.,Elliott, J.M.,Desmarais, W.,Bazan, J.F.,Bagri, A.,Tessier-Lavigne, M.,Koch, A.W.,Wu, Y.,Watts, R.J.,Wiesmann, C. Structural studies of neuropilin/antibody complexes provide insights into semaphorin and VEGF binding Embo J. 2007 26 4902 4912 3B5N 17956869 Structure of the yeast plasma membrane SNARE complex 2007-10-26 2007-11-20 Strop, P.,Kaiser, S.E.,Vrljic, M.,Brunger, A.T. The Structure of the Yeast Plasma Membrane SNARE Complex Reveals Destabilizing Water-filled Cavities. J.Biol.Chem. 2008 283 1113 1119 3B9V 18045863 Crystal Structure of an Autonomous VH Domain 2007-11-06 2007-11-20 Barthelemy, P.A.,Raab, H.,Appleton, B.A.,Bond, C.J.,Wu, P.,Wiesmann, C.,Sidhu, S.S. Comprehensive Analysis of the Factors Contributing to the Stability and Solubility of Autonomous Human VH Domains. J.Biol.Chem. 2008 283 3639 3654 2OKW 18305194 A non-invasive GFP-based biosensor for mercury ions 2007-01-17 2007-12-04 Chapleau, R.R.,Blomberg, R.,Ford, P.C.,Sagermann, M. Design of a highly specific and noninvasive biosensor suitable for real-time in vivo imaging of mercury (II) uptake. Protein Sci. 2008 17 614 622 2OKY 18305194 A non-invasive GFP-based biosensor for mercury ions 2007-01-18 2007-12-04 Chapleau, R.R.,Blomberg, R.,Ford, P.C.,Sagermann, M. Design of a highly specific and noninvasive biosensor suitable for real-time in vivo imaging of mercury (II) uptake. Protein Sci. 2008 17 614 622 3B5D 18024586 EmrE multidrug transporter in complex with TPP, C2 crystal form 2007-10-25 2007-12-04 Chen, Y.J.,Pornillos, O.,Lieu, S.,Ma, C.,Chen, A.P.,Chang, G. X-ray structure of EmrE supports dual topology model. Proc.Natl.Acad.Sci.Usa 2007 104 18999 19004 3B5W 18024585 Crystal Structure of Eschericia coli MsbA 2007-10-26 2007-12-04 Ward, A.,Reyes, C.L.,Yu, J.,Roth, C.B.,Chang, G. Flexibility in the ABC transporter MsbA: Alternating access with a twist. Proc.Natl.Acad.Sci.Usa 2007 104 19005 19010 3B5Z 18024585 Crystal Structure of MsbA from Salmonella typhimurium with ADP Vanadate 2007-10-26 2007-12-04 Ward, A.,Reyes, C.L.,Yu, J.,Roth, C.B.,Chang, G. Flexibility in the ABC transporter MsbA: Alternating access with a twist. Proc.Natl.Acad.Sci.Usa 2007 104 19005 19010 3B61 18024586 EmrE multidrug transporter, apo crystal form 2007-10-26 2007-12-04 Chen, Y.J.,Pornillos, O.,Lieu, S.,Ma, C.,Chen, A.P.,Chang, G. X-ray structure of EmrE supports dual topology model. Proc.Natl.Acad.Sci.Usa 2007 104 18999 19004 3B62 18024586 EmrE multidrug transporter in complex with P4P, P21 crystal form 2007-10-26 2007-12-04 Chen, Y.J.,Pornillos, O.,Lieu, S.,Ma, C.,Chen, A.P.,Chang, G. X-ray structure of EmrE supports dual topology model. Proc.Natl.Acad.Sci.Usa 2007 104 18999 19004 2R02 18066081 Crystal Structure of ALIX/AIP1 in complex with the HIV-1 YPLTSL Late Domain 2007-08-17 2007-12-18 Zhai, Q.,Fisher, R.D.,Chung, H.Y.,Myszka, D.G.,Sundquist, W.I.,Hill, C.P. Structural and functional studies of ALIX interactions with YPX(n)L late domains of HIV-1 and EIAV. Nat.Struct.Mol.Biol. 2008 15 43 49 2R03 18066081 Crystal Structure of ALIX/AIP1 in complex with the YPDL Late Domain 2007-08-17 2007-12-18 Zhai, Q.,Fisher, R.D.,Chung, H.Y.,Myszka, D.G.,Sundquist, W.I.,Hill, C.P. Structural and functional studies of ALIX interactions with YPX(n)L late domains of HIV-1 and EIAV. Nat.Struct.Mol.Biol. 2008 15 43 49 2R05 18066081 Crystal Structure of ALIX/AIP1 in complex with the HIV-1 YPLASL Late Domain 2007-08-17 2007-12-18 Zhai, Q.,Fisher, R.D.,Chung, H.Y.,Myszka, D.G.,Sundquist, W.I.,Hill, C.P. Structural and functional studies of ALIX interactions with YPX(n)L late domains of HIV-1 and EIAV. Nat.Struct.Mol.Biol. 2008 15 43 49 3BJQ CRYSTAL STRUCTURE OF A PHAGE-RELATED PROTEIN (BB3626) FROM BORDETELLA BRONCHISEPTICA RB50 AT 2.05 A RESOLUTION 2007-12-04 2007-12-18 Joint Center for Structural Genomics (JCSG) Crystal structure of phage-related protein (NP_890161.1) from Bordetella bronchiseptica at 2.05 A resolution To be published 0 0 0 0 3BKW Crystal structure of S-adenosylmethionine dependent methyltransferase (NP_104914.1) from Mesorhizobium loti at 1.60 A resolution 2007-12-07 2007-12-18 Joint Center for Structural Genomics (JCSG) Crystal structure of S-adenosylmethionine dependent methyltransferase (NP_104914.1) from Mesorhizobium loti at 1.60 A resolution To be published 0 0 0 0 3BKX Crystal structure of cyclopropane-fatty-acyl-phospholipid synthase-like protein (YP_807781.1) from Lactobacillus casei ATCC 334 at 1.85 A resolution 2007-12-07 2007-12-18 Joint Center for Structural Genomics (JCSG) Crystal structure of cyclopropane-fatty-acyl-phospholipid synthase-like protein (YP_807781.1) from Lactobacillus casei ATCC 334 at 1.85 A resolution To be published 0 0 0 0 3BL4 Crystal structure of a protein with unknown function (arth_0117) from arthrobacter sp. fb24 at 2.20 A resolution 2007-12-10 2007-12-18 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein (YP_829618.1) from Arthrobacter sp. FB24 at 2.20 A resolution To be published 0 0 0 0 3BM7 CRYSTAL STRUCTURE OF A PUTATIVE ANTIBIOTIC BIOSYNTHESIS MONOOXYGENASE (CC_2132) FROM CAULOBACTER CRESCENTUS CB15 AT 1.35 A RESOLUTION 2007-12-12 2007-12-25 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function with ferredoxin-like fold (NP_420935.1) from Caulobacter crescentus at 1.35 A resolution To be published 0 0 0 0 3BN7 CRYSTAL STRUCTURE OF A DIMERIC FERREDOXIN-LIKE PROTEIN (CC_2267) FROM CAULOBACTER CRESCENTUS CB15 AT 1.64 A RESOLUTION 2007-12-13 2007-12-25 Joint Center for Structural Genomics (JCSG) Crystal structure of dimeric ferredoxin-like protein (NP_421070.1) from Caulobacter crescentus at 1.64 A resolution To be published 0 0 0 0 2QSC 18068724 Crystal structure analysis of anti-HIV-1 V3-Fab F425-B4e8 in complex with a V3-peptide 2007-07-30 2008-01-15 Bell, C.H.,Pantophlet, R.,Schiefner, A.,Cavacini, L.A.,Stanfield, R.L.,Burton, D.R.,Wilson, I.A. Structure of antibody F425-B4e8 in complex with a V3 peptide reveals a new binding mode for HIV-1 neutralization. J.Mol.Biol. 2008 375 969 978 2RK3 18181649 Structure of A104T DJ-1 2007-10-16 2008-01-15 Lakshminarasimhan, M.,Maldonado, M.T.,Zhou, W.,Fink, A.L.,Wilson, M.A. Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1. Biochemistry 2008 47 1381 1392 2RK4 18181649 Structure of M26I DJ-1 2007-10-16 2008-01-15 Lakshminarasimhan, M.,Maldonado, M.T.,Zhou, W.,Fink, A.L.,Wilson, M.A. Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1. Biochemistry 2008 47 1381 1392 3BOS 19000695 Crystal structure of a putative dna replication regulator HDA (SAMA_1916) from Shewanella amazonensis sb2b at 1.75 A resolution 2007-12-17 2008-01-15 Xu, Q.,McMullan, D.,Abdubek, P.,Astakhova, T.,Carlton, D.,Chen, C.,Chiu, H.J.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Elsliger, M.A.,Feuerhelm, J.,Hale, J.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Johnson, H.A.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Sri Krishna, S.,Kumar, A.,Marciano, D.,Miller, M.D.,Morse, A.T.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Oommachen, S.,Paulsen, J.,Puckett, C.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Trame, C.,van den Bedem, H.,Weekes, D.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. A structural basis for the regulatory inactivation of DnaA. J.Mol.Biol. 2009 385 368 380 2PJ7 18219114 CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-[((R)-1-benzenesulfonylamino-2-methyl-propyl)-hydroxy-phosphinoyl]-propionic acid COMPLEX 2007-04-15 2008-01-22 Adler, M.,Buckman, B.,Bryant, J.,Chang, Z.,Chu, K.,Emayan, K.,Hrvatin, P.,Islam, I.,Morser, J.,Sukovich, D.,West, C.,Yuan, S.,Whitlow, M. Structures of potent selective peptide mimetics bound to carboxypeptidase B. Acta Crystallogr.,Sect.D 2008 64 149 157 2PJ8 18219114 CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(biphenyl-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX 2007-04-15 2008-01-22 Adler, M.,Buckman, B.,Bryant, J.,Chang, Z.,Chu, K.,Emayan, K.,Hrvatin, P.,Islam, I.,Morser, J.,Sukovich, D.,West, C.,Yuan, S.,Whitlow, M. Structures of potent selective peptide mimetics bound to carboxypeptidase B. Acta Crystallogr.,Sect.D 2008 64 149 157 2PJ9 18219114 CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX 2007-04-15 2008-01-22 Adler, M.,Buckman, B.,Bryant, J.,Chang, Z.,Chu, K.,Emayan, K.,Hrvatin, P.,Islam, I.,Morser, J.,Sukovich, D.,West, C.,Yuan, S.,Whitlow, M. Structures of potent selective peptide mimetics bound to carboxypeptidase B. Acta Crystallogr.,Sect.D 2008 64 149 157 3BWV Crystal structure of deoxyribonucleotidase-like protein (NP_764060.1) from Staphylococcus epidermidis ATCC 12228 at 1.55 A resolution 2008-01-10 2008-01-22 Joint Center for Structural Genomics (JCSG) Crystal structure of deoxyribonucleotidase-like protein (NP_764060.1) from Staphylococcus epidermidis ATCC 12228 at 1.55 A resolution To be published 0 0 0 0 3BWX Crystal structure of an alpha/beta hydrolase (YP_496220.1) from Novosphingobium aromaticivorans DSM 12444 at 1.50 A resolution 2008-01-10 2008-01-22 Joint Center for Structural Genomics (JCSG) Crystal structure of an alpha/beta hydrolase (YP_496220.1) from Novosphingobium aromaticivorans DSM 12444 at 1.50 A resolution To be published 0 0 0 0 3BXP CRYSTAL STRUCTURE OF A PUTATIVE CARBOXYLESTERASE (LP_2923) FROM LACTOBACILLUS PLANTARUM WCFS1 AT 1.70 A RESOLUTION 2008-01-14 2008-01-29 Joint Center for Structural Genomics (JCSG) Crystal structure of putative carboxylesterase (NP_786266.1) from Lactobacillus plantarum at 1.70 A resolution To be published 0 0 0 0 3BYQ 20944209 Crystal structure of a duf1185 family protein (bb2672) from bordetella bronchiseptica rb50 at 1.70 A resolution 2008-01-16 2008-01-29 Bakolitsa, C.,Kumar, A.,Jin, K.K.,McMullan, D.,Krishna, S.S.,Miller, M.D.,Abdubek, P.,Acosta, C.,Astakhova, T.,Axelrod, H.L.,Burra, P.,Carlton, D.,Chen, C.,Chiu, H.J.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Elias, Y.,Ellrott, K.,Ernst, D.,Farr, C.L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Grzechnik, S.K.,Han, G.W.,Jaroszewski, L.,Johnson, H.A.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Marciano, D.,Morse, A.T.,Murphy, K.D.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Paulsen, J.,Puckett, C.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,Trout, C.V.,van den Bedem, H.,Weekes, D.,White, A.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structures of the first representatives of Pfam family PF06684 (DUF1185) reveal a novel variant of the Bacillus chorismate mutase fold and suggest a role in amino-acid metabolism. Acta Crystallogr.,Sect.F 2010 66 1182 1189 2PJY 18243111 Structural basis for cooperative assembly of the TGF-beta signaling complex 2007-04-16 2008-02-05 Groppe, J.,Hinck, C.S.,Samavarchi-Tehrani, P.,Zubieta, C.,Schuermann, J.P.,Taylor, A.B.,Schwarz, P.M.,Wrana, J.L.,Hinck, A.P. Cooperative assembly of TGF-beta superfamily signaling complexes is mediated by two disparate mechanisms and distinct modes of receptor binding. Mol.Cell 2008 29 157 168 2QGB 18095641 Human transthyretin (TTR) in Apo-form 2007-06-28 2008-02-05 Johnson, S.M.,Connelly, S.,Wilson, I.A.,Kelly, J.W. Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors. J.Med.Chem. 2008 51 260 270 2QGC 18095641 Human transthyretin (TTR) complexed with 2-(3,5-Dimethyl-4-hydroxyphenyl)benzoxazole 2007-06-28 2008-02-05 Johnson, S.M.,Connelly, S.,Wilson, I.A.,Kelly, J.W. Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors. J.Med.Chem. 2008 51 260 270 2QGD 18095641 Human transthyretin (TTR) complexed with 2-(3,5-Dibromo-4-hydroxyphenyl)benzoxazole 2007-06-28 2008-02-05 Johnson, S.M.,Connelly, S.,Wilson, I.A.,Kelly, J.W. Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors. J.Med.Chem. 2008 51 260 270 2QGE 18095641 Human transthyretin (TTR) complexed with 2-(3,5-Dimethylphenyl)benzoxazole 2007-06-28 2008-02-05 Johnson, S.M.,Connelly, S.,Wilson, I.A.,Kelly, J.W. Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors. J.Med.Chem. 2008 51 260 270 3BBP 18243103 Rab6-GTP:GCC185 Rab binding domain complex 2007-11-09 2008-02-05 Burguete, A.S.,Fenn, T.D.,Brunger, A.T.,Pfeffer, S.R. Rab and Arl GTPase family members cooperate in the localization of the golgin GCC185. Cell(Cambridge,Mass.) 2008 132 286 298 3BPL 18243101 Crystal structure of the IL4-IL4R-Common Gamma ternary complex 2007-12-18 2008-02-05 Laporte, S.L.,Juo, Z.S.,Vaclavikova, J.,Colf, L.A.,Qi, X.,Heller, N.M.,Keegan, A.D.,Garcia, K.C. Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System. Cell(Cambridge,Mass.) 2008 132 259 272 3C1L Crystal structure of an antioxidant defense protein (mlr4105) from mesorhizobium loti maff303099 at 2.00 A resolution 2008-01-23 2008-02-05 Joint Center for Structural Genomics (JCSG) Crystal structure of putative antioxidant defense protein (NP_105057.1) from Mesorhizobium loti at 2.00 A resolution To be published 0 0 0 0 3C24 Crystal structure of a putative oxidoreductase (YP_511008.1) from Jannaschia sp. CCS1 at 1.62 A resolution 2008-01-24 2008-02-05 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative oxidoreductase (YP_511008.1) from Jannaschia sp. CCS1 at 1.62 A resolution To be published 0 0 0 0 3C26 Crystal structure of a putative acetyltransferase (NP_394282.1) from Thermoplasma acidophilum at 2.00 A resolution 2008-01-24 2008-02-05 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative acetyltransferase (NP_394282.1) from Thermoplasma acidophilum at 2.00 A resolution To be published 0 0 0 0 3C3P Crystal structure of a methyltransferase (NP_951602.1) from Geobacter sulfurreducens at 1.90 A resolution 2008-01-28 2008-02-05 Joint Center for Structural Genomics (JCSG) Crystal structure of a methyltransferase (NP_951602.1) from Geobacter sulfurreducens at 1.90 A resolution To be published 0 0 0 0 2R83 17956130 Crystal structure analysis of human synaptotagmin 1 C2A-C2B 2007-09-10 2008-02-12 Fuson, K.L.,Montes, M.,Robert, J.J.,Sutton, R.B. Structure of human synaptotagmin 1 C2AB in the absence of Ca2+ reveals a novel domain association. Biochemistry 2007 46 13041 13048 3C18 Crystal structure of nucleotidyltransferase-like protein (ZP_00538802.1) from Exiguobacterium sibiricum 255-15 at 1.90 A resolution 2008-01-22 2008-02-12 Joint Center for Structural Genomics (JCSG) Crystal structure of nucleotidyltransferase-like protein (ZP_00538802.1) from Exiguobacterium sibiricum 255-15 at 1.90 A resolution To be published 0 0 0 0 3B7Q 18243114 Crystal Structure of Yeast Sec14 Homolog Sfh1 in Complex with Phosphatidylcholine 2007-10-31 2008-02-19 Schaaf, G.,Ortlund, E.A.,Tyeryar, K.R.,Mousley, C.J.,Ile, K.E.,Garrett, T.A.,Ren, J.,Woolls, M.J.,Raetz, C.R.,Redinbo, M.R.,Bankaitis, V.A. Functional anatomy of phospholipid binding and regulation of phosphoinositide homeostasis by proteins of the sec14 superfamily Mol.Cell 2008 29 191 206 3C5Y Crystal structure of a putative ribose 5-phosphate isomerase (saro_3514) from novosphingobium aromaticivorans dsm at 1.81 A resolution 2008-02-01 2008-02-19 Joint Center for Structural Genomics (JCSG) Crystal structure of putative ribose 5-phosphate isomerase (YP_001165900.1) from Novosphingobium aromaticivorans DSM 12444 at 1.81 A resolution To be published 0 0 0 0 3C8W Crystal structure of acetoacetate decarboxylase (ADC) (YP_094708.1) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 1.60 A resolution 2008-02-13 2008-02-26 Joint Center for Structural Genomics (JCSG) Crystal structure of acetoacetate decarboxylase (ADC) (YP_094708.1) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 1.60 A resolution To be published 0 0 0 0 3CBU Crystal structure of a putative glutathione s-transferase (reut_a1011) from ralstonia eutropha jmp134 at 2.05 A resolution 2008-02-22 2008-03-04 Joint Center for Structural Genomics (JCSG) Crystal structure of putative glutathione S-transferase (YP_295234.1) from Ralstonia eutropha JMP134 at 2.05 A resolution To be published 0 0 0 0 3CCG Crystal structure of predicted HD superfamily hydrolase involved in NAD metabolism (NP_347894.1) from Clostridium acetobutylicum at 1.50 A resolution 2008-02-25 2008-03-11 Joint Center for Structural Genomics (JCSG) Crystal structure of predicted HD superfamily hydrolase involved in NAD metabolism (NP_347894.1) from Clostridium acetobutylicum at 1.50 A resolution To be published 0 0 0 0 3CE8 Crystal structure of a duf3240 family protein (sbal_0098) from shewanella baltica os155 at 2.40 A resolution 2008-02-28 2008-03-11 Joint Center for Structural Genomics (JCSG) Crystal structure of putative PII-like nitrogen regulatory protein (YP_001048502.1) from Shewanella baltica OS155 at 2.40 A resolution To be published 0 0 0 0 3CEA Crystal structure of myo-inositol 2-dehydrogenase (NP_786804.1) from Lactobacillus plantarum at 2.40 A resolution 2008-02-28 2008-03-11 Joint Center for Structural Genomics (JCSG) Crystal structure of myo-inositol 2-dehydrogenase (NP_786804.1) from Lactobacillus plantarum at 2.40 A resolution To be published 0 0 0 0 3CEC Crystal structure of a putative antidote protein of plasmid maintenance system (npun_f2943) from nostoc punctiforme pcc 73102 at 1.60 A resolution 2008-02-28 2008-03-11 Joint Center for Structural Genomics (JCSG) Crystal structure of putative antidote protein of plasmid maintenance system (ZP_00107635.1) from Nostoc punctiforme PCC 73102 at 1.60 A resolution To be published 0 0 0 0 2QA6 18344977 Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol 2007-06-14 2008-03-18 Nettles, K.W.,Bruning, J.B.,Gil, G.,Nowak, J.,Sharma, S.K.,Hahm, J.B.,Kulp, K.,Hochberg, R.B.,Zhou, H.,Katzenellenbogen, J.A.,Katzenellenbogen, B.S.,Kim, Y.,Joachmiak, A.,Greene, G.L. NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol. 2008 4 241 247 2QR9 18344977 Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic Derivative Compound 2007-07-27 2008-03-18 Nettles, K.W.,Bruning, J.B.,Gil, G.,Nowak, J.,Sharma, S.K.,Hahm, J.B.,Kulp, K.,Hochberg, R.B.,Zhou, H.,Katzenellenbogen, J.A.,Katzenellenbogen, B.S.,Kim, Y.,Joachmiak, A.,Greene, G.L. NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol. 2008 4 241 247 2QSE 18344977 Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain complexed with Burned Meat Compound 4-OH-PhIP 2007-07-30 2008-03-18 Nettles, K.W.,Bruning, J.B.,Gil, G.,Nowak, J.,Sharma, S.K.,Hahm, J.B.,Kulp, K.,Hochberg, R.B.,Zhou, H.,Katzenellenbogen, J.A.,Katzenellenbogen, B.S.,Kim, Y.,Joachmiak, A.,Greene, G.L. NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol. 2008 4 241 247 2QXM 18344977 Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP 2007-08-12 2008-03-18 Nettles, K.W.,Bruning, J.B.,Gil, G.,Nowak, J.,Sharma, S.K.,Hahm, J.B.,Kulp, K.,Hochberg, R.B.,Zhou, H.,Katzenellenbogen, J.A.,Katzenellenbogen, B.S.,Kim, Y.,Joachmiak, A.,Greene, G.L. NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol. 2008 4 241 247 3CEB Crystal structure of a putative 4-amino-4-deoxychorismate lyase (hs_0128) from haemophilus somnus 129pt at 2.40 A resolution 2008-02-28 2008-03-18 Joint Center for Structural Genomics (JCSG) Crystal structure of D-aminoacid Aminotransferase-Like PLP-Dependent Enzyme (YP_718332.1) from Haemophilus somnus 129PT at 2.40 A resolution To be published 0 0 0 0 3CFE 18309081 Crystal structure of purple-fluorescent antibody EP2-25C10 2008-03-03 2008-03-18 Debler, E.W.,Kaufmann, G.F.,Meijler, M.M.,Heine, A.,Mee, J.M.,Pljevaljcic, G.,Di Bilio, A.J.,Schultz, P.G.,Millar, D.P.,Janda, K.D.,Wilson, I.A.,Gray, H.B.,Lerner, R.A. Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex. Science 2008 319 1232 1235 3CH0 Crystal structure of glycerophosphoryl diester phosphodiesterase (YP_677622.1) from Cytophaga hutchinsonii ATCC 33406 at 1.50 A resolution 2008-03-06 2008-03-18 Joint Center for Structural Genomics (JCSG) Crystal structure of glycerophosphoryl diester phosphodiesterase (YP_677622.1) from Cytophaga hutchinsonii ATCC 33406 at 1.50 A resolution To be published 0 0 0 0 3CK1 CRYSTAL STRUCTURE OF a putative thioesterase (REUT_A2179) FROM RALSTONIA EUTROPHA JMP134 AT 1.74 A RESOLUTION 2008-03-14 2008-03-25 Joint Center for Structural Genomics (JCSG) Crystal structure of putative thioesterase (YP_296387.1) from Ralstonia eutropha JMP134 at 1.74 A resolution To be published 0 0 0 0 2Q86 18295796 Structure of the mouse invariant NKT cell receptor Valpha14 2007-06-08 2008-04-01 Zajonc, D.M.,Savage, P.B.,Bendelac, A.,Wilson, I.A.,Teyton, L. Crystal Structures of Mouse CD1d-iGb3 Complex and its Cognate Valpha14 T Cell Receptor Suggest a Model for Dual Recognition of Foreign and Self Glycolipids. J.Mol.Biol. 2008 377 1104 1116 3CHV CRYSTAL STRUCTURE OF a prokaryotic domain of unknown function (DUF849) member (SPOA0042) FROM SILICIBACTER POMEROYI DSS-3 AT 1.45 A RESOLUTION 2008-03-10 2008-04-01 Joint Center for Structural Genomics (JCSG) Crystal structure of prokaryotic domain of unknown function (DUF849) with a TIM barrel fold (YP_164873.1) from Silicibacter pomeroyi DSS-3 at 1.45 A resolution To be published 0 0 0 0 3CIR 18385138 E. coli Quinol fumarate reductase FrdA T234A mutation 2008-03-11 2008-04-01 Tomasiak, T.M.,Maklashina, E.,Cecchini, G.,Iverson, T.M. A threonine on the active site loop controls transition state formation in Escherichia coli respiratory complex II. J.Biol.Chem. 2008 283 15460 15468 3CLM Crystal structure of transaldolase (YP_208650.1) from Neisseria gonorrhoeae FA 1090 at 1.14 A resolution 2008-03-19 2008-04-01 Joint Center for Structural Genomics (JCSG) Crystal structure of transaldolase (YP_208650.1) from Neisseria gonorrhoeae FA 1090 at 1.14 A resolution To be published 0 0 0 0 3CM1 19567872 Crystal structure of SsgA-like sporulation-specific cell division protein (YP_290167.1) from Thermobifida fusca YX-ER1 at 2.60 A resolution 2008-03-20 2008-04-01 Xu, Q.,Traag, B.A.,Willemse, J.,McMullan, D.,Miller, M.D.,Elsliger, M.A.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Bakolitsa, C.,Carlton, D.,Chen, C.,Chiu, H.J.,Chruszcz, M.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Ellrott, K.,Ernst, D.,Farr, C.L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Grzechnik, S.K.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Marciano, D.,Minor, W.,Mommaas, A.M.,Morse, A.T.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Oommachen, S.,Paulsen, J.,Puckett, C.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Wang, S.,Weekes, D.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A.,van Wezel, G.P. Structural and functional characterizations of SsgB, a conserved activator of developmental cell division in morphologically complex actinomycetes. J.Biol.Chem. 2009 284 25268 25279 3CMB Crystal structure of acetoacetate decarboxylase (YP_001047042.1) from Methanoculleus marisnigri JR1 at 1.60 A resolution 2008-03-21 2008-04-01 Joint Center for Structural Genomics (JCSG) Crystal structure of acetoacetate decarboxylase (YP_001047042.1) from Methanoculleus marisnigri JR1 at 1.60 A resolution To be published 0 0 0 0 3BZL 18451864 Crystal structural of native EscU C-terminal domain 2008-01-18 2008-04-22 Zarivach, R.,Deng, W.,Vuckovic, M.,Felise, H.B.,Nguyen, H.V.,Miller, S.I.,Finlay, B.B.,Strynadka, N.C. Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS. Nature 2008 453 124 127 3BZO 18451864 Crystal structural of native EscU C-terminal domain 2008-01-18 2008-04-22 Zarivach, R.,Deng, W.,Vuckovic, M.,Felise, H.B.,Nguyen, H.V.,Miller, S.I.,Finlay, B.B.,Strynadka, N.C. Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS. Nature 2008 453 124 127 3CF0 18462676 Structure of D2 subdomain of P97/VCP in complex with ADP 2008-03-01 2008-04-22 Davies, J.M.,Brunger, A.T.,Weis, W.I. Improved Structures of Full-Length p97, an AAA ATPase: Implications for Mechanisms of Nucleotide-Dependent Conformational Change. Structure 2008 16 715 726 3CF2 18462676 Structure of P97/vcp in complex with ADP/AMP-PNP 2008-03-01 2008-04-22 Davies, J.M.,Brunger, A.T.,Weis, W.I. Improved structures of full-length p97, an AAA ATPase: implications for mechanisms of nucleotide-dependent conformational change. Structure 2008 16 715 726 3CPX Crystal structure of putative M42 glutamyl aminopeptidase (YP_676701.1) from Cytophaga hutchinsonii ATCC 33406 at 2.39 A resolution 2008-04-01 2008-04-29 Joint Center for Structural Genomics (JCSG) Crystal structure of putative M42 glutamyl aminopeptidase (YP_676701.1) from Cytophaga hutchinsonii ATCC 33406 at 2.39 A resolution To be published 0 0 0 0 3CT8 Crystal structure of a putative glyoxalase (NP_243026.1) from Bacillus halodurans at 2.10 A resolution 2008-04-11 2008-04-29 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative Glyoxalase (NP_243026.1) from Bacillus halodurans at 2.10 A resolution To be published 0 0 0 0 3CU2 Crystal structure of ribulose-5-phosphate 3-epimerase (YP_718263.1) from Haemophilus somnus 129PT at 1.91 A resolution 2008-04-15 2008-04-29 Joint Center for Structural Genomics (JCSG) Crystal structure of ribulose-5-phosphate 3-epimerase (YP_718263.1) from Haemophilus somnus 129PT at 1.91 A resolution To be published 0 0 0 0 3CUC CRYSTAL STRUCTURE OF A FIC DOMAIN CONTAINING SIGNALING PROTEIN (BT_2513) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.71 A RESOLUTION 2008-04-16 2008-04-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Protein of Unknown Function with a Fic Domain (NP_811426.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.71 A resolution To be published 0 0 0 0 3CT9 Crystal structure of a putative zinc peptidase (NP_812461.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.31 A resolution 2008-04-11 2008-05-06 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative Zinc Peptidase (NP_812461.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.31 A resolution To be published 0 0 0 0 3CVJ Crystal structure of a putative phosphoheptose isomerase (bh3325) from bacillus halodurans c-125 at 2.00 A resolution 2008-04-18 2008-05-06 Joint Center for Structural Genomics (JCSG) Crystal structure of putative phosphoheptose isomerase (NP_244191.1) from Bacillus halodurans at 2.00 A resolution To be published 0 0 0 0 3CWR Crystal structure of transcriptional regulator of TetR family (YP_425770.1) from Rhodospirillum rubrum ATCC 11170 at 1.50 A resolution 2008-04-22 2008-05-06 Joint Center for Structural Genomics (JCSG) Crystal structure of transcriptional regulator of TetR family (YP_425770.1) from Rhodospirillum rubrum ATCC 11170 at 1.50 A resolution To be published 0 0 0 0 3CZO 18556022 Crystal Structure of Double Mutant Phenylalanine Ammonia-Lyase From Anabaena Variabilis 2008-04-29 2008-05-20 Wang, L.,Gamez, A.,Archer, H.,Abola, E.E.,Sarkissian, C.N.,Fitzpatrick, P.,Wendt, D.,Zhang, Y.,Vellard, M.,Bliesath, J.,Bell, S.M.,Lemontt, J.F.,Scriver, C.R.,Stevens, R.C. Structural and biochemical characterization of the therapeutic Anabaena variabilis phenylalanine ammonia lyase. J.Mol.Biol. 2008 380 623 635 3D00 20944230 Crystal structure of a tungsten formylmethanofuran dehydrogenase subunit e (fmde)-like protein (syn_00638) from syntrophus aciditrophicus at 1.90 A resolution 2008-04-30 2008-05-20 Axelrod, H.L.,Das, D.,Abdubek, P.,Astakhova, T.,Bakolitsa, C.,Carlton, D.,Chen, C.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Ellrott, K.,Farr, C.L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Lam, W.W.,Marciano, D.,McMullan, D.,Miller, M.D.,Morse, A.T.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Puckett, C.,Reyes, R.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Wooten, T.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structures of three members of Pfam PF02663 (FmdE) implicated in microbial methanogenesis reveal a conserved alpha+beta core domain and an auxiliary C-terminal treble-clef zinc finger. Acta Crystallogr.,Sect.F 2010 66 1335 1346 3D1C 25092800 Crystal structure of Flavin-containing Putative Monooxygenase (NP_373108.1) from STAPHYLOCOCCUS AUREUS MU50 at 2.40 A resolution 2008-05-05 2008-05-20 Hwang, W.C.,Xu, Q.,Wu, B.,Godzik, A. Crystal structure of a Baeyer-Villiger flavin-containing monooxygenase from Staphylococcus aureus MRSA strain MU50. Proteins 2014 0 0 0 3D2L Crystal structure of SAM-dependent methyltransferase (ZP_00538691.1) from EXIGUOBACTERIUM SP. 255-15 at 1.90 A resolution 2008-05-08 2008-05-20 Joint Center for Structural Genomics (JCSG) Crystal structure of SAM-dependent methyltransferase (ZP_00538691.1) from EXIGUOBACTERIUM SP. 255-15 at 1.90 A resolution To be published 0 0 0 0 3D33 Crystal structure of a duf3244 family protein with an immunoglobulin-like beta-sandwich fold (bvu_0276) from bacteroides vulgatus atcc 8482 at 1.70 A resolution 2008-05-09 2008-05-27 Joint Center for Structural Genomics (JCSG) Crystal structure of Domain of Unknown Function with an Immunoglobulin-like Beta-sandwich Fold (YP_001297618.1) from Bacteroides vulgatus ATCC 8482 at 1.70 A resolution To be published 0 0 0 0 3C3O 18511562 ALIX Bro1-domain:CHMIP4A co-crystal structure 2008-01-28 2008-06-10 McCullough, J.,Fisher, R.D.,Whitby, F.G.,Sundquist, W.I.,Hill, C.P. ALIX-CHMP4 interactions in the human ESCRT pathway. Proc.Natl.Acad.Sci.Usa 2008 105 7687 7691 3CRV 18510924 XPD_Helicase 2008-04-07 2008-06-10 Fan, L.,Fuss, J.O.,Cheng, Q.J.,Arvai, A.S.,Hammel, M.,Roberts, V.A.,Cooper, P.K.,Tainer, J.A. XPD helicase structures and activities: insights into the cancer and aging phenotypes from XPD mutations. Cell(Cambridge,Mass.) 2008 133 789 800 2Q9F 18621681 Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate 2007-06-12 2008-06-17 Mast, N.,White, M.A.,Bjorkhem, I.,Johnson, E.F.,Stout, C.D.,Pikuleva, I.A. Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain. Proc.Natl.Acad.Sci.Usa 2008 105 9546 9551 2Q9G 18621681 Crystal structure of human cytochrome P450 46A1 2007-06-12 2008-06-17 Mast, N.,White, M.A.,Bjorkhem, I.,Johnson, E.F.,Stout, C.D.,Pikuleva, I.A. Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain. Proc.Natl.Acad.Sci.Usa 2008 105 9546 9551 3D7Q 25179344 Crystal structure of a xisi-like protein (npun_ar114) from nostoc punctiforme pcc 73102 at 2.30 A resolution 2008-05-21 2008-06-17 Hwang, W.C.,Golden, J.W.,Pascual, J.,Xu, D.,Cheltsov, A.,Godzik, A. Site-specific recombination of nitrogen-fixation genes in cyanobacteria by XisF-XisH-XisI complex: Structures and models. Proteins 2014 0 0 0 3DB2 Crystal structure of a putative nadph-dependent oxidoreductase (dhaf_2064) from desulfitobacterium hafniense dcb-2 at 1.70 A resolution 2008-05-30 2008-06-24 Joint Center for Structural Genomics (JCSG) Crystal structure of putative NADPH-dependent oxidoreductase (ZP_01370612.1) from DESULFITOBACTERIUM HAFNIENSE DCB-2 at 1.70 A resolution To be published 0 0 0 0 3DCZ CRYSTAL STRUCTURE OF A PUTATIVE RNFG SUBUNIT OF ELECTRON TRANSPORT COMPLEX (TM0246) FROM THERMOTOGA MARITIMA AT 1.65 A RESOLUTION 2008-06-04 2008-06-24 Joint Center for Structural Genomics (JCSG) Crystal structure of putative RnfG subunit of electron transport complex (TM0246) from THERMOTOGA MARITIMA at 1.65 A resolution To be published 0 0 0 0 3DDD Crystal structure of A Putative Acetyltransferase (NP_142035.1) from PYROCOCCUS HORIKOSHII at 2.25 A resolution 2008-06-05 2008-06-24 Joint Center for Structural Genomics (JCSG) Crystal structure of A Putative Acetyltransferase (NP_142035.1) from PYROCOCCUS HORIKOSHII at 2.25 A resolution To be published 0 0 0 0 3DDJ Crystal structure of a cbs domain-containing protein in complex with amp (sso3205) from sulfolobus solfataricus at 1.80 A resolution 2008-06-05 2008-06-24 Joint Center for Structural Genomics (JCSG) Crystal structure of CBS domain-containing protein in complex with AMP (NP_344512.1) from SULFOLOBUS SOLFATARICUS at 1.80 A resolution To be published 0 0 0 0 3D9R Crystal structure of ketosteroid isomerase-like protein (YP_049581.1) from ERWINIA CAROTOVORA ATROSEPTICA SCRI1043 at 2.40 A resolution 2008-05-27 2008-07-01 Joint Center for Structural Genomics (JCSG) Crystal structure of ketosteroid isomerase-like protein (YP_049581.1) from ERWINIA CAROTOVORA ATROSEPTICA SCRI1043 at 2.40 A resolution To be published 0 0 0 0 3DFU CRYSTAL STRUCTURE OF A PUTATIVE ROSSMANN-LIKE DEHYDROGENASE (CGL2689) FROM CORYNEBACTERIUM GLUTAMICUM AT 2.07 A RESOLUTION 2008-06-12 2008-07-01 Joint Center for Structural Genomics (JCSG) Crystal structure of Protein of Unknown Function from the 6-Phosphogluconate Dehydrogenase-Like Family (NP_601885.1) from CORYNEBACTERIUM GLUTAMICUM ATCC 13032 KITASATO at 2.07 A resolution To be published 0 0 0 0 3DI4 Crystal structure of a duf1989 family protein (spo0365) from silicibacter pomeroyi dss-3 at 1.60 A resolution 2008-06-19 2008-07-01 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function (DUF1989) (YP_165628.1) from SILICIBACTER POMEROYI DSS-3 at 1.60 A resolution To be published 0 0 0 0 3C2A 18566514 Antibody Fab fragment 447-52D in complex with UG1033 peptide 2008-01-24 2008-07-08 Dhillon, A.K.,Stanfield, R.L.,Gorny, M.K.,Williams, C.,Zolla-Pazner, S.,Wilson, I.A. Structure determination of an anti-HIV-1 Fab 447-52D-peptide complex from an epitaxially twinned data set Acta Crystallogr.,Sect.D 2008 64 792 802 3D5P CRYSTAL STRUCTURE OF A PUTATIVE GLUCAN SYNTHESIS REGULATOR OF SMI1/KNR4 FAMILY (BF1740) FROM BACTEROIDES FRAGILIS NCTC 9343 AT 1.45 A RESOLUTION 2008-05-16 2008-07-15 Joint Center for Structural Genomics (JCSG) Crystal structure of putative glucan synthesis regulator of Smi1/Knr4 family (YP_211376.1) from Bacteroides fragilis NCTC 9343 at 1.45 A resolution To be published 0 0 0 0 3DCF Crystal structure of transcriptional regulator of the TetR/AcrR family (YP_290855.1) from THERMOBIFIDA FUSCA YX-ER1 at 2.50 A resolution 2008-06-03 2008-07-15 Joint Center for Structural Genomics (JCSG) Crystal structure of transcriptional regulator of the TetR/AcrR family (YP_290855.1) from THERMOBIFIDA FUSCA YX-ER1 at 2.50 A resolution To be published 0 0 0 0 3DB0 Crystal structure of Putative Pyridoxamine 5'-phosphate oxidase (NP_472219.1) from LISTERIA INNOCUA at 2.00 A resolution 2008-05-30 2008-07-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative Pyridoxamine 5'-phosphate oxidase (NP_472219.1) from LISTERIA INNOCUA at 2.00 A resolution To be published 0 0 0 0 3DCX 19913036 Crystal structure of a duf1696 family protein with a pleckstrin-homology domain (shew_0819) from shewanella loihica pv-4 at 2.00 A resolution 2008-06-04 2008-07-29 Xu, Q.,Bateman, A.,Finn, R.D.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Bakolitsa, C.,Carlton, D.,Chen, C.,Chiu, H.J.,Chiu, M.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Ellrott, K.,Ernst, D.,Farr, C.L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Marciano, D.,McMullan, D.,Miller, M.D.,Morse, A.T.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Puckett, C.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Wooten, T.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Bacterial pleckstrin homology domains: a prokaryotic origin for the PH domain. J.Mol.Biol. 2010 396 31 46 3DFE Crystal structure of a Putative Pii-Like Signaling Protein (YP_323533.1) from ANABAENA VARIABILIS ATCC 29413 at 2.35 A resolution 2008-06-11 2008-08-05 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative Pii-Like Signaling Protein (YP_323533.1) from ANABAENA VARIABILIS ATCC 29413 at 2.35 A resolution To be published 0 0 0 0 3DHW 18621668 Crystal structure of methionine importer MetNI 2008-06-18 2008-08-05 Kadaba, N.S.,Kaiser, J.T.,Johnson, E.,Lee, A.,Rees, D.C. The high-affinity E. coli methionine ABC transporter: structure and allosteric regulation. Science 2008 321 250 253 3DUE 20944221 CRYSTAL STRUCTURE OF A PUTATIVE PERIPLASMIC PROTEIN FROM DUF2874 FAMILY (BVU_2987) FROM BACTEROIDES VULGATUS ATCC 8482 AT 1.85 A RESOLUTION 2008-07-17 2008-08-05 Das, D.,Finn, R.D.,Carlton, D.,Miller, M.D.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Bakolitsa, C.,Chen, C.,Chiu, H.J.,Chiu, M.,Clayton, T.,Deller, M.C.,Duan, L.,Ellrott, K.,Ernst, D.,Farr, C.L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Marciano, D.,McMullan, D.,Morse, A.T.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Puckett, C.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Wooten, T.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. The structure of BVU2987 from Bacteroides vulgatus reveals a superfamily of bacterial periplasmic proteins with possible inhibitory function. Acta Crystallogr.,Sect.F 2010 66 1265 1273 3DV8 Crystal structure of a putative transcriptional regulator of the crp/fnr family (eubrec_1222) from eubacterium rectale atcc 33656 at 2.55 A resolution 2008-07-18 2008-08-05 Joint Center for Structural Genomics (JCSG) Crystal structure of transcriptional regulator, Crp/Fnr family (RER070207001219) from Eubacterium rectale at 2.55 A resolution To be published 0 0 0 0 3DXQ Crystal structure of choline/ethanolamine kinase family protein (NP_106042.1) from MESORHIZOBIUM LOTI at 2.55 A resolution 2008-07-24 2008-08-05 Joint Center for Structural Genomics (JCSG) Crystal structure of choline/ethanolamine kinase family protein (NP_106042.1) from MESORHIZOBIUM LOTI at 2.55 A resolution To be published 0 0 0 0 2QPN 17704567 GES-1 beta-lactamase 2007-07-24 2008-08-12 Smith, C.A.,Caccamo, M.,Kantardjieff, K.A.,Vakulenko, S. Structure of GES-1 at atomic resolution: insights into the evolution of carbapenamase activity in the class A extended-spectrum beta-lactamases. Acta Crystallogr.,Sect.D 2007 63 982 992 3BBM 18596253 Minimally Junctioned Hairpin Ribozyme Incorporates A38C and 2'O-Me Modification at Active Site 2007-11-09 2008-08-12 MacElrevey, C.,Salter, J.D.,Krucinska, J.,Wedekind, J.E. Structural effects of nucleobase variations at key active site residue Ade38 in the hairpin ribozyme. Rna 2008 14 1600 1616 3DZA Crystal structure of a putative membrane protein of unknown function (yfdx) from klebsiella pneumoniae subsp. at 1.65 A resolution 2008-07-29 2008-08-12 Joint Center for Structural Genomics (JCSG) Crystal structure of putative membrane protein of unknown function (YP_001337144.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.65 A resolution To be published 0 0 0 0 3DZZ CRYSTAL STRUCTURE OF A PUTATIVE PLP-DEPENDENT AMINOTRANSFERASE (LBUL_1103) FROM LACTOBACILLUS DELBRUECKII SUBSP. AT 1.61 A RESOLUTION 2008-07-30 2008-08-12 Joint Center for Structural Genomics (JCSG) Crystal structure of putative pyridoxal 5'-phosphate-dependent C-S lyase (YP_813084.1) from LACTOBACILLUS DELBRUECKII BULGARICUS ATCC BAA-365 at 1.61 A resolution To be published 0 0 0 0 3E0Z Crystal structure of a putative imidazole glycerol phosphate synthase homolog (eubrec_1070) from eubacterium rectale at 1.75 A resolution 2008-08-01 2008-08-12 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function (RER070207001348) from Eubacterium rectale at 1.75 A resolution To be published 0 0 0 0 3E0Z Crystal structure of a putative imidazole glycerol phosphate synthase homolog (eubrec_1070) from eubacterium rectale at 1.75 A resolution 2008-08-01 2008-08-12 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function (RER070207001348) from Eubacterium rectale at 1.75 A resolution To be published 0 0 0 0 3E10 Crystal structure of Putative NADH Oxidase (NP_348178.1) from CLOSTRIDIUM ACETOBUTYLICUM at 1.40 A resolution 2008-08-01 2008-08-12 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative NADH Oxidase (NP_348178.1) from CLOSTRIDIUM ACETOBUTYLICUM at 1.40 A resolution To be published 0 0 0 0 3DI5 Crystal structure of a dinb-like protein (bce_4655) from bacillus cereus atcc 10987 at 2.01 A resolution 2008-06-19 2008-08-19 Joint Center for Structural Genomics (JCSG) Crystal structure of a DinB-like Protein (NP_980948.1) from BACILLUS CEREUS ATCC 10987 at 2.01 A resolution To be published 0 0 0 0 3DKA Crystal structure of a dinb-like protein (yjoa, bsu12410) from bacillus subtilis at 2.30 A resolution 2008-06-24 2008-08-19 Joint Center for Structural Genomics (JCSG) Crystal structure of a DinB-like Protein (NP_389123.1) from BACILLUS SUBTILIS at 2.30 A resolution To be published 0 0 0 0 3DUH 18680750 Structure of Interleukin-23 2008-07-17 2008-08-19 Lupardus, P.J.,Garcia, K.C. The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12. J.Mol.Biol. 2008 382 931 941 3E11 Crystal structure of a predicted zincin-like metalloprotease (acel_2062) from acidothermus cellulolyticus 11b at 1.80 A resolution 2008-08-01 2008-08-19 Joint Center for Structural Genomics (JCSG) Crystal structure of predicted zincin-like metalloprotease (YP_873820.1) from ACIDOTHERMUS CELLULOLYTICUS 11B at 1.80 A resolution To be published 0 0 0 0 2QZO 20924370 Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916 2007-08-16 2008-08-26 Bruning, J.B.,Parent, A.A.,Gil, G.,Zhao, M.,Nowak, J.,Pace, M.C.,Smith, C.L.,Afonine, P.V.,Adams, P.D.,Katzenellenbogen, J.A.,Nettles, K.W. Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol. 2010 6 837 843 2VU9 18704164 CRYSTAL STRUCTURE OF BOTULINUM NEUROTOXIN SEROTYPE A BINDING DOMAIN IN COMPLEX WITH GT1B 2008-05-22 2008-08-26 Stenmark, P.,Dupuy, J.,Imamura, A.,Kiso, M.,Stevens, R.C. Crystal Structure of Botulinum Neurotoxin Type a in Complex with the Cell Surface Co-Receptor Gt1B- Insight Into the Toxin-Neuron Interaction. Plos Pathog. 2008 4 0 0 2VUA 18704164 Crystal Structure of the Botulinum Neurotoxin Serotype A binding domain 2008-05-22 2008-08-26 Stenmark, P.,Dupuy, J.,Imamura, A.,Kiso, M.,Stevens, R.C. Crystal Structure of Botulinum Neurotoxin Type a in Complex with the Cell Surface Co-Receptor Gt1B- Insight Into the Toxin-Neuron Interaction. Plos Pathog. 2008 4 0 0 3D5V 18703838 Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain. 2008-05-17 2008-08-26 Elling, R.A.,Fucini, R.V.,Romanowski, M.J. Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands. Acta Crystallogr.,Sect.D 2008 64 909 918 3D5W 18703838 Crystal structure of a phosphorylated Polo-like kinase 1 (Plk1) catalytic domain in complex with ADP. 2008-05-17 2008-08-26 Elling, R.A.,Fucini, R.V.,Romanowski, M.J. Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands. Acta Crystallogr.,Sect.D 2008 64 909 918 3DL1 22467785 Crystal structure of a Putative Metal-dependent Hydrolase (YP_001336084.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.20 A resolution 2008-06-26 2008-08-26 Xu, Q.,Gohler, A.K.,Kosfeld, A.,Carlton, D.,Chiu, H.J.,Klock, H.E.,Knuth, M.W.,Miller, M.D.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Jahreis, K.,Wilson, I.A. The Structure of Mlc Titration Factor A (MtfA/YeeI) Reveals a Prototypical Zinc Metallopeptidase Related to Anthrax Lethal Factor. J.Bacteriol. 2012 194 2987 2999 3DLC Crystal structure of a putative s-adenosyl-l-methionine-dependent methyltransferase (mmp1179) from methanococcus maripaludis at 1.15 A resolution 2008-06-27 2008-08-26 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative S-adenosyl-L-methionine-dependent Methyltransferase (NP_988299.1) from Methanococcus maripaludis JJ (DSM 2067) at 1.15 A resolution To be published 0 0 0 0 3DMB Crystal structure of a putative general stress family protein (xcc2264) from xanthomonas campestris pv. campestris at 2.30 A resolution 2008-06-30 2008-08-26 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative General Stress Protein 26 with a PNP-Oxidase like Fold (NP_637619.1) from XANTHOMONAS CAMPESTRIS at 2.30 A resolution To be published 0 0 0 0 3DMC CRYSTAL STRUCTURE OF A NTF2-LIKE PROTEIN (AVA_2261) FROM ANABAENA VARIABILIS ATCC 29413 AT 1.65 A RESOLUTION 2008-06-30 2008-08-26 Joint Center for Structural Genomics (JCSG) Crystal structure of a NTF2-like Protein (YP_322774.1) from ANABAENA VARIABILIS ATCC 29413 at 1.65 A resolution To be published 0 0 0 0 3DT4 18772387 The structure of rat cytosolic PEPCK in complex with oxalate and GTP 2008-07-14 2008-08-26 Sullivan, S.M.,Holyoak, T. Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection. Proc.Natl.Acad.Sci.Usa 2008 105 13829 13834 3DTB 18772387 The structure of rat cytosolic PEPCK in complex with phosphoglycolate and GDP 2008-07-14 2008-08-26 Sullivan, S.M.,Holyoak, T. Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection. Proc.Natl.Acad.Sci.Usa 2008 105 13829 13834 3E5D Crystal structure of a putative glyoxalase i (lmof2365_0426) from listeria monocytogenes str. 4b f2365 at 2.70 A resolution 2008-08-13 2008-08-26 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative Glyoxalase I (YP_013033.1) from LISTERIA MONOCYTOGENES 4b F2365 at 2.70 A resolution To be published 0 0 0 0 3DO5 Crystal structure of Putative Homoserine Dehydrogenase (NP_069768.1) from ARCHAEOGLOBUS FULGIDUS at 2.20 A resolution 2008-07-03 2008-09-02 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative Homoserine Dehydrogenase (NP_069768.1) from ARCHAEOGLOBUS FULGIDUS at 2.20 A resolution To be published 0 0 0 0 3E0F 21538547 Crystal structure of a putative metal-dependent phosphoesterase (bad_1165) from bifidobacterium adolescentis atcc 15703 at 2.40 A resolution 2008-07-31 2008-09-02 Han, G.W.,Ko, J.,Farr, C.L.,Deller, M.C.,Xu, Q.,Chiu, H.J.,Miller, M.D.,Sefcikova, J.,Somarowthu, S.,Beuning, P.J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A.,Ondrechen, M.J. Crystal structure of a metal-dependent phosphoesterase (YP_910028.1) from Bifidobacterium adolescentis: Computational prediction and experimental validation of phosphoesterase activity. Proteins 2011 79 2146 2160 3E8S Crystal structure of Putative SAM Dependent Methyltransferase in Complex with SAH (NP_744700.1) from PSEUDOMONAS PUTIDA KT2440 at 2.10 A resolution 2008-08-20 2008-09-02 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative SAM Dependent Methyltransferase in Complex with SAH (NP_744700.1) from PSEUDOMONAS PUTIDA KT2440 at 2.10 A resolution To be published 0 0 0 0 3E97 Crystal structure of transcriptional regulator of Crp/Fnr family (YP_604437.1) from DEINOCOCCUS GEOTHERMALIS DSM 11300 at 1.86 A resolution 2008-08-21 2008-09-02 Joint Center for Structural Genomics (JCSG) Crystal structure of transcriptional regulator of Crp/Fnr family (YP_604437.1) from DEINOCOCCUS GEOTHERMALIS DSM 11300 at 1.86 A resolution To be published 0 0 0 0 3E8O CRYSTAL STRUCTURE OF A PUTATIVE ANTIBIOTIC BIOSYNTHESIS MONOOXYGENASE (DR_2100) FROM DEINOCOCCUS RADIODURANS AT 1.40 A RESOLUTION 2008-08-20 2008-09-09 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function with ferredoxin-like fold (NP_295823.1) from DEINOCOCCUS RADIODURANS at 1.40 A resolution To be published 0 0 0 0 3EBR Crystal structure of an rmlc-like cupin protein (reut_a0381) from ralstonia eutropha jmp134 at 2.60 A resolution 2008-08-28 2008-09-09 Joint Center for Structural Genomics (JCSG) Crystal structure of RmlC-like cupin with unknown function (YP_294607.1) from RALSTONIA EUTROPHA JMP134 at 2.60 A resolution To be published 0 0 0 0 3EC4 Crystal structure of Putative Acetyltransferase from the GNAT family (YP_497011.1) from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.80 A resolution 2008-08-28 2008-09-09 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative Acetyltransferase from the GNAT family (YP_497011.1) from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.80 A resolution To be published 0 0 0 0 3E99 Crystal structure of the beta subunit of the benzoate 1,2-dioxygenase (benb, bmaa0186) from burkholderia mallei atcc 23344 at 1.90 A resolution 2008-08-21 2008-09-16 Joint Center for Structural Genomics (JCSG) Crystal structure of the beta subunit of benzoate 1,2-dioxygenase (YP_105014.1) from BURKHOLDERIA MALLEI ATCC 23344 at 1.90 A resolution To be published 0 0 0 0 3E0G 18775332 Structure of the Leukemia Inhibitory Factor Receptor (LIF-R) domains D1-D5 2008-07-31 2008-09-23 Skiniotis, G.,Lupardus, P.J.,Martick, M.,Walz, T.,Garcia, K.C. Structural organization of a full-length gp130/LIF-R cytokine receptor transmembrane complex. Mol.Cell 2008 31 737 748 3DVN 18724939 Crystal structure of K63-specific fab Apu2.16 bound to K63-linked di-ubiquitin 2008-07-18 2008-09-30 Newton, K.,Matsumoto, M.L.,Wertz, I.E.,Kirkpatrick, D.S.,Lill, J.R.,Tan, J.,Dugger, D.,Gordon, N.,Sidhu, S.S.,Fellouse, F.A.,Komuves, L.,French, D.M.,Ferrando, R.E.,Lam, C.,Compaan, D.,Yu, C.,Bosanac, I.,Hymowitz, S.G.,Kelley, R.F.,Dixit, V.M. Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies. Cell(Cambridge,Mass.) 2008 134 668 678 3EBT Crystal structure of a ntf2-like protein of unknown function (bpss0132) from burkholderia pseudomallei k96243 at 1.30 A resolution 2008-08-28 2008-09-30 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-like protein of unknown function (YP_110153.1) from BURKHOLDERIA PSEUDOMALLEI K96243 at 1.30 A resolution To be published 0 0 0 0 3ECF Crystal structure of an ntf2-like protein (ava_4193) from anabaena variabilis atcc 29413 at 1.90 A resolution 2008-08-29 2008-09-30 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-like Protein (YP_324687.1) from ANABAENA VARIABILIS ATCC 29413 at 1.90 A resolution To be published 0 0 0 0 3EDO Crystal structure of Flavoprotein in Complex with FMN (YP_193882.1) from Lactobacillus acidophilus NCFM at 1.20 A resolution 2008-09-03 2008-09-30 Joint Center for Structural Genomics (JCSG) Crystal structure of Flavoprotein in Complex with FMN (YP_193882.1) from Lactobacillus acidophilus NCFM at 1.20 A resolution To be published 0 0 0 0 3EJN CRYSTAL STRUCTURE OF A SUSD HOMOLOG (BF3025) FROM BACTEROIDES FRAGILIS NCTC 9343 AT 1.50 A RESOLUTION 2008-09-18 2008-09-30 Joint Center for Structural Genomics (JCSG) Crystal structure of SusD homolog (YP_212639.1) from Bacteroides fragilis NCTC 9343 at 1.50 A resolution To be published 0 0 0 0 3B7E 18715929 Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain in complex with zanamivir 2007-10-30 2008-10-07 Xu, X.,Zhu, X.,Dwek, R.A.,Stevens, J.,Wilson, I.A. Structural characterization of the 1918 influenza virus H1N1 neuraminidase J.Virol. 2008 82 10493 10501 3E38 CRYSTAL STRUCTURE OF A TWO-DOMAIN PROTEIN CONTAINING PREDICTED PHP-LIKE METAL-DEPENDENT PHOSPHOESTERASE (BVU_3505) FROM BACTEROIDES VULGATUS ATCC 8482 AT 2.20 A RESOLUTION 2008-08-06 2008-10-07 Joint Center for Structural Genomics (JCSG) Crystal structure of two-domain protein containing predicted PHP-like metal-dependent phosphoesterase (YP_001300751.1) from Bacteroides vulgatus ATCC 8482 at 2.20 A resolution To be published 0 0 0 0 3E6J 18818359 Crystal Structure of Variable Lymphocyte Receptor (VLR) RBC36 in Complex with H-trisaccharide 2008-08-15 2008-10-07 Han, B.W.,Herrin, B.R.,Cooper, M.D.,Wilson, I.A. Antigen recognition by variable lymphocyte receptors. Science 2008 321 1834 1837 3EO6 Crystal structure of protein of unknown function (DUF1255) (AFE_2634) from ACIDITHIOBACILLUS FERROOXIDANS NCIB8455 at 0.97 A resolution 2008-09-26 2008-10-07 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function (DUF1255) (AFE_2634) from ACIDITHIOBACILLUS FERROOXIDANS NCIB8455 at 0.97 A resolution To be published 0 0 0 0 3EAT 18824174 Crystal structure of the PvcB (PA2255) protein from Pseudomonas aeruginosa 2008-08-26 2008-10-14 Drake, E.J.,Gulick, A.M. Three-dimensional structures of Pseudomonas aeruginosa PvcA and PvcB, two proteins involved in the synthesis of 2-isocyano-6,7-dihydroxycoumarin. J.Mol.Biol. 2008 384 193 205 3ELG Crystal structure of a putative periplasmic protein of unknown function (bvu_2443) from bacteroides vulgatus atcc 8482 at 1.64 A resolution 2008-09-22 2008-10-14 Joint Center for Structural Genomics (JCSG) Crystal structure of putative periplasmic protein of unknown function (YP_001299723.1) from Bacteroides vulgatus ATCC 8482 at 1.64 A resolution TO BE PUBLISHED 0 0 0 0 3EOF Crystal structure of putative oxidoreductase (YP_213212.1) from Bacteroides fragilis NCTC 9343 at 1.99 A resolution 2008-09-26 2008-10-14 Joint Center for Structural Genomics (JCSG) Crystal structure of putative oxidoreductase (YP_213212.1) from Bacteroides fragilis NCTC 9343 at 1.99 A resolution To be published 0 0 0 0 3EQX 19127588 CRYSTAL STRUCTURE OF A FIC FAMILY PROTEIN (SO_4266) FROM SHEWANELLA ONEIDENSIS AT 1.6 A RESOLUTION 2008-10-01 2008-10-14 Das, D.,Krishna, S.S.,McMullan, D.,Miller, M.D.,Xu, Q.,Abdubek, P.,Acosta, C.,Astakhova, T.,Axelrod, H.L.,Burra, P.,Carlton, D.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Elias, Y.,Elsliger, M.A.,Ernst, D.,Feuerhelm, J.,Grzechnik, A.,Grzechnik, S.K.,Hale, J.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Kumar, A.,Marciano, D.,Morse, A.T.,Murphy, K.D.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Paulsen, J.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.,Trame, C.B.,Trout, C.V.,van den Bedem, H.,Weekes, D.,White, A.,Hodgson, K.O.,Wooley, J.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Crystal structure of the Fic (Filamentation induced by cAMP) family protein SO4266 (gi|24375750) from Shewanella oneidensis MR-1 at 1.6 A resolution. Proteins 2009 75 264 271 3EEB 18845756 Structure of the V. cholerae RTX cysteine protease domain 2008-09-04 2008-10-21 Lupardus, P.J.,Shen, A.,Bogyo, M.,Garcia, K.C. Small molecule-induced allosteric activation of the Vibrio cholerae RTX cysteine protease domain Science 2008 322 265 268 3ETN 25286848 Crystal structure of putative phosphosugar isomerase involved in capsule formation (YP_209877.1) from Bacteroides fragilis NCTC 9343 at 1.70 A resolution 2008-10-08 2008-10-21 Chiu, H.J.,Grant, J.C.,Farr, C.L.,Jaroszewski, L.,Knuth, M.W.,Miller, M.D.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structural analysis of arabinose-5-phosphate isomerase from Bacteroides fragilis and functional implications. Acta Crystallogr.,Sect.D 2014 70 2640 2651 3EUA CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOSUGAR ISOMERASE (BSU32610) FROM BACILLUS SUBTILIS AT 1.90 A RESOLUTION 2008-10-09 2008-10-21 Joint Center for Structural Genomics (JCSG) Crystal structure of yurp protein (np_391141.1) from bacillus subtilis at 1.90 A resolution To be published 0 0 0 0 3D8P Crystal structure of acetyltransferase of GNAT family (NP_373092.1) from STAPHYLOCOCCUS AUREUS MU50 at 2.20 A resolution 2008-05-23 2008-10-28 Joint Center for Structural Genomics (JCSG) Crystal structure of acetyltransferase of GNAT family (NP_373092.1) from STAPHYLOCOCCUS AUREUS MU50 at 2.20 A resolution To be published 0 0 0 0 3DB7 Crystal structure of a putative calcium-regulated periplasmic protein (bt0923) from bacteroides thetaiotaomicron at 1.40 A resolution 2008-05-30 2008-10-28 Joint Center for Structural Genomics (JCSG) Crystal structure of putative calcium-regulated periplasmic protein of unknown function (NP_809836.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.40 A resolution To be Published 0 0 0 0 3E3Q 18941216 Structure of the 3alpham13 high-affinity mutant of the 2C TCR in complex with Ld/QL9 2008-08-07 2008-11-04 Jones, L.L.,Colf, L.A.,Stone, J.D.,Garcia, K.C.,Kranz, D.M. Distinct CDR3 conformations in TCRs determine the level of cross-reactivity for diverse antigens, but not the docking orientation. J.Immunol. 2008 181 6255 6264 3B9K 18929574 Crystal structure of CD8alpha-beta in complex with YTS 156.7 FAB 2007-11-05 2008-11-11 Shore, D.A.,Issafras, H.,Landais, E.,Teyton, L.,Wilson, I.A. The Crystal Structure of CD8 in Complex with YTS156.7.7 Fab and Interaction with Other CD8 Antibodies Define the Binding Mode of CD8 alphabeta to MHC Class I J.Mol.Biol. 2008 384 1190 1202 3F75 19596863 Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide 2008-11-07 2008-11-25 Larson, E.T.,Parussini, F.,Huynh, M.H.,Giebel, J.D.,Kelley, A.M.,Zhang, L.,Bogyo, M.,Merritt, E.A.,Carruthers, V.B. Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl. J.Biol.Chem. 2009 284 26839 26850 3FCN Crystal structure of an alpha-helical protein of unknown function (rru_a3208) from rhodospirillum rubrum atcc 11170 at 1.45 A resolution 2008-11-21 2008-12-09 Joint Center for Structural Genomics (JCSG) Crystal structure of an alpha-helical protein of unknown function (Pfam01724) (YP_428290.1) from RHODOSPIRILLUM RUBRUM ATCC 11170 at 1.45 A resolution To be published 0 0 0 0 2W1V 19053248 Crystal structure of mouse nitrilase-2 at 1.4A resolution 2008-10-21 2008-12-16 Barglow, K.T.,Saikatendu, K.S.,Bracey, M.H.,Huey, R.,Morris, G.M.,Olson, A.J.,Stevens, R.C.,Cravatt, B.F. Functional Proteomic and Structural Insights Into Molecular Recognition in the Nitrilase Family Enzymes. Biochemistry 2008 47 13514 0 3FDH Crystal structure of a susd/ragb family protein (bt_2033) from bacteroides thetaiotaomicron vpi-5482 at 1.75 A resolution 2008-11-25 2008-12-16 Joint Center for Structural Genomics (JCSG) Crystal structure of SusD homolog (NP_810946.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.75 A resolution To be Published 0 0 0 0 3FF2 Crystal structure of an uncharacterized cystatin fold protein (saro_2299) from novosphingobium aromaticivorans dsm at 1.90 A resolution 2008-12-01 2008-12-16 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized cystatin fold protein (YP_497570.1) from NTF2 superfamily (YP_497570.1) from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.90 A resolution To be published 0 0 0 0 3FFR CRYSTAL STRUCTURE OF A PHOSPHOSERINE AMINOTRANSFERASE SERC (CHU_0995) FROM CYTOPHAGA HUTCHINSONII ATCC 33406 AT 1.75 A RESOLUTION 2008-12-04 2008-12-23 Joint Center for Structural Genomics (JCSG) Crystal structure of phosphoserine aminotransferase SerC (EC 2.6.1.52) (YP_677612.1) from CYTOPHAGA HUTCHINSONII ATCC 33406 at 1.75 A resolution To be published 0 0 0 0 3CHJ 19046974 Crystal Structure of Alpha-14 Giardin 2008-03-10 2009-01-06 Pathuri, P.,Nguyen, E.T.,Ozorowski, G.,Svard, S.G.,Luecke, H. Apo and calcium-bound crystal structures of cytoskeletal protein alpha-14 giardin (annexin E1) from the intestinal protozoan parasite Giardia lamblia J.Mol.Biol. 2009 385 1098 1112 3CHK 19046974 Calcium bound structure of alpha-14 giardin 2008-03-10 2009-01-06 Pathuri, P.,Nguyen, E.T.,Ozorowski, G.,Svard, S.G.,Luecke, H. Apo and calcium-bound crystal structures of cytoskeletal protein alpha-14 giardin (annexin E1) from the intestinal protozoan parasite Giardia lamblia J.Mol.Biol. 2009 385 1098 1112 3FKQ 22211578 Crystal structure of NtrC-like two-domain protein (RER070207001320) from Eubacterium rectale at 2.10 A resolution 2008-12-17 2009-01-06 Xu, Q.,Christen, B.,Chiu, H.J.,Jaroszewski, L.,Klock, H.E.,Knuth, M.W.,Miller, M.D.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Figurski, D.H.,Shapiro, L.,Wilson, I.A. Structure of the pilus assembly protein TadZ from Eubacterium rectale: implications for polar localization. Mol.Microbiol. 2012 83 712 727 3FJS CRYSTAL STRUCTURE OF A PUTATIVE BIOSYNTHETIC PROTEIN WITH RMLC-LIKE CUPIN FOLD (REUT_B4087) FROM RALSTONIA EUTROPHA JMP134 AT 1.90 A RESOLUTION 2008-12-15 2009-01-13 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function with RmlC-like cupin fold (YP_298287.1) from RALSTONIA EUTROPHA JMP134 at 1.90 A resolution To be published 0 0 0 0 3FJV Crystal structure of novel protein of unknown function (YP_111841.1) from BURKHOLDERIA PSEUDOMALLEI K96243 at 1.90 A resolution 2008-12-15 2009-01-13 Joint Center for Structural Genomics (JCSG) Crystal structure of novel protein of unknown function (YP_111841.1) from BURKHOLDERIA PSEUDOMALLEI K96243 at 1.90 A resolution To be published 0 0 0 0 3FKJ Crystal structure of a putative phosphosugar isomerase (stm_0572) from salmonella typhimurium lt2 at 2.12 A resolution 2008-12-16 2009-01-13 Joint Center for Structural Genomics (JCSG) Crystal structure of putative phosphosugar isomerase (NP_459564.1) from SALMONELLA TYPHIMURIUM LT2 at 2.12 A resolution To be published 0 0 0 0 3FM2 CRYSTAL STRUCTURE OF A PUTATIVE HEME-BINDING PROTEIN (AVA_4353) FROM ANABAENA VARIABILIS ATCC 29413 AT 1.80 A RESOLUTION 2008-12-19 2009-01-13 Joint Center for Structural Genomics (JCSG) Crystal structure of uncharacterized protein, distantly related to a heme binding/degrading HemS (PF05171) family (YP_324846.1) from Anabaena variabilis ATCC 29413 at 1.80 A resolution To be published 0 0 0 0 2QQP 20541507 Crystal Structure of Authentic Providence Virus 2007-07-26 2009-01-20 Speir, J.A.,Taylor, D.J.,Natarajan, P.,Pringle, F.M.,Ball, L.A.,Johnson, J.E. Evolution in action: N and C termini of subunits in related T = 4 viruses exchange roles as molecular switches. Structure 2010 18 700 709 3BXW 20724479 Crystal Structure of Stabilin-1 Interacting Chitinase-Like Protein, SI-CLP 2008-01-15 2009-01-20 Meng, G.,Zhao, Y.,Bai, X.,Liu, Y.,Green, T.J.,Luo, M.,Zheng, X. Structure of human stabilin-1 interacting chitinase-like protein (SI-CLP) reveals a saccharide-binding cleft with lower sugar-binding selectivity. J.Biol.Chem. 2010 285 39898 39904 3BXW 20724479 Crystal Structure of Stabilin-1 Interacting Chitinase-Like Protein, SI-CLP 2008-01-15 2009-01-20 Meng, G.,Zhao, Y.,Bai, X.,Liu, Y.,Green, T.J.,Luo, M.,Zheng, X. Structure of human stabilin-1 interacting chitinase-like protein (SI-CLP) reveals a saccharide-binding cleft with lower sugar-binding selectivity. J.Biol.Chem. 2010 285 39898 39904 3FFV 19139097 Crystal Structure Analysis of Syd 2008-12-04 2009-01-27 Dalal, K.,Nguyen, N.,Alami, M.,Tan, J.,Moraes, T.F.,Lee, W.C.,Maurus, R.,Sligar, S.S.,Brayer, G.D.,Duong, F. Structure, Binding, and Activity of Syd, a SecY-interacting Protein J.Biol.Chem. 2009 284 7897 7902 3FMB Crystal structure of dimeric protein of unknown function and ferredoxin-like fold (YP_212648.1) from Bacteroides fragilis NCTC 9343 at 1.85 A resolution 2008-12-19 2009-01-27 Joint Center for Structural Genomics (JCSG) Crystal structure of dimeric protein of unknown function and ferredoxin-like fold (YP_212648.1) from Bacteroides fragilis NCTC 9343 at 1.85 A resolution To be published 0 0 0 0 3FSD Crystal structure of NTF2-like protein of unknown function in nutrient uptake (YP_427473.1) from RHODOSPIRILLUM RUBRUM ATCC 11170 at 1.70 A resolution 2009-01-09 2009-02-10 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-like protein of unknown function in nutrient uptake (YP_427473.1) from RHODOSPIRILLUM RUBRUM ATCC 11170 at 1.70 A resolution To be published 0 0 0 0 3FSH 19223579 Crystal structure of the ubiquitin conjugating enzyme Ube2g2 bound to the G2BR domain of ubiquitin ligase gp78 2009-01-09 2009-02-10 Li, W.,Tu, D.,Li, L.,Wollert, T.,Ghirlando, R.,Brunger, A.T.,Ye, Y. Mechanistic insights into active site-associated polyubiquitination by the ubiquitin-conjugating enzyme Ube2g2. Proc.Natl.Acad.Sci.USA 2009 106 3722 3727 3FVW Crystal structure of the Q8DWD8_STRMU protein from Streptococcus mutans. Northeast Structural Genomics Consortium target SmR99. 2009-01-16 2009-02-10 Vorobiev, S.M.,Abashidze, M.,Belote, R.L.,Foote, E.L.,Ciccosanti, C.,Janjua, H.,Xiao, R.,Acton, T.,Montelione, G.T.,Hunt, J.F.,Tong, L. Crystal structure of the Q8DWD8_STRMU protein from Streptococcus mutans. To be Published 0 0 0 0 3FZQ Crystal structure of putative haloacid dehalogenase-like hydrolase (YP_001086940.1) from Clostridium difficile 630 at 2.10 A resolution 2009-01-26 2009-02-10 Joint Center for Structural Genomics (JCSG) Crystal structure of putative haloacid dehalogenase-like hydrolase (YP_001086940.1) from Clostridium difficile 630 at 2.10 A resolution To be published 0 0 0 0 3G0K Crystal structure of a protein of unknown function with a cystatin-like fold (saro_2880) from novosphingobium aromaticivorans dsm at 1.30 A resolution 2009-01-28 2009-02-10 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function with a cystatin-like fold (YP_498150.1) from Novosphingobium aromaticivorans DSM 12444 at 1.30 A resolution To be published 0 0 0 0 3G3S Crystal structure of GCN5-related N-acetyltransferase-like protein (ZP_00874857) (ZP_00874857.1) from Streptococcus suis 89/1591 at 1.80 A resolution 2009-02-02 2009-02-10 Joint Center for Structural Genomics (JCSG) Crystal structure of GCN5-related N-acetyltransferase-like protein (ZP_00874857) (ZP_00874857.1) from Streptococcus suis 89/1591 at 1.80 A resolution To be published 0 0 0 0 3COH 18630890 Crystal structure of Aurora-A in complex with a pentacyclic inhibitor 2008-03-28 2009-02-17 Rawson, T.E.,Ruth, M.,Blackwood, E.,Burdick, D.,Corson, L.,Dotson, J.,Drummond, J.,Fields, C.,Georges, G.J.,Goller, B.,Halladay, J.,Hunsaker, T.,Kleinheinz, T.,Krell, H.W.,Li, J.,Liang, J.,Limberg, A.,McNutt, A.,Moffat, J.,Phillips, G.,Ran, Y.,Safina, B.,Ultsch, M.,Walker, L.,Wiesmann, C.,Zhang, B.,Zhou, A.,Zhu, B.Y.,Ruger, P.,Cochran, A.G. A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J.Med.Chem. 2008 51 4465 4475 3G14 Crystal structure of nitroreductase family protein (YP_877874.1) from Clostridium novyi NT at 1.75 A resolution 2009-01-29 2009-02-17 Joint Center for Structural Genomics (JCSG) Crystal structure of nitroreductase family protein (YP_877874.1) from Clostridium novyi NT at 1.75 A resolution To be published 0 0 0 0 3G16 Crystal structure of protein of unknown function with cystatin-like fold (YP_001022489.1) from METHYLOBIUM PETROLEOPHILUM PM1 at 1.45 A resolution 2009-01-29 2009-02-17 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function with cystatin-like fold (YP_001022489.1) from METHYLOBIUM PETROLEOPHILUM PM1 at 1.45 A resolution To be published 0 0 0 0 3D0Z 19177365 Structural charcaterization of an engineered allosteric protein 2008-05-02 2009-02-24 Sagermann, M.,Chapleau, R.R.,DeLorimier, E.,Lei, M. Using affinity chromatography to engineer and characterize pH-dependent protein switches. Protein Sci. 2009 18 217 228 3G8Z Crystal structure of protein of unknown function with cystatin-like fold (NP_639274.1) from Xanthomonas campestris at 1.90 A resolution 2009-02-12 2009-02-24 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function with cystatin-like fold (NP_639274.1) from Xanthomonas campestris at 1.90 A resolution To be published 0 0 0 0 3G7Q Crystal structure of valine-pyruvate aminotransferase AvtA (NP_462565.1) from Salmonella typhimurium LT2 at 1.80 A resolution 2009-02-10 2009-03-03 Joint Center for Structural Genomics (JCSG) Crystal structure of valine-pyruvate aminotransferase AvtA (NP_462565.1) from Salmonella typhimurium LT2 at 1.80 A resolution To be published 0 0 0 0 2R6Q Crystal Structure of BclA-island Construct 2007-09-06 2009-03-10 Han, B.W.,Herrin, B.R.,Morris, G.M.,Choe, J.,Cooper, M.D.,Wilson, I.A. Crystal structure of BclA-island Construct To be Published 0 0 0 0 3GFF Crystal structure of IroE-like serine hydrolase (NP_718593.1) from SHEWANELLA ONEIDENSIS at 2.12 A resolution 2009-02-26 2009-03-10 Joint Center for Structural Genomics (JCSG) Crystal structure of IroE-like serine hydrolase (NP_718593.1) from SHEWANELLA ONEIDENSIS at 2.12 A resolution To be published 0 0 0 0 3GE5 Crystal structure of a putative nad(p)h:fmn oxidoreductase (pg0310) from porphyromonas gingivalis w83 at 1.70 A resolution 2009-02-25 2009-03-17 Joint Center for Structural Genomics (JCSG) Crystal structure of putative NAD(P)H:FMN oxidoreductase (NP_904626.1) from PORPHYROMONAS GINGIVALIS W83 at 1.70 A resolution To be published 0 0 0 0 3GED 19774618 Fingerprint and Structural Analysis of a Apo SCOR enzyme from Clostridium thermocellum 2009-02-25 2009-03-17 Huether, R.,Liu, Z.J.,Xu, H.,Wang, B.C.,Pletnev, V.Z.,Mao, Q.,Duax, W.L.,Umland, T.C. Sequence fingerprint and structural analysis of the SCOR enzyme A3DFK9 from Clostridium thermocellum. Proteins 2010 78 603 613 3GEG 19774618 Fingerprint and Structural Analysis of a SCOR enzyme with its bound cofactor from Clostridium thermocellum 2009-02-25 2009-03-17 Huether, R.,Liu, Z.J.,Xu, H.,Wang, B.C.,Pletnev, V.Z.,Mao, Q.,Duax, W.L.,Umland, T.C. Sequence fingerprint and structural analysis of the SCOR enzyme A3DFK9 from Clostridium thermocellum. Proteins 2010 78 603 613 3GFA Crystal structure of a putative nitroreductase in complex with fmn (cd3205) from clostridium difficile 630 at 1.35 A resolution 2009-02-26 2009-03-17 Joint Center for Structural Genomics (JCSG) Crystal structure of putative nitroreductase in complex with FMN (YP_001089721.1) from CLOSTRIDIUM DIFFICILE 630 at 1.35 A resolution To be published 0 0 0 0 3EE7 19153232 Crystal Structure of SARS-CoV nsp9 G104E 2008-09-04 2009-03-24 Miknis, Z.J.,Donaldson, E.F.,Umland, T.C.,Rimmer, R.A.,Baric, R.S.,Schultz, L.W. Severe acute respiratory syndrome coronavirus nsp9 dimerization is essential for efficient viral growth J.Virol. 2009 83 3007 3018 3G61 19325113 Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding 2009-02-05 2009-03-24 Aller, S.G.,Yu, J.,Ward, A.,Weng, Y.,Chittaboina, S.,Zhuo, R.,Harrell, P.M.,Trinh, Y.T.,Zhang, Q.,Urbatsch, I.L.,Chang, G. Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding. Science 2009 323 1718 1722 3GO5 20399190 Crystal structure of a multidomain protein with nucleic acid binding domains (sp_0946) from streptococcus pneumoniae tigr4 at 1.40 A resolution 2009-03-18 2009-04-07 Matsumoto, Y.,Xu, Q.,Miyazaki, S.,Kaito, C.,Farr, C.L.,Axelrod, H.L.,Chiu, H.J.,Klock, H.E.,Knuth, M.W.,Miller, M.D.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Sekimizu, K.,Wilson, I.A. Structure of a virulence regulatory factor CvfB reveals a novel winged helix RNA binding module. Structure 2010 18 537 547 3GRD Crystal structure of NTF2-superfamily protein with unknown function (NP_977240.1) from BACILLUS CEREUS ATCC 10987 at 1.25 A resolution 2009-03-25 2009-04-07 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-superfamily protein with unknown function (NP_977240.1) from BACILLUS CEREUS ATCC 10987 at 1.25 A resolution To be published 0 0 0 0 3GUX Crystal structure of a putative zn-dependent exopeptidase (bvu_1317) from bacteroides vulgatus atcc 8482 at 1.80 A resolution 2009-03-30 2009-04-07 Joint Center for Structural Genomics (JCSG) Crystal structure of putative Zn-dependent exopeptidase (YP_001298628.1) from Bacteroides vulgatus ATCC 8482 at 1.80 A resolution To be published 0 0 0 0 3GJA 19281171 CytC3 2009-03-08 2009-04-14 Wong, C.,Fujimori, D.G.,Walsh, C.T.,Drennan, C.L. Structural analysis of an open active site conformation of nonheme iron halogenase CytC3 J.Am.Chem.Soc. 2009 131 4872 4879 3GJB 19281171 CytC3 with Fe(II) and alpha-ketoglutarate 2009-03-08 2009-04-14 Wong, C.,Fujimori, D.G.,Walsh, C.T.,Drennan, C.L. Structural analysis of an open active site conformation of nonheme iron halogenase CytC3 J.Am.Chem.Soc. 2009 131 4872 4879 3GO4 Crystal structure of a duf574 family protein (sav_2177) from streptomyces avermitilis ma-4680 at 1.80 A resolution 2009-03-18 2009-04-14 Joint Center for Structural Genomics (JCSG) Crystal structure of Rossmann-fold protein of unknown function (DUF574) (NP_823353.1) from Streptomyces avermitilis MA-4680 at 1.80 A resolution To be published 0 0 0 0 3GOE 19363481 Molecular Mimicry of SUMO promotes DNA repair 2009-03-19 2009-04-14 Prudden, J.,Perry, J.J.,Arvai, A.S.,Tainer, J.A.,Boddy, M.N. Molecular mimicry of SUMO promotes DNA repair. Nat.Struct.Mol.Biol. 2009 16 509 516 3GS9 Crystal structure of prophage tail protein gp18 (NP_465809.1) from Listeria monocytogenes EGD-e at 1.70 A resolution 2009-03-26 2009-04-14 Joint Center for Structural Genomics (JCSG) Crystal structure of prophage tail protein gp18 (NP_465809.1) from Listeria monocytogenes EGD-e at 1.70 A resolution To be published 0 0 0 0 3GXH Crystal structure of Putative phosphatase (DUF442) (YP_001181608.1) from SHEWANELLA PUTREFACIENS CN-32 at 1.40 A resolution 2009-04-02 2009-04-21 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative phosphatase (DUF442) (YP_001181608.1) from SHEWANELLA PUTREFACIENS CN-32 at 1.40 A resolution To be published 0 0 0 0 3GZA Crystal structure of putative alpha-L-fucosidase (NP_812709.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.60 A resolution 2009-04-06 2009-04-21 Joint Center for Structural Genomics (JCSG) Crystal structure of putative alpha-L-fucosidase (NP_812709.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.60 A resolution To be Published 0 0 0 0 3GZB Crystal structure of putative SnoaL-like polyketide cyclase (YP_001182657.1) from Shewanella putrefaciens CN-32 at 1.44 A resolution 2009-04-06 2009-04-21 Joint Center for Structural Genomics (JCSG) Crystal structure of putative SnoaL-like polyketide cyclase (YP_001182657.1) from Shewanella putrefaciens CN-32 at 1.44 A resolution To be published 0 0 0 0 3GZB Crystal structure of putative SnoaL-like polyketide cyclase (YP_001182657.1) from Shewanella putrefaciens CN-32 at 1.44 A resolution 2009-04-06 2009-04-21 Joint Center for Structural Genomics (JCSG) Crystal structure of putative SnoaL-like polyketide cyclase (YP_001182657.1) from Shewanella putrefaciens CN-32 at 1.44 A resolution To be published 0 0 0 0 3GZR CRYSTAL STRUCTURE OF AN UNCHARACTERIZED PROTEIN WITH A CYSTATIN-LIKE FOLD (CC_2572) FROM CAULOBACTER VIBRIOIDES AT 1.40 A RESOLUTION 2009-04-07 2009-04-21 Joint Center for Structural Genomics (JCSG) Crystal structure of Domain of unknown function with a NTF2-like fold (NP_421374.1) from CAULOBACTER CRESCENTUS at 1.40 A resolution To be published 0 0 0 0 3H09 19393662 The structure of Haemophilus influenzae IgA1 protease 2009-04-08 2009-04-21 Johnson, T.A.,Qiu, J.,Plaut, A.G.,Holyoak, T. Active-Site Gating Regulates Substrate Selectivity in a Chymotrypsin-Like Serine Protease The Structure of Haemophilus influenzae Immunoglobulin A1 Protease. J.Mol.Biol. 2009 389 559 574 3H0N 20944211 Crystal structure of a duf1470 family protein (jann_2411) from jannaschia sp. ccs1 at 1.45 A resolution 2009-04-09 2009-04-21 Bakolitsa, C.,Bateman, A.,Jin, K.K.,McMullan, D.,Krishna, S.S.,Miller, M.D.,Abdubek, P.,Acosta, C.,Astakhova, T.,Axelrod, H.L.,Burra, P.,Carlton, D.,Chiu, H.J.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Elias, Y.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Grzechnik, S.K.,Han, G.W.,Jaroszewski, L.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Kumar, A.,Marciano, D.,Morse, A.T.,Murphy, K.D.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Paulsen, J.,Reyes, R.,Rife, C.L.,Sefcovic, N.,Tien, H.,Trame, C.B.,Trout, C.V.,van den Bedem, H.,Weekes, D.,White, A.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.,Wilson, I.A. The structure of Jann_2411 (DUF1470) from Jannaschia sp. at 1.45  resolution reveals a new fold (the ABATE domain) and suggests its possible role as a transcription regulator. Acta Crystallogr.,Sect.F 2010 66 1198 1204 3H3I CRYSTAL STRUCTURE OF A PUTATIVE LIPID BINDING PROTEIN (BT_2261) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.20 A RESOLUTION 2009-04-16 2009-04-28 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative lipid binding protein (NP_811174.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.20 A resolution To be Published 0 0 0 0 3H3L Crystal structure of PUTATIVE SUGAR HYDROLASE (YP_001304206.1) from Parabacteroides distasonis ATCC 8503 at 1.59 A resolution 2009-04-16 2009-04-28 Joint Center for Structural Genomics (JCSG) Crystal structure of PUTATIVE SUGAR HYDROLASE (YP_001304206.1) from Parabacteroides distasonis ATCC 8503 at 1.59 A resolution To be published 0 0 0 0 3H3H Crystal structure of a snoal-like protein of unknown function (bth_ii0226) from burkholderia thailandensis e264 at 1.60 A resolution 2009-04-16 2009-05-05 Joint Center for Structural Genomics (JCSG) Crystal structure of SnoaL-like protein of unknown function (YP_438428.1) from Burkholderia thailandensis E264 at 1.60 A resolution To be published 0 0 0 0 3H41 20944232 CRYSTAL STRUCTURE OF A NLPC/P60 FAMILY PROTEIN (BCE_2878) FROM BACILLUS CEREUS ATCC 10987 AT 1.79 A RESOLUTION 2009-04-17 2009-05-05 Xu, Q.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Bakolitsa, C.,Cai, X.,Carlton, D.,Chen, C.,Chiu, H.J.,Chiu, M.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Ellrott, K.,Farr, C.L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Lam, W.W.,Marciano, D.,Miller, M.D.,Morse, A.T.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Puckett, C.,Reyes, R.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Wooten, T.,Yeh, A.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structure of the gamma-D-glutamyl-L-diamino acid endopeptidase YkfC from Bacillus cereus in complex with L-Ala-[gamma]-D-Glu: insights into substrate recognition by NlpC/P60 cysteine peptidases Acta Crystallogr.,Sect.F 2010 66 1354 1364 3H4Y Crystal structure of putative chemotaxis protein (YP_009526.1) from DESULFOVIBRIO VULGARIS HILDENBOROUGH at 1.55 A resolution 2009-04-21 2009-05-05 Joint Center for Structural Genomics (JCSG) Crystal structure of putative chemotaxis protein (YP_009526.1) from DESULFOVIBRIO VULGARIS HILDENBOROUGH at 1.55 A resolution To be published 0 0 0 0 3H50 20944231 CRYSTAL STRUCTURE OF A TETRACENOMYCIN POLYKETIDE SYNTHESIS PROTEIN (TCMJ) FROM XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS AT 1.60 A RESOLUTION 2009-04-21 2009-05-05 Axelrod, H.L.,Kozbial, P.,McMullan, D.,Krishna, S.S.,Miller, M.D.,Abdubek, P.,Acosta, C.,Astakhova, T.,Carlton, D.,Caruthers, J.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Elias, Y.,Feuerhelm, J.,Grzechnik, S.K.,Grant, J.C.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kumar, A.,Marciano, D.,Morse, A.T.,Murphy, K.D.,Nigoghossian, E.,Okach, L.,Oommachen, S.,Paulsen, J.,Reyes, R.,Rife, C.L.,Tien, H.J.,Trout, C.V.,van den Bedem, H.,Weekes, D.,White, A.,Xu, Q.,Zubieta, C.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Conformational changes associated with the binding of zinc acetate at the putative active site of XcTcmJ, a cupin from Xanthomonas campestris pv. campestris. Acta Crystallogr.,Sect.F 2010 66 1347 1353 3H51 Crystal structure of Putative calcium/calmodulin dependent protein kinase II association domain (NP_636218.1) from XANTHOMONAS CAMPESTRIS at 1.70 A resolution 2009-04-21 2009-05-05 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative calcium/calmodulin dependent protein kinase II association domain (NP_636218.1) from XANTHOMONAS CAMPESTRIS at 1.70 A resolution To be published 0 0 0 0 3H08 19408959 Crystal structure of the Ribonuclease H1 from Chlorobium tepidum 2009-04-08 2009-05-12 Ratcliff, K.,Corn, J.,Marqusee, S. Structure, stability, and folding of ribonuclease H1 from the moderately thermophilic chlorobium tepidum: comparison with thermophilic and mesophilic homologues. Biochemistry 2009 48 5890 5898 3GSK 19374348 A Bulky Rhodium Complex Bound to an Adenosine-Adenosine DNA Mismatch 2009-03-27 2009-05-19 Zeglis, B.M.,Pierre, V.C.,Kaiser, J.T.,Barton, J.K. A bulky rhodium complex bound to an adenosine-adenosine DNA mismatch: general architecture of the metalloinsertion binding mode Biochemistry 2009 48 4247 4253 3H4O Crystal structure of a nitroreductase family protein (cd3355) from clostridium difficile 630 at 1.50 A resolution 2009-04-20 2009-05-19 Joint Center for Structural Genomics (JCSG) Crystal structure of NITROREDUCTASE FAMILY PROTEIN (YP_001089872.1) from CLOSTRIDIUM DIFFICILE 630 at 1.50 A resolution To be published 0 0 0 0 3GCD 19465933 Structure of the V. cholerae RTX cysteine protease domain in complex with an aza-Leucine peptide inhibitor 2009-02-21 2009-05-26 Shen, A.,Lupardus, P.J.,Albrow, V.E.,Guzzetta, A.,Powers, J.C.,Garcia, K.C.,Bogyo, M. Mechanistic and structural insights into the proteolytic activation of Vibrio cholerae MARTX toxin. Nat.Chem.Biol. 2009 5 469 478 3HBZ 20944224 Crystal structure of a putative glycoside hydrolase (bt_2081) from bacteroides thetaiotaomicron vpi-5482 at 2.05 A resolution 2009-05-05 2009-05-26 Yeh, A.P.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Bakolitsa, C.,Cai, X.,Carlton, D.,Chen, C.,Chiu, H.J.,Chiu, M.,Clayton, T.,Das, D.,Deller, M.C.,Duan, L.,Ellrott, K.,Farr, C.L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Lam, W.W.,Marciano, D.,McMullan, D.,Miller, M.D.,Morse, A.T.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Puckett, C.,Reyes, R.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Wooten, T.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structure of Bacteroides thetaiotaomicron BT2081 at 2.05 A resolution: the first structural representative of a new protein family that may play a role in carbohydrate metabolism. Acta Crystallogr.,Sect.F 2010 66 1287 1296 3HFD Nucleosome Assembly Protein 1 from Plasmodium knowlesi 2009-05-11 2009-05-26 Merritt, E.A.,Arakaki, T.,Napuli, A.,Mueller, N.,Van Voorhis, W.C.,Buckner, F.S.,Fan, E.,Zucker, F.,Verlinde, L.M.J.,Zhang, L.,Hol, W.G.J. Nucleosome Assembly Protein 1 from Plasmodium knowlesi To be Published 0 0 0 0 3HFQ Crystal structure of the lp_2219 protein from Lactobacillus plantarum. Northeast Structural Genomics Consortium Target LpR118. 2009-05-12 2009-05-26 Vorobiev, S.M.,Scott, L.,Schauder, C.,Xiao, R.,Ciccosanti, C.,Foote, E.L.,Maglaqui, M.,Everett, J.K.,Nair, R.,Acton, T.B.,Rost, B.,Montelione, G.T.,Tong, L.,Hunt, J.F. Crystal structure of the lp_2219 protein from Lactobacillus plantarum. To be Published 0 0 0 0 3HIX Crystal Structure of the Rhodanese_3 like domain from Anabaena sp Alr3790 protein. Northeast Structural Genomics Consortium Target NsR437i 2009-05-20 2009-05-26 Vorobiev, S.,Chen, Y.,Forouhar, F.,Maglaqui, M.,Ciccosanti, C.,Mao, L.,Xiao, R.,Acton, T.B.,Montelione, G.T.,Tong, L.,Hunt, J.F. Crystal Structure of the Rhodanese_3 like domain from Anabaena sp Alr3790 protein. To be Published 0 0 0 0 3GTG 19478184 Backtracked RNA polymerase II complex with 12mer RNA 2009-03-27 2009-06-09 Wang, D.,Bushnell, D.A.,Huang, X.,Westover, K.D.,Levitt, M.,Kornberg, R.D. Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science 2009 324 1203 1206 3GTJ 19478184 Backtracked RNA polymerase II complex with 13mer RNA 2009-03-27 2009-06-09 Wang, D.,Bushnell, D.A.,Huang, X.,Westover, K.D.,Levitt, M.,Kornberg, R.D. Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science 2009 324 1203 1206 3GTK 19478184 Backtracked RNA polymerase II complex with 18mer RNA 2009-03-27 2009-06-09 Wang, D.,Bushnell, D.A.,Huang, X.,Westover, K.D.,Levitt, M.,Kornberg, R.D. Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science 2009 324 1203 1206 3GTL 19478184 Backtracked RNA polymerase II complex with 13mer with G<>U mismatch 2009-03-27 2009-06-09 Wang, D.,Bushnell, D.A.,Huang, X.,Westover, K.D.,Levitt, M.,Kornberg, R.D. Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science 2009 324 1203 1206 3GTM 19478184 Co-complex of Backtracked RNA polymerase II with TFIIS 2009-03-27 2009-06-09 Wang, D.,Bushnell, D.A.,Huang, X.,Westover, K.D.,Levitt, M.,Kornberg, R.D. Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science 2009 324 1203 1206 3GTP 19478184 Backtracked RNA polymerase II complex with 24mer RNA 2009-03-27 2009-06-09 Wang, D.,Bushnell, D.A.,Huang, X.,Westover, K.D.,Levitt, M.,Kornberg, R.D. Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science 2009 324 1203 1206 3GTQ 19478184 Backtracked RNA polymerase II complex induced by damage 2009-03-27 2009-06-09 Wang, D.,Bushnell, D.A.,Huang, X.,Westover, K.D.,Levitt, M.,Kornberg, R.D. Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science 2009 324 1203 1206 3GX4 19516334 Crystal Structure Analysis of S. Pombe ATL in complex with DNA 2009-04-01 2009-06-09 Tubbs, J.L.,Latypov, V.,Kanugula, S.,Butt, A.,Melikishvili, M.,Kraehenbuehl, R.,Fleck, O.,Marriott, A.,Watson, A.J.,Verbeek, B.,McGown, G.,Thorncroft, M.,Santibanez-Koref, M.F.,Millington, C.,Arvai, A.S.,Kroeger, M.D.,Peterson, L.A.,Williams, D.M.,Fried, M.G.,Margison, G.P.,Pegg, A.E.,Tainer, J.A. Flipping of alkylated DNA damage bridges base and nucleotide excision repair. Nature 2009 459 808 813 3HK4 CRYSTAL STRUCTURE OF A PUTATIVE SNOAL-LIKE POLYKETIDE CYCLASE [CARBOHYDRATE PHOSPHATASE] (MLR7391) FROM MESORHIZOBIUM LOTI AT 1.96 A RESOLUTION 2009-05-22 2009-06-09 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-like protein of unknown function (NP_107719.1) from Mesorhizobium loti at 1.96 A resolution To be published 0 0 0 0 3HL1 CRYSTAL STRUCTURE OF A FERRITIN LIKE PROTEIN (CC_0557) FROM CAULOBACTER VIBRIOIDES AT 1.95 A RESOLUTION 2009-05-26 2009-06-09 Joint Center for Structural Genomics (JCSG) Crystal structure of ferritin like protein from Caulobacter crescentus CB15 (NP_419375.1) from Caulobacter crescentus at 1.95 A resolution To be published 0 0 0 0 3HLY Crystal Structure of the Flavodoxin-like domain from Synechococcus sp Q5MZP6_SYNP6 protein. Northeast Structural Genomics Consortium Target SnR135d. 2009-05-28 2009-06-09 Vorobiev, S.,Su, M.,Lee, D.,Ciccosanti, C.,Sahdev, S.,Xiao, R.,Acton, T.B.,Montelione, G.T.,Tong, L.,Hunt, J.F. Crystal Structure of the Flavodoxin-like domain from Synechococcus sp. Q5MZP6_SYNP6 protein. To be Published 0 0 0 0 3GYH 19516334 Crystal Structure Analysis of S. Pombe ATL in complex with damaged DNA containing POB 2009-04-03 2009-06-16 Tubbs, J.L.,Latypov, V.,Kanugula, S.,Butt, A.,Melikishvili, M.,Kraehenbuehl, R.,Fleck, O.,Marriott, A.,Watson, A.J.,Verbeek, B.,McGown, G.,Thorncroft, M.,Santibanez-Koref, M.F.,Millington, C.,Arvai, A.S.,Kroeger, M.D.,Peterson, L.A.,Williams, D.M.,Fried, M.G.,Margison, G.P.,Pegg, A.E.,Tainer, J.A. Flipping of alkylated DNA damage bridges base and nucleotide excision repair. Nature 2009 459 808 813 3HI0 Crystal structure of Putative exopolyphosphatase (17739545) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 2.30 A resolution 2009-05-18 2009-06-16 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative exopolyphosphatase (17739545) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 2.30 A resolution To be published 0 0 0 0 3HJ9 Crystal structure of a putative nitroreductase (reut_a1228) from ralstonia eutropha jmp134 at 2.00 A resolution 2009-05-21 2009-06-16 Joint Center for Structural Genomics (JCSG) Crystal structure of oxidoreductase (YP_295443.1) from RALSTONIA EUTROPHA JMP134 at 2.00 A resolution To be published 0 0 0 0 3HLZ Crystal structure of BT_1490 (NP_810393.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.50 A resolution 2009-05-28 2009-06-16 Joint Center for Structural Genomics (JCSG) Crystal structure of BT_1490 (NP_810393.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.50 A resolution To be Published 0 0 0 0 3FN0 19515770 Crystal structure of HIV-1 neutralizing human Fab Z13e1 in complex with a 12-residue peptide containing the Z13e1 epitope on gp41 2008-12-22 2009-06-23 Pejchal, R.,Gach, J.S.,Brunel, F.M.,Cardoso, R.M.,Stanfield, R.L.,Dawson, P.E.,Burton, D.R.,Zwick, M.B.,Wilson, I.A. A conformational switch in human immunodeficiency virus gp41 revealed by the structures of overlapping epitopes recognized by neutralizing antibodies. J.Virol. 2009 83 8451 8462 3HO5 19561609 Crystal structure of Hedgehog-interacting protein (HHIP) and Sonic hedgehog (SHH) complex 2009-06-01 2009-06-23 Bosanac, I.,Maun, H.R.,Scales, S.J.,Wen, X.,Lingel, A.,Bazan, J.F.,de Sauvage, F.J.,Hymowitz, S.G.,Lazarus, R.A. The structure of SHH in complex with HHIP reveals a recognition role for the Shh pseudo active site in signaling. Nat.Struct.Mol.Biol. 2009 16 691 697 3HTV Crystal structure of D-allose kinase (NP_418508.1) from ESCHERICHIA COLI K12 at 1.95 A resolution 2009-06-12 2009-06-23 Joint Center for Structural Genomics (JCSG) Crystal structure of D-allose kinase (NP_418508.1) from ESCHERICHIA COLI K12 at 1.95 A resolution To be published 0 0 0 0 3FRS 19525971 Structure of human IST1(NTD) (residues 1-189)(p43212) 2009-01-08 2009-06-30 Bajorek, M.,Schubert, H.L.,McCullough, J.,Langelier, C.,Eckert, D.M.,Stubblefield, W.M.,Uter, N.T.,Myszka, D.G.,Hill, C.P.,Sundquist, W.I. Structural basis for ESCRT-III protein autoinhibition. Nat.Struct.Mol.Biol. 2009 16 754 762 3FRT 19525971 The structure of human CHMP3 (residues 8 - 222). 2009-01-08 2009-06-30 Bajorek, M.,Schubert, H.L.,McCullough, J.,Langelier, C.,Eckert, D.M.,Stubblefield, W.M.,Uter, N.T.,Myszka, D.G.,Hill, C.P.,Sundquist, W.I. Structural basis for ESCRT-III protein autoinhibition. Nat.Struct.Mol.Biol. 2009 16 754 762 3HMZ CRYSTAL STRUCTURE OF A FMN-BINDING DOMAIN OF FLAVIN REDUCTASES-LIKE ENZYME (SBAL_0626) FROM SHEWANELLA BALTICA OS155 AT 1.50 A RESOLUTION 2009-05-29 2009-06-30 Joint Center for Structural Genomics (JCSG) Crystal structure of FMN-binding domain of flavin reductases-like enzyme (YP_001049024.1) from Shewanella baltica OS155 at 1.50 A resolution To be published 0 0 0 0 3HTN Crystal structure of a putative dna binding protein (bt_1116) from bacteroides thetaiotaomicron vpi-5482 at 1.50 A resolution 2009-06-12 2009-06-30 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative DNA binding protein (NP_810029.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.50 A resolution To be Published 0 0 0 0 3HTZ Crystal Structure of the catalytic fragment of alanyl-tRNA synthetase in complex with L-serine: Re-refined 2009-06-12 2009-06-30 Guo, M.,Schimmel, P. Serine Paradox To be Published 0 0 0 0 3DBK Pseudomonas aeruginosa elastase with phosphoramidon 2008-06-01 2009-07-07 Overgaard, M.T.,McKay, D.B. Structure of the Elastase of Pseudomonas aeruginosa Complexed with Phosphoramidon To be Published 0 0 0 0 3ETC 19544569 2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298 2008-10-07 2009-07-07 Shah, M.B.,Ingram-Smith, C.,Cooper, L.L.,Qu, J.,Meng, Y.,Smith, K.S.,Gulick, A.M. The 2.1 A crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates. Proteins 2009 77 685 698 3GXG Crystal structure of Putative phosphatase (DUF442) (YP_001181608.1) from SHEWANELLA PUTREFACIENS CN-32 at 1.60 A resolution 2009-04-02 2009-07-07 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative phosphatase (DUF442) (YP_001181608.1) from SHEWANELLA PUTREFACIENS CN-32 at 1.60 A resolution To be published 0 0 0 0 3H0Z 19402633 Aurora A in complex with a bisanilinopyrimidine 2009-04-10 2009-07-07 Aliagas-Martin, I.,Burdick, D.,Corson, L.,Dotson, J.,Drummond, J.,Fields, C.,Huang, O.W.,Hunsaker, T.,Kleinheinz, T.,Krueger, E.,Liang, J.,Moffat, J.,Phillips, G.,Pulk, R.,Rawson, T.E.,Ultsch, M.,Walker, L.,Wiesmann, C.,Zhang, B.,Zhu, B.Y.,Cochran, A.G. A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem. 2009 52 3300 3307 3HN0 CRYSTAL STRUCTURE OF AN ABC TRANSPORTER (BDI_1369) FROM PARABACTEROIDES DISTASONIS AT 1.75 A RESOLUTION 2009-05-29 2009-07-07 Joint Center for Structural Genomics (JCSG) Crystal structure of Nitrate transport protein (YP_001302749.1) from Parabacteroides distasonis ATCC 8503 at 1.75 A resolution To be published 0 0 0 0 3HNV 19577573 CS-35 Fab Complex with Oligoarabinofuranosyl Tetrasaccharide (branch part of Hexasaccharide) 2009-06-01 2009-07-21 Murase, T.,Zheng, R.B.,Joe, M.,Bai, Y.,Marcus, S.L.,Lowary, T.L.,Ng, K.K. Structural insights into antibody recognition of mycobacterial polysaccharides. J.Mol.Biol. 2009 392 381 392 3I0Y Crystal structure of a putative polyketide cyclase (xcc0381) from xanthomonas campestris pv. campestris at 1.50 A resolution 2009-06-25 2009-07-21 Joint Center for Structural Genomics (JCSG) Crystal structure of putative polyketide cyclase (NP_635776.1) from XANTHOMONAS CAMPESTRIS at 1.50 A resolution To be published 0 0 0 0 3I10 Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (NP_812074.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 A resolution 2009-06-25 2009-07-21 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (NP_812074.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 A resolution To be Published 0 0 0 0 3I7A Crystal structure of Putative metal-dependent phosphohydrolase (YP_926882.1) from Shewanella amazonensis SB2B at 2.06 A resolution 2009-07-08 2009-07-21 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative metal-dependent phosphohydrolase (YP_926882.1) from Shewanella amazonensis SB2B at 2.06 A resolution To be published 0 0 0 0 3I7F 19874856 Aspartyl tRNA synthetase from Entamoeba histolytica 2009-07-08 2009-07-21 Merritt, E.A.,Arakaki, T.L.,Larson, E.T.,Kelley, A.,Mueller, N.,Napuli, A.J.,Zhang, L.,Deditta, G.,Luft, J.,Verlinde, C.L.,Fan, E.,Zucker, F.,Buckner, F.S.,Van Voorhis, W.C.,Hol, W.G. Crystal structure of the aspartyl-tRNA synthetase from Entamoeba histolytica. Mol.Biochem.Parasitol. 2010 169 95 100 3HHZ 19571006 Complex of the vesicular stomatitis virus nucleocapsid and the nucleocapsid-binding domain of the phosphoprotein 2009-05-18 2009-07-28 Green, T.J.,Luo, M. Structure of the vesicular stomatitis virus nucleocapsid in complex with the nucleocapsid-binding domain of the small polymerase cofactor, P. Proc.Natl.Acad.Sci.USA 2009 106 11713 11718 3I5E 19666554 Allosteric Modulation of DNA by Small Molecules 2009-07-05 2009-07-28 Chenoweth, D.M.,Dervan, P.B. Allosteric modulation of DNA by small molecules Proc.Natl.Acad.Sci.USA 2009 106 13175 13179 3HRP Crystal structure of Structural genomics protein of unknown function (NP_812590.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution 2009-06-09 2009-08-04 Joint Center for Structural Genomics (JCSG) Crystal structure of Structural genomics protein of unknown function (NP_812590.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution To be Published 0 0 0 0 3IB5 Crystal structure of Sex pheromone precursor (YP_536235.1) from LACTOBACILLUS SALIVARIUS SUBSP. SALIVARIUS UCC118 at 1.35 A resolution 2009-07-15 2009-08-04 Joint Center for Structural Genomics (JCSG) Crystal structure of Sex pheromone precursor (YP_536235.1) from LACTOBACILLUS SALIVARIUS SUBSP. SALIVARIUS UCC118 at 1.35 A resolution To be published 0 0 0 0 3ICL X-Ray Structure of Protein (EAL/GGDEF domain protein) from M.capsulatus, Northeast Structural Genomics Consortium Target McR174C 2009-07-17 2009-08-04 Kuzin, A.,Chen, Y.,Seetharaman, J.,Mao, M.,Xiao, R.,Ciccosanti, C.,Foote, E.L.,Wang, H.,Everett, J.K.,Nair, R.,Acton, T.B.,Rost, B.,Montelione, G.T.,Tong, L.,Hunt, J.F. Northeast Structural Genomics Consortium Target McR174C To be Published 0 0 0 0 3IEH Crystal structure of Putative metallopeptidase (YP_001051774.1) from SHEWANELLA BALTICA OS155 at 2.45 A resolution 2009-07-22 2009-08-04 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative metallopeptidase (YP_001051774.1) from SHEWANELLA BALTICA OS155 at 2.45 A resolution To be published 0 0 0 0 3IHU Crystal structure of DNA binding protein (YP_298823.1) from Ralstonia eutropha JMP134 at 1.92 A resolution 2009-07-30 2009-08-11 Joint Center for Structural Genomics (JCSG) Crystal structure of DNA binding protein (YP_298823.1) from Ralstonia eutropha JMP134 at 1.92 A resolution To be published 0 0 0 0 3IHV Crystal structure of SusD homolog (NP_813570.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution 2009-07-30 2009-08-11 Joint Center for Structural Genomics (JCSG) Crystal structure of SusD homolog (NP_813570.1) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution To be Published 0 0 0 0 3IIC Crystal structure of CheC-like superfamily protein (YP_001095400.1) from Shewanella SP. PV-4 at 2.13 A resolution 2009-07-31 2009-08-18 Joint Center for Structural Genomics (JCSG) Crystal structure of CheC-like superfamily protein (YP_001095400.1) from Shewanella SP. PV-4 at 2.13 A resolution To be published 0 0 0 0 3IMM Crystal structure of Putative glycosyl hydrolase (YP_001301887.1) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution 2009-08-10 2009-08-18 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative glycosyl hydrolase (YP_001301887.1) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution To be published 0 0 0 0 2ZT5 Crystal structure of human glycyl-trna synthetase (GLYRS) in complex with AP4A (cocrystallized with ATP) 2008-09-19 2009-08-25 Guo, R.T.,Chong, Y.E.,Guo, M.,Yang, X.L. Crystal structures and biochemical analyses suggest unique mechanism and role for human GlyRS in Ap4A homeostasis To be Published 0 0 0 0 2ZT6 Crystal structure of human Glycyl-tRNA synthetase (GlyRS) in complex with AMPCPP 2008-09-19 2009-08-25 Guo, R.T.,Chong, Y.E.,Guo, M.,Yang, X.L. Crystal structures and biochemical analyses suggest unique mechanism and role for human GlyRS in Ap4A homeostasis To be Published 0 0 0 0 2ZT7 Crystal structure of human Glycyl-tRNA synthetase (GlyRS) in complex with Glycine and ATP 2008-09-19 2009-08-25 Guo, R.T.,Chong, Y.E.,Guo, M.,Yang, X.L. Crystal structures and biochemical analyses suggest unique mechanism and role for human GlyRS in Ap4A homeostasis To be Published 0 0 0 0 2ZT8 Crystal structure of human Glycyl-tRNA synthetase (GlyRS) in complex with Gly-AMP analog 2008-09-19 2009-08-25 Guo, R.T.,Chong, Y.E.,Guo, M.,Yang, X.L. Crystal structures and biochemical analyses suggest unique mechanism and role for human GlyRS in Ap4A homeostasis To be Published 0 0 0 0 2ZXF Crystal structure of human glycyl-trna synthetase (GLYRS) in complex with AP4A (cocrystallized with AP4A) 2008-12-23 2009-08-25 Guo, R.T.,Chong, Y.E.,Guo, M.,Yang, X.L. Crystal structures and biochemical analyses suggest unique mechanism and role for human GlyRS in Ap4A homeostasis To be Published 0 0 0 0 3IIB Crystal structure of Peptidase M28 precursor (YP_926796.1) from SHEWANELLA AMAZONENSIS SB2B at 1.70 A resolution 2009-07-31 2009-08-25 Joint Center for Structural Genomics (JCSG) Crystal structure of Peptidase M28 precursor (YP_926796.1) from SHEWANELLA AMAZONENSIS SB2B at 1.70 A resolution To be published 0 0 0 0 3I01 19583207 Native structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase from Moorella thermoacetica, water-bound C-cluster. 2009-06-24 2009-09-01 Kung, Y.,Doukov, T.I.,Seravalli, J.,Ragsdale, S.W.,Drennan, C.L. Crystallographic snapshots of cyanide- and water-bound C-clusters from bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase. Biochemistry 2009 48 7432 7440 3IRB 20944206 Crystal structure of protein with unknown function from DUF35 family (13815350) from SULFOLOBUS SOLFATARICUS at 1.80 A resolution 2009-08-21 2009-09-01 Krishna, S.S.,Aravind, L.,Bakolitsa, C.,Caruthers, J.,Carlton, D.,Miller, M.D.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Chiu, H.J.,Clayton, T.,Deller, M.C.,Duan, L.,Feuerhelm, J.,Grant, J.C.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kumar, A.,Marciano, D.,McMullan, D.,Morse, A.T.,Nigoghossian, E.,Okach, L.,Reyes, R.,Rife, C.L.,van den Bedem, H.,Weekes, D.,Xu, Q.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. The structure of SSO2064, the first representative of Pfam family PF01796, reveals a novel two-domain zinc-ribbon OB-fold architecture with a potential acyl-CoA-binding role. Acta Crystallogr.,Sect.F 2010 66 1160 1166 3IUZ Crystal structure of Putative glyoxalase superfamily protein (YP_299723.1) from RALSTONIA EUTROPHA JMP134 at 1.90 A resolution 2009-08-31 2009-09-08 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative glyoxalase superfamily protein (YP_299723.1) from RALSTONIA EUTROPHA JMP134 at 1.90 A resolution To be published 0 0 0 0 3IV0 Crystal structure of SusD homolog (NP_809186.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 A resolution 2009-08-31 2009-09-08 Joint Center for Structural Genomics (JCSG) Crystal structure of SusD homolog (NP_809186.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 A resolution To be Published 0 0 0 0 2WJ2 19722626 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(5-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole 2009-05-19 2009-09-15 Mileni, M.,Garfunkle, J.,Demartino, J.K.,Cravatt, B.F.,Boger, D.L.,Stevens, R.C. Binding and Inactivation Mechanism of a Humanized Fatty Acid Amide Hydrolase by Alpha-Ketoheterocycle Inhibitors Revealed from Cocrystal Structures. J.Am.Chem.Soc. 2009 131 10497 0 3IUP Crystal structure of Putative NADPH:quinone oxidoreductase (YP_296108.1) from RALSTONIA EUTROPHA JMP134 at 1.70 A resolution 2009-08-31 2009-09-15 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative NADPH:quinone oxidoreductase (YP_296108.1) from RALSTONIA EUTROPHA JMP134 at 1.70 A resolution To be published 0 0 0 0 3IUU Crystal structure of Putative metallopeptidase (YP_676511.1) from MESORHIZOBIUM SP. BNC1 at 2.13 A resolution 2009-08-31 2009-09-15 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative metallopeptidase (YP_676511.1) from MESORHIZOBIUM SP. BNC1 at 2.13 A resolution To be published 0 0 0 0 3GHC 19719239 Design, Synthesis, and X-ray Crystal Structure of Classical and Nonclassical 2-amino-4-oxo-5-substituted-6-thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agenst 2009-03-03 2009-09-22 Gangjee, A.,Li, W.,Kisliuk, R.L.,Cody, V.,Pace, J.,Piraino, J.,Makin, J. Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents J.Med.Chem. 2009 52 4892 4902 3GHV 19719239 Human dihydrofolate reductase Q35K/N64F double mutant inhibitor complex 2009-03-04 2009-09-22 Gangjee, A.,Li, W.,Kisliuk, R.L.,Cody, V.,Pace, J.,Piraino, J.,Makin, J. Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents J.Med.Chem. 2009 52 4892 4902 3IV7 Crystal structure of Iron-containing alcohol dehydrogenase (NP_602249.1) from Corynebacterium glutamicum ATCC 13032 KITASATO at 2.07 A resolution 2009-08-31 2009-09-22 Joint Center for Structural Genomics (JCSG) Crystal structure of Iron-containing alcohol dehydrogenase (NP_602249.1) from Corynebacterium glutamicum ATCC 13032 KITASATO at 2.07 A resolution To be published 0 0 0 0 3JSJ Crystal structure of a putative tetr-transcriptional regulator (sav143) from streptomyces avermitilis ma-4680 at 2.10 A resolution 2009-09-10 2009-09-22 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative transcriptional regulator (NP_821317.1) from Streptomyces avermitilis MA-4680 at 2.10 A resolution To be published 0 0 0 0 3JX9 Crystal structure of Putative phosphoheptose isomerase (YP_001815198.1) from Exiguobacterium sp. 255-15 at 1.95 A resolution 2009-09-18 2009-09-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative phosphoheptose isomerase (YP_001815198.1) from EXIGUOBACTERIUM SP. 255-15 at 1.95 A resolution To be published 0 0 0 0 3G98 19661429 Crystal Structure of the C-Ala domain from Aquifex aeolicus alanyl-tRNA synthetase 2009-02-13 2009-10-06 Guo, M.,Chong, Y.E.,Beebe, K.,Shapiro, R.,Yang, X.L.,Schimmel, P. The C-Ala domain brings together editing and aminoacylation functions on one tRNA. Science 2009 325 744 747 3JZD Crystal structure of Putative alcohol dehedrogenase (YP_298327.1) from RALSTONIA EUTROPHA JMP134 at 2.10 A resolution 2009-09-23 2009-10-06 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative alcohol dehedrogenase (YP_298327.1) from RALSTONIA EUTROPHA JMP134 at 2.10 A resolution To be published 0 0 0 0 3K0Y Crystal structure of Putative TOXIN related protein (YP_001303978.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution 2009-09-25 2009-10-06 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative TOXIN related protein (YP_001303978.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution To be published 0 0 0 0 3H8N 19858347 Crystal Structure Analysis of KIR2DS4 2009-04-29 2009-10-20 Graef, T.,Moesta, A.K.,Norman, P.J.,Abi-Rached, L.,Vago, L.,Older Aguilar, A.M.,Gleimer, M.,Hammond, J.A.,Guethlein, L.A.,Bushnell, D.A.,Robinson, P.J.,Parham, P. KIR2DS4 is a product of gene conversion with KIR3DL2 that introduced specificity for HLA-A*11 while diminishing avidity for HLA-C. J.Exp.Med. 2009 206 2557 2572 3IT8 19838188 Crystal structure of TNF alpha complexed with a poxvirus MHC-related TNF binding protein 2009-08-27 2009-10-20 Yang, Z.,West, A.P.,Bjorkman, P.J. Crystal structure of TNFalpha complexed with a poxvirus MHC-related TNF binding protein Nat.Struct.Mol.Biol. 2009 16 1189 1191 3JVF 19838198 Crystal structure of an Interleukin-17 receptor complex 2009-09-16 2009-10-20 Ely, L.K.,Fischer, S.,Garcia, K.C. Structural basis of receptor sharing by interleukin 17 cytokines. Nat.Immunol. 2009 10 1245 1251 3JVF 19838198 Crystal structure of an Interleukin-17 receptor complex 2009-09-16 2009-10-20 Ely, L.K.,Fischer, S.,Garcia, K.C. Structural basis of receptor sharing by interleukin 17 cytokines. Nat.Immunol. 2009 10 1245 1251 3IJ7 19803533 Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase 2009-08-03 2009-10-27 Zhang, R.,Li, C.,Williams, L.K.,Rempel, B.P.,Brayer, G.D.,Withers, S.G. Directed ""in situ"" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase Biochemistry 2009 48 10752 10764 3IJ8 19803533 Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase 2009-08-04 2009-10-27 Zhang, R.,Li, C.,Williams, L.K.,Rempel, B.P.,Brayer, G.D.,Withers, S.G. Directed ""in situ"" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase Biochemistry 2009 48 10752 10764 3IJ9 19803533 Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase 2009-08-04 2009-10-27 Zhang, R.,Li, C.,Williams, L.K.,Rempel, B.P.,Brayer, G.D.,Withers, S.G. Directed ""in situ"" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase Biochemistry 2009 48 10752 10764 3K6Q CRYSTAL STRUCTURE OF An antitoxin part of a putative toxin/antitoxin system (SWOL_0700) FROM SYNTROPHOMONAS WOLFEI SUBSP. WOLFEI AT 1.80 A RESOLUTION 2009-10-09 2009-10-27 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative ligand binding protein (YP_753395.1) from Syntrophomonas wolfei str. Goettingen at 1.80 A resolution To be published 0 0 0 0 3K8R Crystal structure of protein of unknown function (YP_427503.1) from Rhodospirillum rubrum ATCC 11170 at 2.75 A resolution 2009-10-14 2009-10-27 Joint Center for Structural Genomics (JCSG) Crystal structure of protein of unknown function (YP_427503.1) from Rhodospirillum rubrum ATCC 11170 at 2.75 A resolution To be published 0 0 0 0 3K1T Crystal structure of Putative gamma-glutamylcysteine synthetase (YP_546622.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.90 A resolution 2009-09-28 2009-11-03 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative gamma-glutamylcysteine synthetase (YP_546622.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.90 A resolution To be published 0 0 0 0 3K69 CRYSTAL STRUCTURE OF A PUTATIVE TRANSCRIPTIONAL REGULATOR (LP_0360) FROM LACTOBACILLUS PLANTARUM AT 1.95 A RESOLUTION 2009-10-08 2009-11-03 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative transcriptional regulator (NP_784167.1) from LACTOBACILLUS PLANTARUM at 1.95 A resolution To be published 0 0 0 0 3K7C Crystal structure of Putative NTF2-like transpeptidase (NP_281412.1) from CAMPYLOBACTER JEJUNI at 2.00 A resolution 2009-10-12 2009-11-03 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative NTF2-like transpeptidase (NP_281412.1) from CAMPYLOBACTER JEJUNI at 2.00 A resolution To be published 0 0 0 0 3K93 Crystal structure of phage related exonuclease (YP_719632.1) from HAEMOPHILUS SOMNUS 129PT at 2.15 A resolution 2009-10-15 2009-11-03 Joint Center for Structural Genomics (JCSG) Crystal structure of phage related exonuclease (YP_719632.1) from HAEMOPHILUS SOMNUS 129PT at 2.15 A resolution To be published 0 0 0 0 3KE2 CRYSTAL STRUCTURE OF a DUF2131 family protein (SAMA_2911) FROM SHEWANELLA AMAZONENSIS SB2B AT 2.50 A RESOLUTION 2009-10-23 2009-11-03 Joint Center for Structural Genomics (JCSG) Crystal structure of STRUCTURAL GENOMICS, UNKNOWN FUNCTION (YP_928783.1) from SHEWANELLA AMAZONENSIS SB2B at 2.50 A resolution To be published 0 0 0 0 3KE7 Crystal structure of putative ketosteroid isomerase (YP_001303366.1) from Parabacteroides distasonis ATCC 8503 at 1.45 A resolution 2009-10-24 2009-11-03 Joint Center for Structural Genomics (JCSG) Crystal structure of putative ketosteroid isomerase (YP_001303366.1) from Parabacteroides distasonis ATCC 8503 at 1.45 A resolution To be published 0 0 0 0 3GML 19732779 Structure of mouse CD1d in complex with C6Ph 2009-03-14 2009-11-10 Schiefner, A.,Fujio, M.,Wu, D.,Wong, C.H.,Wilson, I.A. Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol. 2009 394 71 82 3GMM 19732779 Structure of mouse CD1d in complex with C8Ph 2009-03-14 2009-11-10 Schiefner, A.,Fujio, M.,Wu, D.,Wong, C.H.,Wilson, I.A. Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol. 2009 394 71 82 3GMN 19732779 Structure of mouse CD1d in complex with C10Ph 2009-03-14 2009-11-10 Schiefner, A.,Fujio, M.,Wu, D.,Wong, C.H.,Wilson, I.A. Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol. 2009 394 71 82 3GMO 19732779 Structure of mouse CD1d in complex with C8PhF 2009-03-14 2009-11-10 Schiefner, A.,Fujio, M.,Wu, D.,Wong, C.H.,Wilson, I.A. Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol. 2009 394 71 82 3GMP 19732779 Structure of mouse CD1d in complex with PBS-25 2009-03-14 2009-11-10 Schiefner, A.,Fujio, M.,Wu, D.,Wong, C.H.,Wilson, I.A. Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol. 2009 394 71 82 3GMQ 19732779 Structure of mouse CD1d expressed in SF9 cells, no ligand added 2009-03-14 2009-11-10 Schiefner, A.,Fujio, M.,Wu, D.,Wong, C.H.,Wilson, I.A. Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol. 2009 394 71 82 3GMR 19732779 Structure of mouse CD1d in complex with C8Ph, different space group 2009-03-14 2009-11-10 Schiefner, A.,Fujio, M.,Wu, D.,Wong, C.H.,Wilson, I.A. Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol. 2009 394 71 82 3JQH 19835887 Structure of the neck region of the glycan-binding receptor DC-SIGNR 2009-09-06 2009-11-10 Feinberg, H.,Tso, C.K.,Taylor, M.E.,Drickamer, K.,Weis, W.I. Segmented helical structure of the neck region of the glycan-binding receptor DC-SIGNR. J.Mol.Biol. 2009 394 613 620 3JX8 Crystal structure of Putative lipid binding protein (YP_001304415.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution 2009-09-18 2009-11-10 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative lipid binding protein (YP_001304415.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution To be published 0 0 0 0 3JX8 Crystal structure of Putative lipid binding protein (YP_001304415.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution 2009-09-18 2009-11-10 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative lipid binding protein (YP_001304415.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution To be published 0 0 0 0 3IFL 19923222 X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12A11) complex 2009-07-24 2009-11-17 Basi, G.S.,Feinberg, H.,Oshidari, F.,Anderson, J.,Barbour, R.,Baker, J.,Comery, T.A.,Diep, L.,Gill, D.,Johnson-Wood, K.,Goel, A.,Grantcharova, K.,Lee, M.,Li, J.,Partridge, A.,Griswold-Prenner, I.,Piot, N.,Walker, D.,Widom, A.,Pangalos, M.N.,Seubert, P.,Jacobsen, J.S.,Schenk, D.,Weis, W.I. Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease. J.Biol.Chem. 2010 285 3417 3427 3IFO 19923222 X-ray structure of amyloid beta peptide:antibody (Abeta1-7:10D5) complex 2009-07-24 2009-11-17 Basi, G.S.,Feinberg, H.,Oshidari, F.,Anderson, J.,Barbour, R.,Baker, J.,Comery, T.A.,Diep, L.,Gill, D.,Johnson-Wood, K.,Goel, A.,Grantcharova, K.,Lee, M.,Li, J.,Partridge, A.,Griswold-Prenner, I.,Piot, N.,Walker, D.,Widom, A.,Pangalos, M.N.,Seubert, P.,Jacobsen, J.S.,Schenk, D.,Weis, W.I. Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease. J.Biol.Chem. 2010 285 3417 3427 3IFP 19923222 X-ray structure of amyloid beta peptide:antibody (Abeta1-7:12B4) complex 2009-07-24 2009-11-17 Basi, G.S.,Feinberg, H.,Oshidari, F.,Anderson, J.,Barbour, R.,Baker, J.,Comery, T.A.,Diep, L.,Gill, D.,Johnson-Wood, K.,Goel, A.,Grantcharova, K.,Lee, M.,Li, J.,Partridge, A.,Griswold-Prenner, I.,Piot, N.,Walker, D.,Widom, A.,Pangalos, M.N.,Seubert, P.,Jacobsen, J.S.,Schenk, D.,Weis, W.I. Structural correlates of antibodies associated with acute reversal of amyloid beta-related behavioral deficits in a mouse model of Alzheimer disease. J.Biol.Chem. 2010 285 3417 3427 3KIZ Crystal structure of Putative phosphoribosylformylglycinamidine cyclo-ligase (YP_676759.1) from CYTOPHAGA HUTCHINSONII ATCC 33406 at 1.50 A resolution 2009-11-02 2009-11-17 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative phosphoribosylformylglycinamidine cyclo-ligase (YP_676759.1) from CYTOPHAGA HUTCHINSONII ATCC 33406 at 1.50 A resolution To be published 0 0 0 0 3KD4 CRYSTAL STRUCTURE OF A PUTATIVE PROTEASE (BDI_1141) FROM PARABACTEROIDES DISTASONIS ATCC 8503 AT 2.00 A RESOLUTION 2009-10-22 2009-11-24 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative proteases (YP_001302526.1) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution To be published 0 0 0 0 3KDW Crystal structure of Putative sugar binding protein (YP_001300177.1) from Bacteroides vulgatus ATCC 8482 at 1.70 A resolution 2009-10-23 2009-11-24 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative sugar binding protein (YP_001300177.1) from Bacteroides vulgatus ATCC 8482 at 1.70 A resolution To be published 0 0 0 0 3KGY Crystal structure of Putative dihydrofolate reductase (YP_001636057.1) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.50 A resolution 2009-10-29 2009-11-24 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative dihydrofolate reductase (YP_001636057.1) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.50 A resolution To be published 0 0 0 0 3KOP Crystal structure of Protein with a cyclophilin-like fold (YP_831253.1) from Arthrobacter sp. FB24 at 1.90 A resolution 2009-11-13 2009-11-24 Joint Center for Structural Genomics (JCSG) Crystal structure of Protein with a cyclophilin-like fold (YP_831253.1) from Arthrobacter sp. FB24 at 1.90 A resolution To be published 0 0 0 0 3GYI 19923719 Cholesterol oxidase from Streptomyces sp. N485D mutant (1.0A) 2009-04-03 2009-12-01 Lyubimov, A.Y.,Chen, L.,Sampson, N.S.,Vrielink, A. A hydrogen-bonding network is important for oxidation and isomerization in the reaction catalyzed by cholesterol oxidase. Acta Crystallogr.,Sect.D 2009 65 1222 1231 3K84 19924997 Crystal Structure Analysis of a Oleyl/Oxadiazole/pyridine Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase 2009-10-13 2009-12-01 Mileni, M.,Garfunkle, J.,Ezzili, C.,Kimball, F.S.,Cravatt, B.F.,Stevens, R.C.,Boger, D.L. X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase. J.Med.Chem. 2010 53 230 240 3KNY Crystal structure of a two domain protein with unknown function (bt_3535) from bacteroides thetaiotaomicron vpi-5482 at 2.60 A resolution 2009-11-12 2009-12-01 Joint Center for Structural Genomics (JCSG) Crystal structure of hypothetical protein BT_3535 (NP_812447.1) from BACTERIODES THETAIOTAOMICRON VPI-5482 at 2.60 A resolution To be published 0 0 0 0 3KOG Crystal structure of Putative pore-forming toxin (YP_001301288.1) from Bacteroides vulgatus ATCC 8482 at 1.85 A resolution 2009-11-13 2009-12-01 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative pore-forming toxin (YP_001301288.1) from Bacteroides vulgatus ATCC 8482 at 1.85 A resolution To be published 0 0 0 0 3G08 19949076 Crystal structure of the alpha-galactosylceramide analog OCH in complex with mouse CD1d 2009-01-27 2009-12-08 Sullivan, B.A.,Nagarajan, N.A.,Wingender, G.,Wang, J.,Scott, I.,Tsuji, M.,Franck, R.W.,Porcelli, S.A.,Zajonc, D.M.,Kronenberg, M. Mechanisms for glycolipid antigen-driven cytokine polarization by Valpha14i NKT cells. J.Immunol. 2010 184 141 153 3HDI 19913481 Crystal structure of Bacillus halodurans metallo peptidase 2009-05-07 2009-12-08 Aleshin, A.E.,Gramatikova, S.,Hura, G.L.,Bobkov, A.,Strongin, A.Y.,Stec, B.,Tainer, J.A.,Liddington, R.C.,Smith, J.W. Crystal and solution structures of a prokaryotic M16B peptidase: an open and shut case. Structure 2009 17 1465 1475 3KS5 Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (17743486) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 2.05 A resolution 2009-11-20 2009-12-08 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (17743486) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 2.05 A resolution To be published 0 0 0 0 3KS6 Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (17743486) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 1.80 A resolution 2009-11-20 2009-12-08 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (17743486) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 1.80 A resolution To be published 0 0 0 0 3HXY 20010690 Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AMPPCP, Ala-AMP and PCP 2009-06-22 2009-12-15 Guo, M.,Chong, Y.E.,Shapiro, R.,Beebe, K.,Yang, X.L.,Schimmel, P. Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma. Nature 2009 462 808 812 3KS7 Crystal structure of Putative Peptide:N-glycosidase F (PNGase F) (YP_210507.1) from Bacteroides fragilis NCTC 9343 at 2.30 A resolution 2009-11-20 2009-12-15 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative Peptide:N-glycosidase F (PNGase F) (YP_210507.1) from Bacteroides fragilis NCTC 9343 at 2.30 A resolution To be published 0 0 0 0 3KSR CRYSTAL STRUCTURE OF A PUTATIVE SERINE HYDROLASE (XCC3885) FROM XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS AT 2.69 A RESOLUTION 2009-11-23 2009-12-22 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative serine hydrolase (NP_639225.1) from XANTHOMONAS CAMPESTRIS at 2.69 A resolution To be Published 0 0 0 0 3KTC Crystal structure of Putative sugar isomerase (YP_050048.1) from ERWINIA CAROTOVORA ATROSEPTICA SCRI1043 at 1.54 A resolution 2009-11-24 2009-12-22 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative sugar isomerase (YP_050048.1) from ERWINIA CAROTOVORA ATROSEPTICA SCRI1043 at 1.54 A resolution To be published 0 0 0 0 3KWS Crystal structure of Putative sugar isomerase (YP_001305149.1) from Parabacteroides distasonis ATCC 8503 at 1.68 A resolution 2009-12-01 2009-12-22 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative sugar isomerase (YP_001305149.1) from Parabacteroides distasonis ATCC 8503 at 1.68 A resolution To be published 0 0 0 0 3KY8 Crystal structure of Putative riboflavin biosynthesis protein (YP_001092907.1) from SHEWANELLA SP. PV-4 at 2.12 A resolution 2009-12-04 2009-12-22 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative riboflavin biosynthesis protein (YP_001092907.1) from SHEWANELLA SP. PV-4 at 2.12 A resolution To be published 0 0 0 0 3KSP Crystal structure of a putative ca/calmodulin-dependent kinase ii association domain (exig_1688) from exiguobacterium sibiricum 255-15 at 2.59 A resolution 2009-11-23 2009-12-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Calcium/calmodulin-dependent kinase II association domain (YP_001814158.1) from EXIGUOBACTERIUM SP. 255-15 at 2.59 A resolution To be published 0 0 0 0 3L12 Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (YP_165505.1) from Silicibacter pomeroyi DSS-3 at 1.60 A resolution 2009-12-10 2009-12-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (YP_165505.1) from Silicibacter pomeroyi DSS-3 at 1.60 A resolution To be published 0 0 0 0 3L2H Crystal structure of Putative sugar phosphate isomerase (AFE_0303) from Acidithiobacillus ferrooxidans ATCC 23270 at 1.85 A resolution 2009-12-15 2009-12-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative sugar phosphate isomerase (AFE_0303) from Acidithiobacillus ferrooxidans ATCC 23270 at 1.85 A resolution To be published 0 0 0 0 3L2N Crystal structure of Putative carboxypeptidase A (YP_562911.1) from SHEWANELLA DENITRIFICANS OS-217 at 2.39 A resolution 2009-12-15 2009-12-29 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative carboxypeptidase A (YP_562911.1) from SHEWANELLA DENITRIFICANS OS-217 at 2.39 A resolution To be published 0 0 0 0 3IMS 20043671 Transthyretin in complex with 2,6-dibromo-4-(2,6-dichlorophenethyl)phenol 2009-08-11 2010-01-12 Choi, S.,Reixach, N.,Connelly, S.,Johnson, S.M.,Wilson, I.A.,Kelly, J.W. A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc. 2010 132 1359 1370 3IMU 20043671 Transthyretin in complex with (E)-4-(3-aminostyryl)-2,6-dibromoaniline 2009-08-11 2010-01-12 Choi, S.,Reixach, N.,Connelly, S.,Johnson, S.M.,Wilson, I.A.,Kelly, J.W. A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc. 2010 132 1359 1370 3IMV 20043671 Transthyretin in complex with (E)-4-(4-aminostyryl)-2,6-dibromoaniline 2009-08-11 2010-01-12 Choi, S.,Reixach, N.,Connelly, S.,Johnson, S.M.,Wilson, I.A.,Kelly, J.W. A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc. 2010 132 1359 1370 3IMW 20043671 Transthyretin in complex with (E)-2,6-dibromo-4-(2,6-dimethoxystyryl)aniline 2009-08-11 2010-01-12 Choi, S.,Reixach, N.,Connelly, S.,Johnson, S.M.,Wilson, I.A.,Kelly, J.W. A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc. 2010 132 1359 1370 3KS8 20018665 Crystal structure of Reston ebolavirus VP35 RNA binding domain in complex with 18bp dsRNA 2009-11-20 2010-01-12 Kimberlin, C.R.,Bornholdt, Z.A.,Li, S.,Woods, V.L.,Macrae, I.J.,Saphire, E.O. Ebolavirus VP35 uses a bimodal strategy to bind dsRNA for innate immune suppression. Proc.Natl.Acad.Sci.USA 2009 107 314 319 3IBD 20061448 Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole 2009-07-15 2010-01-19 Gay, S.C.,Shah, M.B.,Talakad, J.C.,Maekawa, K.,Roberts, A.G.,Wilderman, P.R.,Sun, L.,Yang, J.Y.,Huelga, S.C.,Hong, W.X.,Zhang, Q.,Stout, C.D.,Halpert, J.R. Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution. Mol.Pharmacol. 2010 77 529 538 3KU3 20007271 Crystal structure of a H2N2 influenza virus hemagglutinin, avian like 2009-11-26 2010-01-19 Xu, R.,McBride, R.,Paulson, J.C.,Basler, C.F.,Wilson, I.A. Structure, receptor binding, and antigenicity of influenza virus hemagglutinins from the 1957 H2N2 pandemic. J.Virol. 2010 84 1715 1721 3K5J 20836087 Crystal structure of Putative SUFU (suppressor of fused protein) homolog (YP_208451.1) from Neisseria gonorrhoeae FA 1090 at 1.40 A resolution 2009-10-07 2010-01-26 Das, D.,Finn, R.D.,Abdubek, P.,Astakhova, T.,Axelrod, H.L.,Bakolitsa, C.,Cai, X.,Carlton, D.,Chen, C.,Chiu, H.J.,Chiu, M.,Clayton, T.,Deller, M.C.,Duan, L.,Ellrott, K.,Farr, C.L.,Feuerhelm, J.,Grant, J.C.,Grzechnik, A.,Han, G.W.,Jaroszewski, L.,Jin, K.K.,Klock, H.E.,Knuth, M.W.,Kozbial, P.,Krishna, S.S.,Kumar, A.,Lam, W.W.,Marciano, D.,Miller, M.D.,Morse, A.T.,Nigoghossian, E.,Nopakun, A.,Okach, L.,Puckett, C.,Reyes, R.,Tien, H.J.,Trame, C.B.,van den Bedem, H.,Weekes, D.,Wooten, T.,Xu, Q.,Yeh, A.,Zhou, J.,Hodgson, K.O.,Wooley, J.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. The crystal structure of a bacterial Sufu-like protein defines a novel group of bacterial proteins that are similar to the N-terminal domain of human Sufu. Protein Sci. 2010 19 2131 2140 3LD7 Crystal structure of the Lin0431 protein from Listeria innocua, Northeast Structural Genomics Consortium Target LkR112 2010-01-12 2010-01-26 Vorobiev, S.,Chen, Y.,Lee, D.,Patel, D.J.,Ciccosanti, C.,Sahdev, S.,Acton, T.B.,Xiao, R.,Everett, J.K.,Montelione, G.T.,Hunt, J.F.,Tong, L. Crystal structure of the Lin0431 protein from Listeria innocua To be Published 0 0 0 0 3H4H 20083495 Met94Thr/Phe312Cys variant of nitrite reductase from Alcaligenes faecalis 2009-04-20 2010-02-02 Macpherson, I.S.,Rosell, F.I.,Scofield, M.,Mauk, A.G.,Murphy, M.E. Directed evolution of copper nitrite reductase to a chromogenic reductant. Protein Eng.Des.Sel. 2010 23 137 145 3H56 20083495 Met150Leu/Phe312Cys variant of nitrite reductase from Alcaligenes faecalis 2009-04-21 2010-02-02 Macpherson, I.S.,Rosell, F.I.,Scofield, M.,Mauk, A.G.,Murphy, M.E. Directed evolution of copper nitrite reductase to a chromogenic reductant. Protein Eng.Des.Sel. 2010 23 137 145 3KTD CRYSTAL STRUCTURE OF A PUTATIVE PREPHENATE DEHYDROGENASE (CGL0226) FROM CORYNEBACTERIUM GLUTAMICUM ATCC 13032 AT 2.60 A RESOLUTION 2009-11-24 2010-02-02 Joint Center for Structural Genomics (JCSG) Crystal structure of Prephenate dehydrogenase (NP_599479.1) from CORYNEBACTERIUM GLUTAMICUM ATCC 13032 KITASATO at 2.60 A resolution To be published 0 0 0 0 3KZT Crystal structure of Protein of unknown function (NP_812423.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution 2009-12-08 2010-02-02 Joint Center for Structural Genomics (JCSG) Crystal structure of Protein of unknown function (NP_812423.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution To be published 0 0 0 0 3HEF 20133842 Crystal structure of the bacteriophage Sf6 terminase small subunit 2009-05-08 2010-02-09 Zhao, H.,Finch, C.J.,Sequeira, R.D.,Johnson, B.A.,Johnson, J.E.,Casjens, S.R.,Tang, L. Crystal structure of the DNA-recognition component of the bacterial virus Sf6 genome-packaging machine Proc.Natl.Acad.Sci.USA 2010 107 1971 1976 3K1A 20022118 Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant 2009-09-26 2010-02-16 Sarma, R.,Barney, B.M.,Keable, S.,Dean, D.R.,Seefeldt, L.C.,Peters, J.W. Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70(Ile) MoFe protein variant J.Inorg.Biochem. 2010 104 385 389 3L23 Crystal structure of Sugar phosphate isomerase/epimerase (YP_001303399.1) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution 2009-12-14 2010-02-16 Joint Center for Structural Genomics (JCSG) Crystal structure of Sugar phosphate isomerase/epimerase (YP_001303399.1) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution To be published 0 0 0 0 3LM3 Crystal structure of a putative glycoside hydrolase/deacetylase (bdi_3119) from parabacteroides distasonis at 1.44 A resolution 2010-01-29 2010-02-16 Joint Center for Structural Genomics (JCSG) Crystal structure of PROTEIN OF UNKNOWN FUNCTION (YP_001304447.1) from Parabacteroides distasonis ATCC 8503 at 1.44 A resolution To be published 0 0 0 0 3LMC Crystal Structure of zinc-dependent peptidase from Methanocorpusculum labreanum (strain Z), Northeast Structural Genomics Consortium Target MuR16 2010-01-29 2010-02-16 Kuzin, A.,Ashok, S.,Vorobiev, S.,Seetharaman, J.,Patel, P.,Xiao, R.,Ciccosanti, C.,Lee, D.,Everett, J.K.,Nair, R.,Acton, T.B.,Rost, B.,Montelione, G.T.,Tong, L.,Hunt, J.F. Northeast Structural Genomics Consortium Target MuR16 To be published 0 0 0 0 3KF0 20659109 HIV Protease with fragment 4D9 bound 2009-10-27 2010-02-23 Perryman, A.L.,Zhang, Q.,Soutter, H.H.,Rosenfeld, R.,McRee, D.E.,Olson, A.J.,Elder, J.E.,David Stout, C. Fragment-based screen against HIV protease. Chem.Biol.Drug Des. 2010 75 257 268 3KQG 20181944 Trimeric Structure of Langerin 2009-11-17 2010-02-23 Feinberg, H.,Powlesland, A.S.,Taylor, M.E.,Weis, W.I. Trimeric structure of langerin. J.Biol.Chem. 2010 285 13285 13293 3LHN Crystal structure of putative lipoprotein (NP_718719.1) from Shewanella oneidensis at 1.42 A resolution 2010-01-22 2010-02-23 Joint Center for Structural Genomics (JCSG) Crystal structure of putative lipoprotein (NP_718719.1) from Shewanella oneidensis at 1.42 A resolution To be published 0 0 0 0 3LOV Crystal structure of Putative protoporphyrinogen oxidase (YP_001813199.1) from Exiguobacterium sp. 255-15 at 2.06 A resolution 2010-02-04 2010-02-23 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative protoporphyrinogen oxidase (YP_001813199.1) from Exiguobacterium sp. 255-15 at 2.06 A resolution To be published 0 0 0 0 3L6P 20042502 Crystal Structure of Dengue Virus 1 NS2B/NS3 protease 2009-12-23 2010-03-02 Chandramouli, S.,Joseph, J.S.,Daudenarde, S.,Gatchalian, J.,Cornillez-Ty, C.,Kuhn, P. Serotype-specific structural differences in the protease-cofactor complexes of the dengue virus family. J.Virol. 2010 84 3059 3067 3LJY Crystal structure of putative adhesin (YP_001304413.1) from Parabacteroides distasonis ATCC 8503 at 2.41 A resolution 2010-01-26 2010-03-02 Joint Center for Structural Genomics (JCSG) Crystal structure of putative adhesin (YP_001304413.1) from Parabacteroides distasonis ATCC 8503 at 2.41 A resolution To be published 0 0 0 0 3LSQ Trypanosoma brucei seryl-tRNA synthetase 2010-02-12 2010-03-02 Larson, E.T.,Zhang, L.,Napuli, A.,Mueller, N.,Verlinde, C.L.M.J.,Van Voorhis, W.C.,Buckner, F.S.,Fan, E.,Hol, W.G.J.,Merritt, E.A. X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei. to be published 0 0 0 0 3LSS Trypanosoma brucei seryl-tRNA synthetase in complex with ATP 2010-02-12 2010-03-02 Larson, E.T.,Zhang, L.,Napuli, A.,Mueller, N.,Verlinde, C.L.M.J.,Van Voorhis, W.C.,Buckner, F.S.,Fan, E.,Hol, W.G.J.,Merritt, E.A. X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei. to be published 0 0 0 0 3K6T 20223220 Crystal structure of the GLD-1 homodimerization domain from Caenorhabditis elegans at 2.04 A resolution 2009-10-09 2010-03-09 Beuck, C.,Szymczyna, B.R.,Kerkow, D.E.,Carmel, A.B.,Columbus, L.,Stanfield, R.L.,Williamson, J.R. Structure of the GLD-1 homodimerization domain: insights into STAR protein-mediated translational regulation. Structure 2010 18 377 389 3K6T 20223220 Crystal structure of the GLD-1 homodimerization domain from Caenorhabditis elegans at 2.04 A resolution 2009-10-09 2010-03-09 Beuck, C.,Szymczyna, B.R.,Kerkow, D.E.,Carmel, A.B.,Columbus, L.,Stanfield, R.L.,Williamson, J.R. Structure of the GLD-1 homodimerization domain: insights into STAR protein-mediated translational regulation. Structure 2010 18 377 389 3KBL 20223220 Crystal structure of the GLD-1 homodimerization domain from Caenorhabditis elegans N169A mutant at 2.28 A resolution 2009-10-20 2010-03-09 Beuck, C.,Szymczyna, B.R.,Kerkow, D.E.,Carmel, A.B.,Columbus, L.,Stanfield, R.L.,Williamson, J.R. Structure of the GLD-1 homodimerization domain: insights into STAR protein-mediated translational regulation. Structure 2010 18 377 389 3LYC Crystal structure of Putative pectinase (YP_001304412.1) from Parabacteroides distasonis ATCC 8503 at 2.30 A resolution 2010-02-26 2010-03-16 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative pectinase (YP_001304412.1) from Parabacteroides distasonis ATCC 8503 at 2.30 A resolution To be published 0 0 0 0 3M4Q Entamoeba histolytica asparaginyl-tRNA synthetase (AsnRS) 2010-03-11 2010-03-23 Larson, E.T.,Kim, J.E.,Zhang, L.,Napuli, A.,Kelley, A.,Castaneda, L.,Verlinde, C.L.M.J.,Van Voorhis, W.C.,Buckner, F.S.,Fan, E.,Hol, W.G.J.,Merritt, E.A. X-ray crystal structure of asparaginyl-tRNA synthetase from the eukaryotic human pathogen Entamoeba histolytica. to be published 0 0 0 0 3LWS Crystal structure of Putative aromatic amino acid beta-eliminating lyase/threonine aldolase. (YP_001813866.1) from Exiguobacterium sp. 255-15 at 2.00 A resolution 2010-02-24 2010-03-31 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative aromatic amino acid beta-eliminating lyase/threonine aldolase. (YP_001813866.1) from Exiguobacterium sp. 255-15 at 2.00 A resolution To be published 0 0 0 0 3A2S 20351243 Crystal Structure of outer membrane protein PorB from Neisseria meningitidis in complex with sucrose 2009-06-04 2010-04-07 Tanabe, M.,Nimigean, C.M.,Iverson, T.M. Structural basis for solute transport, nucleotide regulation, and immunological recognition of Neisseria meningitidis PorB. Proc.Natl.Acad.Sci.USA 2010 107 6811 6816 3LWD Crystal structure of Putative 6-phosphogluconolactonase (YP_574786.1) from Chromohalobacter salexigens DSM 3043 at 1.88 A resolution 2010-02-23 2010-04-07 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative 6-phosphogluconolactonase (YP_574786.1) from Chromohalobacter salexigens DSM 3043 at 1.88 A resolution To be published 0 0 0 0 3LYG Crystal structure of NTF2-like protein of unknown function (YP_270605.1) from Colwellia psychrerythraea 34H at 1.61 A resolution 2010-02-26 2010-04-14 Joint Center for Structural Genomics (JCSG) Crystal structure of NTF2-like protein of unknown function (YP_270605.1) from Colwellia psychrerythraea 34H at 1.61 A resolution To be published 0 0 0 0 3L63 20297780 Crystal structure of camphor-bound P450cam at low [K+] 2009-12-22 2010-04-21 Lee, Y.T.,Wilson, R.F.,Rupniewski, I.,Goodin, D.B. P450cam visits an open conformation in the absence of substrate. Biochemistry 2010 49 3412 3419 3M7A Crystal structure of Saro_0823 (YP_496102.1) a protein of unknown function from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.22 A resolution 2010-03-16 2010-04-21 Joint Center for Structural Genomics (JCSG) Crystal structure of Saro_0823 (YP_496102.1) a protein of unknown function from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.22 A resolution To be Published 0 0 0 0 3MI6 Crystal structure of the alpha-galactosidase from Lactobacillus brevis, Northeast Structural Genomics Consortium Target LbR11. 2010-04-09 2010-04-28 Vorobiev, S.,Chen, Y.,Seetharaman, J.,Belote, R.,Sahdev, S.,Xiao, R.,Acton, T.B.,Everett, J.K.,Montelione, G.T.,Hunt, J.F.,Tong, L. Crystal structure of the alpha-galactosidase from Lactobacillus brevis. To be Published 0 0 0 0 3HIY 20403364 Minor Editosome-Associated TUTase 1 with bound UTP and Mg 2009-05-20 2010-05-12 Stagno, J.,Aphasizheva, I.,Bruystens, J.,Luecke, H.,Aphasizhev, R. Structure of the Mitochondrial Editosome-Like Complex Associated TUTase 1 Reveals Divergent Mechanisms of UTP Selection and Domain Organization. J.Mol.Biol. 2010 399 464 475 3HJ1 20403364 Minor Editosome-Associated TUTase 1 with bound UTP 2009-05-20 2010-05-12 Stagno, J.,Aphasizheva, I.,Bruystens, J.,Luecke, H.,Aphasizhev, R. Structure of the Mitochondrial Editosome-Like Complex Associated TUTase 1 Reveals Divergent Mechanisms of UTP Selection and Domain Organization. J.Mol.Biol. 2010 399 464 475 3HJ4 20403364 Minor Editosome-Associated TUTase 1 2009-05-20 2010-05-12 Stagno, J.,Aphasizheva, I.,Bruystens, J.,Luecke, H.,Aphasizhev, R. Structure of the Mitochondrial Editosome-Like Complex Associated TUTase 1 Reveals Divergent Mechanisms of UTP Selection and Domain Organization. J.Mol.Biol. 2010 399 464 475 3L6J 20463019 Structure of cinaciguat (bay 58-2667) bound to nostoc H-NOX domain 2009-12-23 2010-05-12 Martin, F.,Baskaran, P.,Ma, X.,Dunten, P.W.,Schaefer, M.,Stasch, J.P.,Beuve, A.,van den Akker, F. Structure of cinaciguat (BAY 58-2667) bound to Nostoc H-NOX domain reveals insights into heme-mimetic activation of the soluble guanylyl cyclase. J.Biol.Chem. 2010 285 22651 22657 3LWF Crystal structure of Putative transcriptional regulator (NP_470886.1) from LISTERIA INNOCUA at 2.06 A resolution 2010-02-23 2010-05-12 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative transcriptional regulator (NP_470886.1) from LISTERIA INNOCUA at 2.06 A resolution To be published 0 0 0 0 3M3Y 20448203 RNA polymerase II elongation complex C 2010-03-10 2010-05-12 Wang, D.,Zhu, G.,Huang, X.,Lippard, S.J. X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct. Proc.Natl.Acad.Sci.USA 2010 107 9584 9589 3M4O 20448203 RNA polymerase II elongation complex B 2010-03-11 2010-05-12 Wang, D.,Zhu, G.,Huang, X.,Lippard, S.J. X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct. Proc.Natl.Acad.Sci.USA 2010 107 9584 9589 3MBJ Crystal structure of a putative phosphomethylpyrimidine kinase (BT_4458) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution (rhombohedral form) 2010-03-25 2010-05-12 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative phosphomethylpyrimidine kinase (BT_4458) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution (rhombohedral form) To be Published 0 0 0 0 3MCR Crystal structure of NADH dehydrogenase subunit C (Tfu_2693) from THERMOBIFIDA FUSCA YX-ER1 at 2.65 A resolution 2010-03-29 2010-05-12 Joint Center for Structural Genomics (JCSG) Crystal structure of NADH dehydrogenase subunit C (Tfu_2693) from THERMOBIFIDA FUSCA YX-ER1 at 2.65 A resolution To be published 0 0 0 0 3MC3 Crystal structure of DsrE/DsrF-like family protein (NP_342589.1) from SULFOLOBUS SOLFATARICUS at 1.49 A resolution 2010-03-26 2010-05-19 Joint Center for Structural Genomics (JCSG) Crystal structure of DsrE/DsrF-like family protein (NP_342589.1) from SULFOLOBUS SOLFATARICUS at 1.49 A resolution To be published 0 0 0 0 3MCS Crystal structure of Putative monooxygenase (FN1347) from FUSOBACTERIUM NUCLEATUM SUBSP. NUCLEATUM ATCC 25586 at 2.55 A resolution 2010-03-29 2010-05-19 Joint Center for Structural Genomics (JCSG) Crystal structure of Putative monooxygenase (FN1347) from FUSOBACTERIUM NUCLEATUM SUBSP. NUCLEATUM ATCC 25586 at 2.55 A resolution To be published 0 0 0 0 3MCX Crystal structure of SusD superfamily protein (BT_2365) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.49 A resolution 2010-03-29 2010-05-19 Joint Center for Structural Genomics (JCSG) Crystal structure of SusD superfamily protein (BT_2365) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.49 A resolution To be Published 0 0 0 0 3MVU Crystal structure of a TenA family transcription regulator (TM1040_3656) from SILICIBACTER SP. TM1040 at 1.80 A resolution 2010-05-04 2010-05-26 Joint Center for Structural Genomics (JCSG) Crystal structure of a TenA family transcription regulator (TM1040_3656) from SILICIBACTER SP. TM1040 at 1.80 A resolution To be published 0 0 0 0 3LL5 20402538 Crystal structure of T. acidophilum isopentenyl phosphate kinase product complex 2010-01-28 2010-06-02 Mabanglo, M.F.,Schubert, H.L.,Chen, M.,Hill, C.P.,Poulter, C.D. X-ray structures of isopentenyl phosphate kinase. Acs Chem.Biol. 2010 5 517 527 3MOE 20476774 The structure of rat cytosolic PEPCK mutant A467G in complex with Beta-Sulfopyruvate and GTP 2010-04-22 2010-06-02 Johnson, T.A.,Holyoak, T. Increasing the conformational entropy of the Omega-loop lid domain in phosphoenolpyruvate carboxykinase impairs catalysis and decreases catalytic fidelity . Biochemistry 2010 49 5176 5187 3MOF 20476774 The structure of rat cytosolic PEPCK mutant A467G in complex with oxalate and GTP 2010-04-22 2010-06-02 Johnson, T.A.,Holyoak, T. Increasing the conformational entropy of the Omega-loop lid domain in phosphoenolpyruvate carboxykinase impairs catalysis and decreases catalytic fidelity . Biochemistry 2010 49 5176 5187 3MSW 31306512 Crystal structure of a Protein with unknown function (BF3112) from Bacteroides fragilis NCTC 9343 at 1.90 A resolution 2010-04-29 2010-06-09 Xu, Q.,Biancalana, M.,Grant, J.C.,Chiu, H.J.,Jaroszewski, L.,Knuth, M.W.,Lesley, S.A.,Godzik, A.,Elsliger, M.A.,Deacon, A.M.,Wilson, I.A. Structures of single-layer beta-sheet proteins evolved from beta-hairpin repeats. Protein Sci. 2019 28 1676 1689 3MTX 20534476 Crystal structure of chicken MD-1 2010-05-01 2010-06-09 Yoon, S.I.,Hong, M.,Han, G.W.,Wilson, I.A. Crystal structure of soluble MD-1 and its interaction with lipid IVa. Proc.Natl.Acad.Sci.USA 2010 107 10990 10995 3MYX Crystal structure of a PSPTO_0244 (Protein with unknown function which belongs to Pfam DUF861 family) from Pseudomonas syringae pv. tomato str. DC3000 at 1.30 A resolution 2010-05-11 2010-06-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a PSPTO_0244 (Protein with unknown function which belongs to Pfam DUF861 family) from Pseudomonas syringae pv. tomato str. DC3000 at 1.30 A resolution To be published 0 0 0 0 3N0Q Crystal structure of a Putative aromatic-ring hydroxylating dioxygenase (TM1040_3219) from SILICIBACTER SP. TM1040 at 1.80 A resolution 2010-05-14 2010-06-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative aromatic-ring hydroxylating dioxygenase (TM1040_3219) from SILICIBACTER SP. TM1040 at 1.80 A resolution To be published 0 0 0 0 3HRV 20545841 Crystal structure of TcpA, a Type IV pilin from Vibrio cholerae El Tor biotype 2009-06-09 2010-06-16 Lim, M.S.,Ng, D.,Zong, Z.,Arvai, A.S.,Taylor, R.K.,Tainer, J.A.,Craig, L. Vibrio cholerae El Tor TcpA crystal structure and mechanism for pilus-mediated microcolony formation. Mol.Microbiol. 2010 77 755 770 3MUH 20534513 Crystal structure of PG9 light chain 2010-05-03 2010-06-16 Pejchal, R.,Walker, L.M.,Stanfield, R.L.,Phogat, S.K.,Koff, W.C.,Poignard, P.,Burton, D.R.,Wilson, I.A. Structure and function of broadly reactive antibody PG16 reveal an H3 subdomain that mediates potent neutralization of HIV-1. Proc.Natl.Acad.Sci.USA 2010 107 11483 11488 3N0V Crystal structure of a formyltetrahydrofolate deformylase (PP_0327) from PSEUDOMONAS PUTIDA KT2440 at 2.25 A resolution 2010-05-14 2010-06-16 Joint Center for Structural Genomics (JCSG) Crystal structure of a formyltetrahydrofolate deformylase (PP_0327) from PSEUDOMONAS PUTIDA KT2440 at 2.25 A resolution To be published 0 0 0 0 3IK7 20085333 Human glutathione transferase a4-4 with GSDHN 2009-08-05 2010-06-23 Balogh, L.M.,Le Trong, I.,Kripps, K.A.,Shireman, L.M.,Stenkamp, R.E.,Zhang, W.,Mannervik, B.,Atkins, W.M. Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal. Biochemistry 2010 49 1541 1548 3IK9 20085333 Human GST A1-1-GIMF with GSDHN 2009-08-05 2010-06-23 Balogh, L.M.,Le Trong, I.,Kripps, K.A.,Shireman, L.M.,Stenkamp, R.E.,Zhang, W.,Mannervik, B.,Atkins, W.M. Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal. Biochemistry 2010 49 1541 1548 3MCW Crystal structure of an a putative hydrolase of the isochorismatase family (CV_1320) from Chromobacterium violaceum ATCC 12472 at 1.06 A resolution 2010-03-29 2010-06-23 Joint Center for Structural Genomics (JCSG) Crystal structure of an a putative hydrolase of the isochorismatase family (CV_1320) from Chromobacterium violaceum ATCC 12472 at 1.06 A resolution To be published 0 0 0 0 3NIX Crystal structure of flavoprotein/dehydrogenase from Cytophaga hutchinsonii. Northeast Structural Genomics Consortium Target ChR43. 2010-06-16 2010-06-30 Vorobiev, S.,Su, M.,Seetharaman, J.,Sahdev, S.,Xiao, R.,Foote, E.L.,Ciccosanti, C.,Maglaqui, M.,Everett, J.K.,Nair, R.,Acton, T.B.,Rost, B.,Montelione, G.T.,Hunt, J.F.,Tong, L. Crystal structure of flavoprotein/dehydrogenase from Cytophaga hutchinsonii. To be Published 0 0 0 0 3MZ2 Crystal structure of a Glycerophosphoryl diester phosphodiesterase (BDI_3922) from Parabacteroides distasonis ATCC 8503 at 1.55 A resolution 2010-05-11 2010-07-07 Joint Center for Structural Genomics (JCSG) Crystal structure of a Glycerophosphoryl diester phosphodiesterase (BDI_3922) from Parabacteroides distasonis ATCC 8503 at 1.55 A resolution To be published 0 0 0 0 3N0X Crystal structure of an ABC-type branched-chain amino acid transporter (RPA4397) from Rhodopseudomonas palustris CGA009 at 1.50 A resolution 2010-05-14 2010-07-14 Joint Center for Structural Genomics (JCSG) Crystal structure of an ABC-type branched-chain amino acid transporter (RPA4397) from Rhodopseudomonas palustris CGA009 at 1.50 A resolution To be published 0 0 0 0 3N6Z Crystal structure of a putative immunoglobulin A1 protease (BACOVA_03286) from Bacteroides ovatus at 1.30 A resolution 2010-05-26 2010-07-21 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative immunoglobulin A1 protease (BACOVA_03286) from Bacteroides ovatus at 1.30 A resolution To be published 0 0 0 0 3NF3 20614028 Crystal structure of BoNT/A LC with JTH-NB-7239 peptide 2010-06-09 2010-07-21 Zuniga, J.E.,Hammill, J.T.,Drory, O.,Nuss, J.E.,Burnett, J.C.,Gussio, R.,Wipf, P.,Bavari, S.,Brunger, A.T. Iterative structure-based peptide-like inhibitor design against the botulinum neurotoxin serotype A. Plos One 2010 5 0 0 3MZW 20696930 HER2 extracelluar region with affinity matured 3-helix affibody ZHER2:342 2010-05-13 2010-07-28 Eigenbrot, C.,Ultsch, M.,Dubnovitsky, A.,Abrahmsen, L.,Hard, T. Structural basis for high-affinity HER2 receptor binding by an engineered protein. Proc.Natl.Acad.Sci.USA 2010 107 15039 15044 3N8U 21799754 Crystal structure of an imelysin peptidase (BACOVA_03801) from Bacteroides ovatus at 1.44 A resolution 2010-05-28 2010-07-28 Xu, Q.,Rawlings, N.D.,Farr, C.L.,Chiu, H.J.,Grant, J.C.,Jaroszewski, L.,Klock, H.E.,Knuth, M.W.,Miller, M.D.,Weekes, D.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Structural and sequence analysis of imelysin-like proteins implicated in bacterial iron uptake. Plos One 2011 6 0 0 3NO2 Crystal structure of a protein of unknown function (BACCAC_01654) from Bacteroides caccae at 1.35 A resolution 2010-06-24 2010-07-28 Joint Center for Structural Genomics (JCSG) Crystal structure of a protein of unknown function (BACCAC_01654) from Bacteroides caccae at 1.35 A resolution To be published 0 0 0 0 3NO6 Crystal structure of a putative thiaminase II (SE1693) from Staphylococcus epidermidis ATCC 12228 at 1.65 A resolution 2010-06-24 2010-07-28 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative thiaminase II (SE1693) from Staphylococcus epidermidis ATCC 12228 at 1.65 A resolution To be Published 0 0 0 0 3NPP Crystal structure of a Pfam DUF1093 family protein (BSU39620) from Bacillus subtilis at 2.15 A resolution 2010-06-28 2010-07-28 Joint Center for Structural Genomics (JCSG) Crystal structure of a Pfam DUF1093 family protein (BSU39620) from Bacillus subtilis at 2.15 A resolution To be published 0 0 0 0 3NQH Crystal structure of a glycosyl hydrolase (BT_2959) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.11 A resolution 2010-06-29 2010-07-28 Joint Center for Structural Genomics (JCSG) Crystal structure of a glycosyl hydrolase (BT_2959) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.11 A resolution To be published 0 0 0 0 3NRD Crystal structure of a histidine triad (HIT) protein (SMc02904) from SINORHIZOBIUM MELILOTI 1021 at 2.06 A resolution 2010-06-30 2010-07-28 Joint Center for Structural Genomics (JCSG) Crystal structure of a histidine triad (HIT) protein (SMc02904) from SINORHIZOBIUM MELILOTI 1021 at 2.06 A resolution To be published 0 0 0 0 3MSQ Crystal structure of a Putative ubiquinone biosynthesis protein (Npun02000094) from Nostoc punctiforme PCC 73102 at 2.85 A resolution 2010-04-29 2010-08-04 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative ubiquinone biosynthesis protein (Npun02000094) from Nostoc punctiforme PCC 73102 at 2.85 A resolution To be published 0 0 0 0 3NQK Crystal structure of a STRUCTURAL GENOMICS, UNKNOWN FUNCTION (BACOVA_03322) from Bacteroides ovatus at 2.61 A resolution 2010-06-29 2010-08-04 Joint Center for Structural Genomics (JCSG) Crystal structure of a STRUCTURAL GENOMICS, UNKNOWN FUNCTION (BACOVA_03322) from Bacteroides ovatus at 2.61 A resolution To be published 0 0 0 0 3NRA Crystal structure of an aspartate aminotransferase (YP_354942.1) from Rhodobacter sphaeroides 2.4.1 at 2.15 A resolution 2010-06-30 2010-08-04 Joint Center for Structural Genomics (JCSG) Crystal structure of an aspartate aminotransferase (YP_354942.1) from Rhodobacter sphaeroides 2.4.1 at 2.15 A resolution To be published 0 0 0 0 3O0L Crystal structure of a Pfam DUF1425 family member (Shew_1734) from Shewanella sp. pv-4 at 1.81 a resolution 2010-07-19 2010-08-04 Joint Center for Structural Genomics (JCSG) Crystal structure of a Pfam DUF1425 family member (Shew_1734) from Shewanella SP. PV-4 at 1.81 A resolution To be published 0 0 0 0 3NMB Crystal structure of a putative sugar hydrolase (BACOVA_03189) from Bacteroides ovatus at 2.40 A resolution 2010-06-22 2010-08-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative sugar hydrolase (BACOVA_03189) from Bacteroides ovatus at 2.40 A resolution To be published 0 0 0 0 3NPI Crystal structure of a TetR family regulatory protein (DIP1788) from CORYNEBACTERIUM DIPHTHERIAE at 2.96 A resolution 2010-06-28 2010-08-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a TetR family regulatory protein (DIP1788) from CORYNEBACTERIUM DIPHTHERIAE at 2.96 A resolution To be published 0 0 0 0 3NQN Crystal structure of a Protein with unknown function. (DR_2006) from DEINOCOCCUS RADIODURANS at 1.88 A resolution 2010-06-29 2010-08-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a Protein with unknown function. (DR_2006) from DEINOCOCCUS RADIODURANS at 1.88 A resolution To be published 0 0 0 0 3NO4 Crystal structure of a creatinine amidohydrolase (Npun_F1913) from Nostoc punctiforme PCC 73102 at 2.00 A resolution 2010-06-24 2010-08-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a creatinine amidohydrolase (Npun_F1913) from Nostoc punctiforme PCC 73102 at 2.00 A resolution To be published 0 0 0 0 3NO5 Crystal structure of a Pfam DUF849 domain containing protein (Reut_A1631) from Ralstonia eutropha JMP134 at 1.90 A resolution 2010-06-24 2010-08-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a Pfam DUF849 domain containing protein (Reut_A1631) from Ralstonia eutropha JMP134 at 1.90 A resolution To be published 0 0 0 0 3NOH Crystal structure of a putative peptide binding protein (RUMGNA_00914) from Ruminococcus gnavus ATCC 29149 at 1.60 A resolution 2010-06-25 2010-08-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative peptide binding protein (RUMGNA_00914) from Ruminococcus gnavus ATCC 29149 at 1.60 A resolution To be published 0 0 0 0 3O13 Crystal structure of a superantigen-like protein (SAV0433) from Staphylococcus aureus MU50 at 2.05 A resolution 2010-07-20 2010-08-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a superantigen-like protein (SAV0433) from Staphylococcus aureus MU50 at 2.05 A resolution To be published 0 0 0 0 3O8S Crystal structure of an ADP-ribose pyrophosphatase (SSU98_1448) from STREPTOCOCCUS SUIS 89-1591 at 2.27 A resolution 2010-08-03 2010-08-25 Joint Center for Structural Genomics (JCSG) Crystal structure of an ADP-ribose pyrophosphatase (SSU98_1448) from STREPTOCOCCUS SUIS 89-1591 at 2.27 A resolution To be published 0 0 0 0 3OAO Crystal structure of a protein with unknown function from DUF2059 family (PA0856) from PSEUDOMONAS AERUGINOSA at 2.72 A resolution 2010-08-05 2010-08-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a protein with unknown function from DUF2059 family (PA0856) from PSEUDOMONAS AERUGINOSA at 2.72 A resolution To be published 0 0 0 0 3OF4 Crystal structure of a FMN/FAD- and NAD(P)H-dependent nitroreductase (nfnB, IL2077) from Idiomarina loihiensis L2TR at 1.90 A resolution 2010-08-13 2010-08-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a FMN/FAD- and NAD(P)H-dependent nitroreductase (nfnB, IL2077) from Idiomarina loihiensis L2TR at 1.90 A resolution To be published 0 0 0 0 2WQA Complex of TTR and RBP4 and Oleic Acid 2009-08-14 2010-09-01 Nanao, M.,Stout, T.J. Crystal Structure of Rbp4 Bound to Linoleic Acid and Ttr To be Published 0 0 0 0 3OBE Crystal structure of a sugar phosphate isomerase/epimerase (BDI_3400) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution 2010-08-06 2010-09-01 Joint Center for Structural Genomics (JCSG) Crystal structure of a sugar phosphate isomerase/epimerase (BDI_3400) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution To be published 0 0 0 0 3KW4 20815363 Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine 2009-11-30 2010-09-15 Gay, S.C.,Roberts, A.G.,Maekawa, K.,Talakad, J.C.,Hong, W.X.,Zhang, Q.,Stout, C.D.,Halpert, J.R. Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel. Biochemistry 2010 49 8709 8720 3ME6 20815363 Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel 2010-03-31 2010-09-15 Gay, S.C.,Roberts, A.G.,Maekawa, K.,Talakad, J.C.,Hong, W.X.,Zhang, Q.,Stout, C.D.,Halpert, J.R. Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel. Biochemistry 2010 49 8709 8720 3NYY Crystal structure of a putative glycyl-glycine endopeptidase lytM (RUMGNA_02482) from Ruminococcus gnavus ATCC 29149 at 1.60 A resolution 2010-07-15 2010-09-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative glycyl-glycine endopeptidase lytM (RUMGNA_02482) from Ruminococcus gnavus ATCC 29149 at 1.60 A resolution To be published 0 0 0 0 3O1L Crystal structure of a formyltetrahydrofolate deformylase (PSPTO_4314) from Pseudomonas syringae pv. tomato str. DC3000 at 2.20 A resolution 2010-07-21 2010-09-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a formyltetrahydrofolate deformylase (PSPTO_4314) from Pseudomonas syringae pv. tomato str. DC3000 at 2.20 A resolution To be published 0 0 0 0 3ON5 Crystal structure of a xanthine dehydrogenase (BH1974) from Bacillus halodurans at 2.80 A resolution 2010-08-27 2010-09-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a xanthine dehydrogenase (BH1974) from Bacillus halodurans at 2.80 A resolution To be published 0 0 0 0 3ON6 Crystal structure of an exo-alpha-1,6-mannosidase (bacova_03626) from bacteroides ovatus at 1.70 a resolution 2010-08-27 2010-09-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a Bacterial protein of unknown function (BACOVA_03626) from Bacteroides ovatus at 1.70 A resolution To be published 0 0 0 0 3ON7 Crystal structure of a Putative oxygenase (SO_2589) from Shewanella oneidensis at 2.20 A resolution 2010-08-27 2010-09-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative oxygenase (SO_2589) from Shewanella oneidensis at 2.20 A resolution To be published 0 0 0 0 3NRG Crystal structure of a TetR family transcriptional regulator (Caur_2714) from CHLOROFLEXUS AURANTIACUS J-10-FL at 2.56 A resolution 2010-06-30 2010-09-22 Joint Center for Structural Genomics (JCSG) Crystal structure of a TetR family transcriptional regulator (Caur_2714) from CHLOROFLEXUS AURANTIACUS J-10-FL at 2.56 A resolution To be published 0 0 0 0 3NPG Crystal structure of a protein with unknown function from DUF364 family (PH1506) from PYROCOCCUS HORIKOSHII at 2.70 A resolution 2010-06-28 2010-09-29 Joint Center for Structural Genomics (JCSG) Crystal structure of a protein with unknown function from DUF364 family (PH1506) from PYROCOCCUS HORIKOSHII at 2.70 A resolution To be published 0 0 0 0 3NNB Crystal structure of an alginate lyase (BACOVA_01668) from Bacteroides ovatus at 1.60 A resolution 2010-06-23 2010-10-06 Joint Center for Structural Genomics (JCSG) Crystal structure of an alginate lyase (BACOVA_01668) from Bacteroides ovatus at 1.60 A resolution To be published 0 0 0 0 3O83 20853905 Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 2-(4-n-dodecyl-1,2,3-triazol-1-yl)-5'-O-[N-(2-hydroxybenzoyl)sulfamoyl]adenosine 2010-08-02 2010-10-06 Drake, E.J.,Duckworth, B.P.,Neres, J.,Aldrich, C.C.,Gulick, A.M. Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis. Biochemistry 2010 49 9292 9305 3OQL Crystal structure of a TenA homolog (PSPTO1738) from Pseudomonas syringae pv. tomato str. DC3000 at 2.54 A resolution 2010-09-03 2010-10-06 Joint Center for Structural Genomics (JCSG) Crystal structure of a TenA homolog (PSPTO1738) from Pseudomonas syringae pv. tomato str. DC3000 at 2.54 A resolution To be published 0 0 0 0 3OZ9 Crystal Structure of anti-gp41 Fab NC-1 2010-09-24 2010-10-06 Stanfield, R.L.,Calarese, D.A.,Jiang, S.,Wilson, I.A. Crystal Structure of anti-gp41 Fab NC-1 TO BE PUBLISHED 0 0 0 0 3N1X 20839885 X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201C Mutant 2010-05-17 2010-10-13 Song, W.J.,McCormick, M.S.,Behan, R.K.,Sazinsky, M.H.,Jiang, W.,Lin, J.,Krebs, C.,Lippard, S.J. Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase. J.Am.Chem.Soc. 2010 132 13582 13585 3N1Y 20839885 X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201G Mutant 2010-05-17 2010-10-13 Song, W.J.,McCormick, M.S.,Behan, R.K.,Sazinsky, M.H.,Jiang, W.,Lin, J.,Krebs, C.,Lippard, S.J. Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase. J.Am.Chem.Soc. 2010 132 13582 13585 3N1Z 20839885 X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201S Mutant 2010-05-17 2010-10-13 Song, W.J.,McCormick, M.S.,Behan, R.K.,Sazinsky, M.H.,Jiang, W.,Lin, J.,Krebs, C.,Lippard, S.J. Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase. J.Am.Chem.Soc. 2010 132 13582 13585 3N20 20839885 X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201V Mutant 2010-05-17 2010-10-13 Song, W.J.,McCormick, M.S.,Behan, R.K.,Sazinsky, M.H.,Jiang, W.,Lin, J.,Krebs, C.,Lippard, S.J. Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase. J.Am.Chem.Soc. 2010 132 13582 13585 3NQP Crystal structure of a SusD superfamily protein (BF1802) from Bacteroides fragilis NCTC 9343 at 1.90 A resolution 2010-06-29 2010-10-13 Joint Center for Structural Genomics (JCSG) Crystal structure of a SusD superfamily protein (BF1802) from Bacteroides fragilis NCTC 9343 at 1.90 A resolution To be published 0 0 0 0 3OQP Crystal structure of a putative isochorismatase (Bxe_A0706) from BURKHOLDERIA XENOVORANS LB400 at 1.22 A resolution 2010-09-03 2010-10-13 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative isochorismatase (Bxe_A0706) from BURKHOLDERIA XENOVORANS LB400 at 1.22 A resolution To be published 0 0 0 0 3ORJ Crystal structure of a sugar-binding protein (BACOVA_04391) from Bacteroides ovatus at 2.16 A resolution 2010-09-07 2010-10-13 Joint Center for Structural Genomics (JCSG) Crystal structure of a sugar-binding protein (BACOVA_04391) from Bacteroides ovatus at 2.16 A resolution To be published 0 0 0 0 3ORU Crystal structure of a DUF1989 family protein (TM1040_0329) from SILICIBACTER SP. TM1040 at 1.11 A resolution 2010-09-07 2010-10-13 Joint Center for Structural Genomics (JCSG) Crystal structure of a DUF1989 family protein (TM1040_0329) from SILICIBACTER SP. TM1040 at 1.11 A resolution To be published 0 0 0 0 3NXU 20937904 Crystal structure of human cytochrome P4503A4 bound to an inhibitor ritonavir 2010-07-14 2010-10-20 Sevrioukova, I.F.,Poulos, T.L. Structure and mechanism of the complex between cytochrome P4503A4 and ritonavir. Proc.Natl.Acad.Sci.USA 2010 107 18422 18427 3OZ2 20869368 Crystal structure of a geranylgeranyl bacteriochlorophyll reductase-like (Ta0516) from Thermoplasma acidophilum at 1.60 A resolution 2010-09-24 2010-10-27 Xu, Q.,Eguchi, T.,Mathews, I.I.,Rife, C.L.,Chiu, H.J.,Farr, C.L.,Feuerhelm, J.,Jaroszewski, L.,Klock, H.E.,Knuth, M.W.,Miller, M.D.,Weekes, D.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Wilson, I.A. Insights into substrate specificity of geranylgeranyl reductases revealed by the structure of digeranylgeranylglycerophospholipid reductase, an essential enzyme in the biosynthesis of archaeal membrane lipids. J.Mol.Biol. 2010 404 403 417 3L36 20719956 PIE12 D-peptide against HIV entry 2009-12-16 2010-11-03 Welch, B.D.,Francis, J.N.,Redman, J.S.,Paul, S.,Weinstock, M.T.,Reeves, J.D.,Lie, Y.S.,Whitby, F.G.,Eckert, D.M.,Hill, C.P.,Root, M.J.,Kay, M.S. Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance. J.Virol. 2010 84 11235 11244 3L37 20719956 PIE12 D-peptide against HIV entry 2009-12-16 2010-11-03 Welch, B.D.,Francis, J.N.,Redman, J.S.,Paul, S.,Weinstock, M.T.,Reeves, J.D.,Lie, Y.S.,Whitby, F.G.,Eckert, D.M.,Hill, C.P.,Root, M.J.,Kay, M.S. Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance. J.Virol. 2010 84 11235 11244 3P1U Crystal structure of a SusD homolog (BDI_0600) from Parabacteroides distasonis ATCC 8503 AT 2.05 A resolution 2010-09-30 2010-11-03 Joint Center for Structural Genomics (JCSG) Crystal structure of a SusD homolog (YP_001301998.1) from Parabacteroides distasonis ATCC 8503 at 2.05 A resolution To be published 0 0 0 0 3P94 Crystal structure of a GDSL-like Lipase (BDI_0976) from Parabacteroides distasonis ATCC 8503 at 1.93 A resolution 2010-10-15 2010-11-03 Joint Center for Structural Genomics (JCSG) Crystal structure of a GDSL-like Lipase (BDI_0976) from Parabacteroides distasonis ATCC 8503 at 1.93 A resolution To be published 0 0 0 0 3OS8 20924370 Estrogen Receptor 2010-09-08 2010-11-10 Bruning, J.B.,Parent, A.A.,Gil, G.,Zhao, M.,Nowak, J.,Pace, M.C.,Smith, C.L.,Afonine, P.V.,Adams, P.D.,Katzenellenbogen, J.A.,Nettles, K.W. Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol. 2010 6 837 843 3OS9 20924370 Estrogen Receptor 2010-09-08 2010-11-10 Bruning, J.B.,Parent, A.A.,Gil, G.,Zhao, M.,Nowak, J.,Pace, M.C.,Smith, C.L.,Afonine, P.V.,Adams, P.D.,Katzenellenbogen, J.A.,Nettles, K.W. Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol. 2010 6 837 843 3OSA 20924370 Estrogen Receptor 2010-09-08 2010-11-10 Bruning, J.B.,Parent, A.A.,Gil, G.,Zhao, M.,Nowak, J.,Pace, M.C.,Smith, C.L.,Afonine, P.V.,Adams, P.D.,Katzenellenbogen, J.A.,Nettles, K.W. Coupling of receptor conformation and ligand orientation determine graded activity. Nat.Chem.Biol. 2010 6 837 843 3L9X 21041667 KefC C-terminal domain in complex with KefF and ESG 2010-01-05 2010-11-17 Roosild, T.P.,Castronovo, S.,Healy, J.,Miller, S.,Pliotas, C.,Rasmussen, T.,Bartlett, W.,Conway, S.J.,Booth, I.R. Mechanism of ligand-gated potassium efflux in bacterial pathogens. Proc.Natl.Acad.Sci.USA 2010 107 19784 19789 3P6M Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8-Dans 2010-10-11 2010-11-17 Lee, Y.-T.,Glazer, E.C.,Wilson, R.F.,Goodin, D.B. Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8-Dans To be Published 0 0 0 0 3P6P Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio 2010-10-11 2010-11-17 Lee, Y.-T.,Glazer, E.C.,Wilson, R.F.,Goodin, D.B. Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio To be Published 0 0 0 0 3P6T Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans 2010-10-11 2010-11-17 Lee, Y.-T.,Glazer, E.C.,Wilson, R.F.,Goodin, D.B. Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans To be Published 0 0 0 0 3PI7 Crystal structure of a putative NADPH:quinone reductase (mll3093) from Mesorhizobium loti at 1.71 A resolution 2010-11-05 2010-11-17 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative NADPH:quinone reductase (mll3093) from Mesorhizobium loti at 1.71 A resolution To be published 0 0 0 0 3OUW 21075118 Structure of beta-catenin with Lef-1 2010-09-15 2010-11-24 Sun, J.,Weis, W.I. Biochemical and structural characterization of beta-catenin interactions with nonphosphorylated and CK2-phosphorylated Lef-1. J.Mol.Biol. 2011 405 519 530 3P4R 21098488 Crystal structure of Menaquinol:fumarate oxidoreductase in complex with glutarate 2010-10-07 2010-11-24 Tomasiak, T.M.,Archuleta, T.L.,Andrell, J.,Luna-Chavez, C.,Davis, T.A.,Sarwar, M.,Ham, A.J.,McDonald, W.H.,Yankovskaya, V.,Stern, H.A.,Johnston, J.N.,Maklashina, E.,Cecchini, G.,Iverson, T.M. Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase. J.Biol.Chem. 2011 286 3047 3056 3ODP Crystal structure of a putative tagatose-6-phosphate ketose/aldose isomerase (NT01CX_0292) from CLOSTRIDIUM NOVYI NT at 2.35 A resolution 2010-08-11 2010-12-01 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative tagatose-6-phosphate ketose/aldose isomerase (NT01CX_0292) from CLOSTRIDIUM NOVYI NT at 2.35 A resolution To be published 0 0 0 0 3P5D 21112338 Structure of the carbohydrate-recognition domain of human Langerin with man5 (Man alpha1-3(Man alpha1-6)Man alpha1-6)(Man- alpha1-3)Man 2010-10-08 2010-12-08 Feinberg, H.,Taylor, M.E.,Razi, N.,McBride, R.,Knirel, Y.A.,Graham, S.A.,Drickamer, K.,Weis, W.I. Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol. 2011 405 1027 1039 3P5E 21112338 Structure of the carbohydrate-recognition domain of human Langerin with man4 (Man alpha1-3(Man alpha1-6)Man alpha1-6Man) 2010-10-08 2010-12-08 Feinberg, H.,Taylor, M.E.,Razi, N.,McBride, R.,Knirel, Y.A.,Graham, S.A.,Drickamer, K.,Weis, W.I. Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol. 2011 405 1027 1039 3P5F 21112338 Structure of the carbohydrate-recognition domain of human Langerin with man2 (Man alpha1-2 Man) 2010-10-08 2010-12-08 Feinberg, H.,Taylor, M.E.,Razi, N.,McBride, R.,Knirel, Y.A.,Graham, S.A.,Drickamer, K.,Weis, W.I. Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol. 2011 405 1027 1039 3P5G 21112338 Structure of the carbohydrate-recognition domain of human Langerin with Blood group B trisaccharide (Gal alpha1-3(Fuc alpha1-2)Gal) 2010-10-08 2010-12-08 Feinberg, H.,Taylor, M.E.,Razi, N.,McBride, R.,Knirel, Y.A.,Graham, S.A.,Drickamer, K.,Weis, W.I. Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol. 2011 405 1027 1039 3P5H 21112338 Structure of the carbohydrate-recognition domain of human Langerin with Laminaritriose 2010-10-08 2010-12-08 Feinberg, H.,Taylor, M.E.,Razi, N.,McBride, R.,Knirel, Y.A.,Graham, S.A.,Drickamer, K.,Weis, W.I. Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol. 2011 405 1027 1039 3P5I 21112338 Structure of the carbohydrate-recognition domain of human Langerin with 6-SO4-Gal-GlcNAc 2010-10-08 2010-12-08 Feinberg, H.,Taylor, M.E.,Razi, N.,McBride, R.,Knirel, Y.A.,Graham, S.A.,Drickamer, K.,Weis, W.I. Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol. 2011 405 1027 1039 3MZS 21159775 Crystal Structure of Cytochrome P450 CYP11A1 in complex with 22-hydroxy-cholesterol 2010-05-12 2010-12-15 Mast, N.,Annalora, A.J.,Lodowski, D.T.,Palczewski, K.,Stout, C.D.,Pikuleva, I.A. Structural Basis for Three-step Sequential Catalysis by the Cholesterol Side Chain Cleavage Enzyme CYP11A1. J.Biol.Chem. 2011 286 5607 5613 3PGV Crystal structure of a haloacid dehalogenase-like hydrolase (KPN_04322) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.39 A resolution 2010-11-02 2010-12-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a haloacid dehalogenase-like hydrolase (KPN_04322) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.39 A resolution To be published 0 0 0 0 3PM9 Crystal structure of a Putative dehydrogenase (RPA1076) from Rhodopseudomonas palustris CGA009 at 2.57 A resolution 2010-11-16 2010-12-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative dehydrogenase (RPA1076) from Rhodopseudomonas palustris CGA009 at 2.57 A resolution To be published 0 0 0 0 3PNX Crystal structure of a putative sulfurtransferase dsrE (Swol_2425) from Syntrophomonas wolfei str. Goettingen at 1.92 A resolution 2010-11-19 2010-12-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative sulfurtransferase dsrE (Swol_2425) from Syntrophomonas wolfei str. Goettingen at 1.92 A resolution To be published 0 0 0 0 3PPL Crystal structure of an aspartate transaminase (NCgl0237, Cgl0240) from CORYNEBACTERIUM GLUTAMICUM ATCC 13032 KITASATO at 1.25 A resolution 2010-11-24 2010-12-22 Joint Center for Structural Genomics (JCSG) Crystal structure of an aspartate transaminase (NCgl0237, Cgl0240) from CORYNEBACTERIUM GLUTAMICUM ATCC 13032 KITASATO at 1.25 A resolution To be published 0 0 0 0 3KZS Crystal structure of glycosyl hydrolase family 5 (NP_809925.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution 2009-12-08 2010-12-29 Joint Center for Structural Genomics (JCSG) Crystal structure of glycosyl hydrolase family 5 (NP_809925.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 A resolution To be published 0 0 0 0 3NZ6 21206056 Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-Carboxy(alkyloxy)Pyrido[2,3-d]pyrimidine Derivatives 2010-07-16 2010-12-29 Cody, V.,Pace, J. Structural analysis of Pneumocystis carinii and human DHFR complexes with NADPH and a series of five potent 6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives Acta Crystallogr.,Sect.D 2011 67 1 7 3NZ9 21206056 Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-Carboxy(alkyloxy)Pyrido[2,3-d]pyrimidine Derivatives 2010-07-16 2010-12-29 Cody, V.,Pace, J. Structural analysis of Pneumocystis carinii and human DHFR complexes with NADPH and a series of five potent 6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives Acta Crystallogr.,Sect.D 2011 67 1 7 3NZA 21206056 Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-Carboxy(alkyloxy)pyrido[2,3-d]pyrimidine Derivatives 2010-07-16 2010-12-29 Cody, V.,Pace, J. Structural analysis of Pneumocystis carinii and human DHFR complexes with NADPH and a series of five potent 6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives Acta Crystallogr.,Sect.D 2011 67 1 7 3NZB 21206056 Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Potent 5-(omega-carboxyl(alkyloxy)pyrido[2,-d]pyrimidine Derivatives 2010-07-16 2010-12-29 Cody, V.,Pace, J. Structural analysis of Pneumocystis carinii and human DHFR complexes with NADPH and a series of five potent 6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives Acta Crystallogr.,Sect.D 2011 67 1 7 3NZC 21206056 Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-carboxy(alkyloxy)pyrido[2,3-d]pyridine Derivativea 2010-07-16 2010-12-29 Cody, V.,Pace, J. Structural analysis of Pneumocystis carinii and human DHFR complexes with NADPH and a series of five potent 6-[5'-([omega]-carboxyalkoxy)benzyl]pyrido[2,3-d]pyrimidine derivatives Acta Crystallogr.,Sect.D 2011 67 1 7 3PU0 21177817 Crystal Structure of a vesicular stomatitis virus nucleocapsid-polyC complex 2010-12-03 2011-01-12 Green, T.J.,Rowse, M.,Tsao, J.,Kang, J.,Ge, P.,Zhou, Z.H.,Luo, M. Access to RNA Encapsidated in the Nucleocapsid of Vesicular Stomatitis Virus. J.Virol. 2011 85 2714 2722 3PU1 21177817 Crystal Structure of a vesicular stomatitis virus nucleocapsid-polyG complex 2010-12-03 2011-01-12 Green, T.J.,Rowse, M.,Tsao, J.,Kang, J.,Ge, P.,Zhou, Z.H.,Luo, M. Access to RNA Encapsidated in the Nucleocapsid of Vesicular Stomatitis Virus. J.Virol. 2011 85 2714 2722 3NLX 20843082 Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2- (2,2-Difluoro-2-(3-fluorophenyl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine 2010-06-21 2011-01-19 Xue, F.,Li, H.,Delker, S.L.,Fang, J.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase. J.Am.Chem.Soc. 2010 132 14229 14238 3NLY 20843082 Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2- (2,2-Difluoro-2-(4-fluorophenyl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine 2010-06-21 2011-01-19 Xue, F.,Li, H.,Delker, S.L.,Fang, J.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase. J.Am.Chem.Soc. 2010 132 14229 14238 3NLZ 20843082 Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-(2,2-Difluoro-2-phenylethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine 2010-06-21 2011-01-19 Xue, F.,Li, H.,Delker, S.L.,Fang, J.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase. J.Am.Chem.Soc. 2010 132 14229 14238 3NM0 20843082 Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-(2,2-Difluoro-2-phenylethylamino)ethoxy) pyrrolidin-3-yl)methyl)-4-methyl-3,4,5,6-tetrahydropyridin-2-amine 2010-06-21 2011-01-19 Xue, F.,Li, H.,Delker, S.L.,Fang, J.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase. J.Am.Chem.Soc. 2010 132 14229 14238 3PXP 22844465 Crystal structure of a PAS and DNA binding domain containing protein (Caur_2278) from CHLOROFLEXUS AURANTIACUS J-10-FL at 2.30 A resolution 2010-12-10 2011-01-19 Xu, Q.,van Wezel, G.P.,Chiu, H.J.,Jaroszewski, L.,Klock, H.E.,Knuth, M.W.,Miller, M.D.,Lesley, S.A.,Godzik, A.,Elsliger, M.A.,Deacon, A.M.,Wilson, I.A. Structure of an MmyB-Like Regulator from C. aurantiacus, Member of a New Transcription Factor Family Linked to Antibiotic Metabolism in Actinomycetes. Plos One 2012 7 0 0 3Q9L 21231967 The structure of the dimeric E.coli MinD-ATP complex 2011-01-08 2011-01-26 Wu, W.,Park, K.T.,Holyoak, T.,Lutkenhaus, J. Determination of the structure of the MinD-ATP complex reveals the orientation of MinD on the membrane and the relative location of the binding sites for MinE and MinC. Mol.Microbiol. 2011 79 1515 1528 3ODM 21491491 Archaeal-type phosphoenolpyruvate carboxylase 2010-08-11 2011-02-02 Dharmarajan, L.,Kraszewski, J.L.,Mukhopadhyay, B.,Dunten, P.W. Structure of an archaeal-type phosphoenolpyruvate carboxylase sensitive to inhibition by aspartate. Proteins 2011 79 1820 1829 3MST Crystal structure of a Putative nitrate transport protein (TVN0104) from THERMOPLASMA VOLCANIUM at 1.35 A resolution 2010-04-29 2011-02-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative nitrate transport protein (TVN0104) from THERMOPLASMA VOLCANIUM at 1.35 A resolution To be published 0 0 0 0 3PET Crystal structure of a putative adhesin (BF0245) from Bacteroides fragilis NCTC 9343 at 2.07 A resolution 2010-10-27 2011-02-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative adhesin (BF0245) from Bacteroides fragilis NCTC 9343 at 2.07 A resolution To be published 0 0 0 0 3Q5Z 21708941 Crystal structure of virulent allele ROP5B pseudokinase domain 2010-12-30 2011-02-23 Reese, M.L.,Boothroyd, J.C. A conserved non-canonical motif in the pseudoactive site of the ROP5 pseudokinase domain mediates its effect on Toxoplasma virulence. J.Biol.Chem. 2011 286 29366 29375 3Q60 21708941 Crystal structure of virulent allele ROP5B pseudokinase domain bound to ATP 2010-12-30 2011-02-23 Reese, M.L.,Boothroyd, J.C. A conserved non-canonical motif in the pseudoactive site of the ROP5 pseudokinase domain mediates its effect on Toxoplasma virulence. J.Biol.Chem. 2011 286 29366 29375 3QKB Crystal structure of a Protein with unknown function which belongs to Pfam DUF74 family (PEPE_0654) from Pediococcus pentosaceus ATCC 25745 at 2.73 A resolution 2011-01-31 2011-02-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a Protein with unknown function which belongs to Pfam DUF74 family (PEPE_0654) from Pediococcus pentosaceus ATCC 25745 at 2.73 A resolution To be published 0 0 0 0 3QEC Crystal structure of a putative carbohydrate binding protein (PA1324) from Pseudomonas aeruginosa at 2.61 A resolution 2011-01-20 2011-03-02 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative carbohydrate binding protein (PA1324) from Pseudomonas aeruginosa at 2.61 A resolution To be published 0 0 0 0 3QKX Crystal structure of a TetR-family transcriptional regulator (HI0893) from Haemophilus influenzae RD at 2.35 A resolution 2011-02-01 2011-03-02 Joint Center for Structural Genomics (JCSG) Crystal structure of a TetR-family transcriptional regulator (HI0893) from Haemophilus influenzae RD at 2.35 A resolution To be published 0 0 0 0 3QQW Crystal structure of a putative lyase (Reut_B4148) from Ralstonia eutropha JMP134 at 2.44 A resolution 2011-02-16 2011-03-02 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical lyase (Reut_B4148) from Ralstonia eutropha JMP134 at 2.44 A resolution To be published 0 0 0 0 3QC3 Crystal structure of a D-ribulose-5-phosphate-3-epimerase (NP_954699) from HOMO SAPIENS at 2.20 A resolution 2011-01-14 2011-03-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a D-ribulose-5-phosphate-3-epimerase (NP_954699) from HOMO SAPIENS at 2.20 A resolution To be published 0 0 0 0 3QQO 21367895 Crystal structure of HA2 R106H mutant of H2 hemagglutinin, acidic pH form 2011-02-15 2011-03-09 Xu, R.,Wilson, I.A. Structural Characterization of an Early Fusion Intermediate of Influenza Virus Hemagglutinin. J.Virol. 2011 85 5172 5182 3QTH Crystal structure of a DinB-like protein (CPS_3021) from Colwellia psychrerythraea 34H at 2.20 A resolution 2011-02-22 2011-03-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical DinB-like protein (CPS_3021) from Colwellia psychrerythraea 34H at 2.20 A resolution To be published 0 0 0 0 3PSF 21419780 Crystal Structure of the Spt6 core domain from Saccharomyces cerevisiae, Form Spt6(236-1259) 2010-12-01 2011-03-30 Close, D.,Johnson, S.J.,Sdano, M.A.,McDonald, S.M.,Robinson, H.,Formosa, T.,Hill, C.P. Crystal structures of the S. cerevisiae Spt6 core and C-terminal tandem SH2 domain. J.Mol.Biol. 2011 408 697 713 3QKR 21441914 Mre11 Rad50 binding domain bound to Rad50 2011-02-01 2011-03-30 Williams, G.J.,Williams, R.S.,Williams, J.S.,Moncalian, G.,Arvai, A.S.,Limbo, O.,Guenther, G.,Sildas, S.,Hammel, M.,Russell, P.,Tainer, J.A. ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair. Nat.Struct.Mol.Biol. 2011 18 423 431 3QKS 21441914 Mre11 Rad50 binding domain bound to Rad50 2011-02-01 2011-03-30 Williams, G.J.,Williams, R.S.,Williams, J.S.,Moncalian, G.,Arvai, A.S.,Limbo, O.,Guenther, G.,Sildas, S.,Hammel, M.,Russell, P.,Tainer, J.A. ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair. Nat.Struct.Mol.Biol. 2011 18 423 431 3QPR 21276801 HK97 Prohead I encapsidating inactive virally encoded protease 2011-02-14 2011-03-30 Huang, R.K.,Khayat, R.,Lee, K.K.,Gertsman, I.,Duda, R.L.,Hendrix, R.W.,Johnson, J.E. The Prohead-I structure of bacteriophage HK97: implications for scaffold-mediated control of particle assembly and maturation. J.Mol.Biol. 2011 408 541 554 3QTA Crystal structure of a CheC-like protein (rrnAC0528) from Haloarcula marismortui ATCC 43049 at 2.00 A resolution 2011-02-22 2011-04-06 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical CheC-like protein (rrnAC0528) from HALOARCULA MARISMORTUI ATCC 43049 at 2.00 A resolution To be published 0 0 0 0 3QW9 21402931 Crystal structure of betaglycan ZP-C domain 2011-02-27 2011-04-06 Lin, S.J.,Hu, Y.,Zhu, J.,Woodruff, T.K.,Jardetzky, T.S. Structure of betaglycan zona pellucida (ZP)-C domain provides insights into ZP-mediated protein polymerization and TGF-{beta} binding. Proc.Natl.Acad.Sci.USA 2011 108 5232 5236 3QW9 21402931 Crystal structure of betaglycan ZP-C domain 2011-02-27 2011-04-06 Lin, S.J.,Hu, Y.,Zhu, J.,Woodruff, T.K.,Jardetzky, T.S. Structure of betaglycan zona pellucida (ZP)-C domain provides insights into ZP-mediated protein polymerization and TGF-{beta} binding. Proc.Natl.Acad.Sci.USA 2011 108 5232 5236 3R4I Crystal structure of a Citrate lyase (Bxe_B2899) from BURKHOLDERIA XENOVORANS LB400 at 2.24 A resolution 2011-03-17 2011-04-06 Joint Center for Structural Genomics (JCSG) Crystal structure of a Citrate lyase (Bxe_B2899) from BURKHOLDERIA XENOVORANS LB400 at 2.24 A resolution To be published 0 0 0 0 3MJ8 21629689 Crystal structure of HL4E10 Fab, a hamster Ab stimulatory for gammadelta T cells 2010-04-12 2011-04-13 Verdino, P.,Witherden, D.A.,Podshivalova, K.,Rieder, S.E.,Havran, W.L.,Wilson, I.A. cDNA sequence and Fab crystal structure of HL4E10, a hamster IgG lambda light chain antibody stimulatory for gammadelta T cells. Plos One 2011 6 0 0 3QIY 21434688 Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1 2011-01-28 2011-04-13 Thompson, A.A.,Jiao, G.S.,Kim, S.,Thai, A.,Cregar-Hernandez, L.,Margosiak, S.A.,Johnson, A.T.,Han, G.W.,O'Malley, S.,Stevens, R.C. Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry 2011 50 4019 4028 3QIZ 21434688 Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2 2011-01-28 2011-04-13 Thompson, A.A.,Jiao, G.S.,Kim, S.,Thai, A.,Cregar-Hernandez, L.,Margosiak, S.A.,Johnson, A.T.,Han, G.W.,O'Malley, S.,Stevens, R.C. Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry 2011 50 4019 4028 3QJ0 21434688 Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3 2011-01-28 2011-04-13 Thompson, A.A.,Jiao, G.S.,Kim, S.,Thai, A.,Cregar-Hernandez, L.,Margosiak, S.A.,Johnson, A.T.,Han, G.W.,O'Malley, S.,Stevens, R.C. Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry 2011 50 4019 4028 3OC8 21440558 Crystal Structure of the C-terminal Domain of the Vibrio cholerae soluble colonization factor TcpF 2010-08-09 2011-04-20 Megli, C.J.,Yuen, A.S.,Kolappan, S.,Richardson, M.R.,Dharmasena, M.N.,Krebs, S.J.,Taylor, R.K.,Craig, L. Crystal Structure of the Vibrio cholerae Colonization Factor TcpF and Identification of a Functional Immunogenic Site. J.Mol.Biol. 2011 409 146 158 3Q8K 21496641 Crystal Structure of Human Flap Endonuclease FEN1 (WT) in complex with product 5'-flap DNA, SM3+, and K+ 2011-01-06 2011-04-27 Tsutakawa, S.E.,Classen, S.,Chapados, B.R.,Arvai, A.S.,Finger, L.D.,Guenther, G.,Tomlinson, C.G.,Thompson, P.,Sarker, A.H.,Shen, B.,Cooper, P.K.,Grasby, J.A.,Tainer, J.A. Human Flap Endonuclease Structures, DNA Double-Base Flipping, and a Unified Understanding of the FEN1 Superfamily. Cell(Cambridge,Mass.) 2011 145 198 211 3R1A 21510666 Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene 2011-03-09 2011-05-11 Gay, S.C.,Zhang, H.,Wilderman, P.R.,Roberts, A.G.,Liu, T.,Li, S.,Lin, H.L.,Zhang, Q.,Woods, V.L.,Stout, C.D.,Hollenberg, P.F.,Halpert, J.R. Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry 2011 50 4903 4911 3R1B 21510666 Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene 2011-03-09 2011-05-11 Gay, S.C.,Zhang, H.,Wilderman, P.R.,Roberts, A.G.,Liu, T.,Li, S.,Lin, H.L.,Zhang, Q.,Woods, V.L.,Stout, C.D.,Hollenberg, P.F.,Halpert, J.R. Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity. Biochemistry 2011 50 4903 4911 3R6N 21536047 Crystal structure of a rigid four spectrin repeat fragment of the human desmoplakin plakin domain 2011-03-22 2011-05-11 Choi, H.J.,Weis, W.I. Crystal structure of a rigid four-spectrin-repeat fragment of the human desmoplakin plakin domain. J.Mol.Biol. 2011 409 800 812 3MZR 22477781 RNase crystals grown in loops/micromounts 2010-05-12 2011-05-25 Berger, M.A.,Decker, J.H.,Mathews, I.I. Diffraction study of protein crystals grown in cryoloops and micromounts. J.Appl.Crystallogr. 2010 43 1513 1518 3N02 22477781 Thaumatic crystals grown in loops/micromounts 2010-05-13 2011-05-25 Berger, M.A.,Decker, J.H.,Mathews, I.I. Diffraction study of protein crystals grown in cryoloops and micromounts. J.Appl.Crystallogr. 2010 43 1513 1518 3N0B 22477781 TM0449 mutant crystals grown in loops/micromounts 2010-05-13 2011-05-25 Berger, M.A.,Decker, J.H.,Mathews, I.I. Diffraction study of protein crystals grown in cryoloops and micromounts. J.Appl.Crystallogr. 2010 43 1513 1518 3QRQ 21572444 Structure of Thermus Thermophilus Cse3 bound to an RNA representing a pre-cleavage complex 2011-02-18 2011-05-25 Gesner, E.M.,Schellenberg, M.J.,Garside, E.L.,George, M.M.,Macmillan, A.M. Recognition and maturation of effector RNAs in a CRISPR interference pathway. Nat.Struct.Mol.Biol. 2011 18 688 692 3OGP 21636894 Crystal Structure of 6s-98S FIV Protease with Darunavir bound 2010-08-17 2011-06-08 Lin, Y.C.,Perryman, A.L.,Olson, A.J.,Torbett, B.E.,Elder, J.H.,Stout, C.D. Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease. Acta Crystallogr.,Sect.D 2011 67 540 548 3OGQ 21636894 Crystal Structure of 6s-98S FIV Protease with Lopinavir bound 2010-08-17 2011-06-08 Lin, Y.C.,Perryman, A.L.,Olson, A.J.,Torbett, B.E.,Elder, J.H.,Stout, C.D. Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease. Acta Crystallogr.,Sect.D 2011 67 540 548 3POY 21620717 Crystal Structure of the alpha-Neurexin-1 ectodomain, LNS 2-6 2010-11-23 2011-06-08 Miller, M.T.,Mileni, M.,Comoletti, D.,Stevens, R.C.,Harel, M.,Taylor, P. The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function. Structure 2011 19 767 778 3S30 Crystal structure of a putative glycoside hydrolase (BVU_0247) from Bacteroides vulgatus ATCC 8482 at 2.46 A resolution 2011-05-17 2011-06-08 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical glycoside hydrolase (BVU_0247) from Bacteroides vulgatus ATCC 8482 at 2.46 A resolution To be published 0 0 0 0 3S5Q Crystal structure of a putative glycosyl hydrolase (BDI_2473) from Parabacteroides distasonis ATCC 8503 at 1.85 A resolution 2011-05-23 2011-06-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical Glycosyl hydrolase (BDI_2473) from Parabacteroides distasonis ATCC 8503 at 1.85 A resolution To be published 0 0 0 0 3SB4 Crystal structure of a leucine-rich repeat protein (BT_1240) from Bacteroides thetaiotaomicron VPI-5482 at 1.99 A resolution 2011-06-03 2011-06-22 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical leucine rich repeat protein (BT_1240) from Bacteroides thetaiotaomicron VPI-5482 at 1.99 A resolution To be published 0 0 0 0 3QUX 21552205 Structure of the mouse CD1d-alpha-C-GalCer-iNKT TCR complex 2011-02-24 2011-06-29 Aspeslagh, S.,Li, Y.,Yu, E.D.,Pauwels, N.,Trappeniers, M.,Girardi, E.,Decruy, T.,Van Beneden, K.,Venken, K.,Drennan, M.,Leybaert, L.,Wang, J.,Franck, R.W.,Van Calenbergh, S.,Zajonc, D.M.,Elewaut, D. Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis. Embo J. 2011 30 2294 2305 3SD2 Crystal structure of a putative member of duf3244 protein family (BT_3571) from Bacteroides thetaiotaomicron vpi-5482 at 1.40 A resolution 2011-06-08 2011-06-29 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative member of DUF3244 protein family (BT_3571) from Bacteroides thetaiotaomicron VPI-5482 at 1.40 A resolution To be published 0 0 0 0 3SGG Crystal structure of a putative hydrolase (BT_2193) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 A resolution 2011-06-14 2011-06-29 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical hydrolase (BT_2193) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 A resolution To be published 0 0 0 0 3OJ8 21428410 Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain 2010-08-20 2011-07-06 Ezzili, C.,Mileni, M.,McGlinchey, N.,Long, J.Z.,Kinsey, S.G.,Hochstatter, D.G.,Stevens, R.C.,Lichtman, A.H.,Cravatt, B.F.,Bilsky, E.J.,Boger, D.L. alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain J.Med.Chem. 2011 54 2805 2822 3S6F Crystal structure of a putative acetyltransferase (DR_1678) from Deinococcus radiodurans R1 at 1.19 A resolution 2011-05-25 2011-07-06 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical acetyltransferase (DR_1678) from Deinococcus radiodurans at 1.19 A resolution To be Published 0 0 0 0 3SGH Crystal structure of a SusD-like protein (BT_3752) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution 2011-06-14 2011-07-06 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical SusD-like protein (BT_3752) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution To be published 0 0 0 0 3RGI 21707057 Trans-acting transferase from Disorazole synthase 2011-04-08 2011-07-13 Wong, F.T.,Jin, X.,Mathews, I.I.,Cane, D.E.,Khosla, C. Structure and Mechanism of the trans-Acting Acyltransferase from the Disorazole Synthase. Biochemistry 2011 50 6539 6548 3SC3 Crystal structure of a Putative DNA replication regulator Hda (Sama_1916) from SHEWANELLA AMAZONENSIS SB2B at 3.00 A resolution 2011-06-06 2011-07-13 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative DNA replication regulator Hda (Sama_1916) from SHEWANELLA AMAZONENSIS SB2B at 3.00 A resolution To be published 0 0 0 0 3SIY Crystal structure of a DUF1989 family protein (TM1040_0329) from SILICIBACTER SP. TM1040 at 1.35 A resolution 2011-06-20 2011-07-13 Joint Center for Structural Genomics (JCSG) Crystal structure of a DUF1989 family protein (TM1040_0329) from SILICIBACTER SP. TM1040 at 1.35 A resolution To be published 0 0 0 0 3SO4 Methionine-adenosyltransferase from Entamoeba histolytica 2011-06-29 2011-07-20 Merritt, E.A.,Arakaki, T.,Zhang, L.,Napuli, A.,Van Voorhis, W.C.,Buckner, F.S.,Fan, E.,Zucker, F.,Verlinde, C.L.M.J.,Hol, W.G.J. Methionine-adenosyltransferase from Entamoeba histolytica To be Published 0 0 0 0 3SOT Crystal structure of a Multidomain protein including DUF1735 (BACOVA_03322) from Bacteroides ovatus at 2.80 A resolution 2011-06-30 2011-07-27 Joint Center for Structural Genomics (JCSG) Crystal structure of a Multidomain protein including DUF1735 (BACOVA_03322) from Bacteroides ovatus at 2.80 A resolution To be published 0 0 0 0 3SEE Crystal structure of a putative sugar binding protein (BT_4411) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 A resolution 2011-06-10 2011-08-03 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical sugar binding protein (BT_4411) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 A resolution To be published 0 0 0 0 3SJ2 21766409 A Crystal Structure of a Model of the Repeating r(CGG) Transcript Found in Fragile X Syndrome 2011-06-20 2011-08-03 Kumar, A.,Fang, P.,Park, H.,Guo, M.,Nettles, K.W.,Disney, M.D. A Crystal Structure of a Model of the Repeating r(CGG) Transcript Found in Fragile X Syndrome. Chembiochem 2011 12 2140 2142 3QC6 21765814 GspB 2011-01-15 2011-08-10 Pyburn, T.M.,Bensing, B.A.,Xiong, Y.Q.,Melancon, B.J.,Tomasiak, T.M.,Ward, N.J.,Yankovskaya, V.,Oliver, K.M.,Cecchini, G.,Sulikowski, G.A.,Tyska, M.J.,Sullam, P.M.,Iverson, T.M. A Structural Model for Binding of the Serine-Rich Repeat Adhesin GspB to Host Carbohydrate Receptors. Plos Pathog. 2011 7 0 0 3RZO 21798951 RNA Polymerase II Initiation Complex with a 4-nt RNA 2011-05-12 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3S14 21798951 RNA Polymerase II Initiation Complex with a 6-nt RNA 2011-05-14 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3S15 21798951 RNA Polymerase II Initiation Complex with a 7-nt RNA 2011-05-14 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3S16 21798951 RNA Polymerase II Initiation Complex with an 8-nt RNA 2011-05-14 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3S17 21798951 RNA Polymerase II Initiation Complex with a 9-nt RNA 2011-05-14 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3S1M 21798951 RNA Polymerase II Initiation Complex with a 5-nt RNA (variant 1) 2011-05-15 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3S1N 21798951 RNA Polymerase II Initiation Complex with a 5-nt RNA (variant 2) 2011-05-15 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3S1Q 21798951 RNA Polymerase II Initiation Complex with a 5-nt 3'-deoxy RNA soaked with ATP 2011-05-16 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3S1R 21798951 RNA Polymerase II Initiation Complex with a 5-nt 3'-deoxy RNA soaked with GTP 2011-05-16 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3S2D 21798951 RNA Polymerase II Initiation Complex with a 5-nt RNA containing a 5Br-U 2011-05-16 2011-08-10 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3T3T 21776984 1.38 A structure of human frataxin variant Q148G 2011-07-25 2011-08-10 Bridwell-Rabb, J.,Winn, A.M.,Barondeau, D.P. Structure-Function Analysis of Friedreich's Ataxia Mutants Reveals Determinants of Frataxin Binding and Activation of the Fe-S Assembly Complex. Biochemistry 2011 50 7265 7274 3S2H 21798951 RNA Polymerase II Initiation Complex with a 6-nt RNA containing a 2[prime]-iodo ATP 2011-05-16 2011-08-17 Liu, X.,Bushnell, D.A.,Silva, D.A.,Huang, X.,Kornberg, R.D. Initiation complex structure and promoter proofreading. Science 2011 333 633 637 3SON Crystal structure of a putativel NUDIX hydrolase (LMOf2365_2679) from Listeria monocytogenes str. 4b F2365 at 1.70 A resolution 2011-06-30 2011-08-17 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical NUDIX hydrolase (LMOf2365_2679) from LISTERIA MONOCYTOGENES (ATCC 19115) at 1.70 A resolution To be published 0 0 0 0 3P3R 21865539 Transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)(2-fluorophenyl)methanone 2010-10-05 2011-08-24 Alhamadsheh, M.M.,Connelly, S.,Cho, A.,Reixach, N.,Powers, E.T.,Pan, D.W.,Wilson, I.A.,Kelly, J.W.,Graef, I.A. Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity. Sci Transl Med 2011 3 0 0 3P3S 21865539 Human transthyretin (TTR) complexed with (Z)-5-(3,5-dibromo-4-hydroxybenzylidene)-imino-1-methylimidazolidin-4-one 2010-10-05 2011-08-24 Alhamadsheh, M.M.,Connelly, S.,Cho, A.,Reixach, N.,Powers, E.T.,Pan, D.W.,Wilson, I.A.,Kelly, J.W.,Graef, I.A. Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity. Sci Transl Med 2011 3 0 0 3P3T 21865539 Human transthyretin (TTR) complexed with 4-(3-(2-flourophenoxy)propyl)-3,5-dimethyl-1H-pyrazole 2010-10-05 2011-08-24 Alhamadsheh, M.M.,Connelly, S.,Cho, A.,Reixach, N.,Powers, E.T.,Pan, D.W.,Wilson, I.A.,Kelly, J.W.,Graef, I.A. Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity. Sci Transl Med 2011 3 0 0 3P3U 21865539 Human transthyretin (TTR) complexed with 5-(2-ethoxyphenyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole 2010-10-05 2011-08-24 Alhamadsheh, M.M.,Connelly, S.,Cho, A.,Reixach, N.,Powers, E.T.,Pan, D.W.,Wilson, I.A.,Kelly, J.W.,Graef, I.A. Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity. Sci Transl Med 2011 3 0 0 3RY2 21904034 Wild-type core streptavidin-biotin complex at atomic resolution 2011-05-10 2011-08-24 Le Trong, I.,Wang, Z.,Hyre, D.E.,Lybrand, T.P.,Stayton, P.S.,Stenkamp, R.E. Streptavidin and its biotin complex at atomic resolution. Acta Crystallogr.,Sect.D 2011 67 813 821 3TDQ Crystal structure of a fimbrial biogenesis protein PilY2 (PilY2_PA4555) from Pseudomonas aeruginosa PAO1 at 2.10 A resolution 2011-08-11 2011-08-31 Joint Center for Structural Genomics (JCSG) Crystal structure of a fimbrial biogenesis protein PilY2 (PA4555) from Pseudomonas aeruginosa PAO1 at 2.10 A resolution To be published 0 0 0 0 3T6K Crystal structure of a putative response regulator (Caur_3799) from Chloroflexus aurantiacus J-10-fl at 1.86 A resolution 2011-07-28 2011-09-07 Joint Center for Structural Genomics (JCSG),Shapiro, L. Crystal structure of a Hypothetical RESPONSE REGULATOR (Caur_3799) from Chloroflexus aurantiacus J-10-fl at 1.86 A resolution To be published 0 0 0 0 3TJ5 21841197 human vinculin head domain (Vh1, residues 1-258) in complex with the vinculin binding site of the surface cell antigen 4 (sca4-VBS-N; residues 412-434) from Rickettsia rickettsii 2011-08-23 2011-09-07 Park, H.,Lee, J.H.,Gouin, E.,Cossart, P.,Izard, T. The rickettsia surface cell antigen 4 applies mimicry to bind to and activate vinculin. J.Biol.Chem. 2011 286 35096 35103 3TJ6 21841197 human vinculin head domain (Vh1, residues 1-258) in complex with the vinculin binding site of the surface cell antigen 4 (sca4-VBS-C; residues 812-835) from Rickettsia rickettsii 2011-08-23 2011-09-07 Park, H.,Lee, J.H.,Gouin, E.,Cossart, P.,Izard, T. The rickettsia surface cell antigen 4 applies mimicry to bind to and activate vinculin. J.Biol.Chem. 2011 286 35096 35103 3QOA 21875942 Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine. 2011-02-09 2011-09-14 Shah, M.B.,Pascual, J.,Zhang, Q.,Stout, C.D.,Halpert, J.R. Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains. Mol.Pharmacol. 2011 80 1047 1055 3QU8 21875942 Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine. 2011-02-23 2011-09-21 Shah, M.B.,Pascual, J.,Zhang, Q.,Stout, C.D.,Halpert, J.R. Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains. Mol.Pharmacol. 2011 80 1047 1055 3SRA 21892836 Structure of Pseudomonas aerugionsa PvdQ covalently acylated with myristic acid from PVDIq 2011-07-07 2011-09-21 Drake, E.J.,Gulick, A.M. Structural Characterization and High-Throughput Screening of Inhibitors of PvdQ, an NTN Hydrolase Involved in Pyoverdine Synthesis. Acs Chem.Biol. 2011 6 1277 1286 3SRB 21892836 Structure of Pseudomonas aeruginosa PvdQ bound to SMER28 2011-07-07 2011-09-21 Drake, E.J.,Gulick, A.M. Structural Characterization and High-Throughput Screening of Inhibitors of PvdQ, an NTN Hydrolase Involved in Pyoverdine Synthesis. Acs Chem.Biol. 2011 6 1277 1286 3O0I 23995768 Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H54 2010-07-19 2011-10-05 Patel, P.D.,Yan, P.,Seidler, P.M.,Patel, H.J.,Sun, W.,Yang, C.,Que, N.S.,Taldone, T.,Finotti, P.,Stephani, R.A.,Gewirth, D.T.,Chiosis, G. Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2. Nat.Chem.Biol. 2013 9 677 684 3O2F 23995768 Structure of the N-domain of GRP94 bound to the HSP90 inhibitor PU-H54 2010-07-22 2011-10-05 Patel, P.D.,Yan, P.,Seidler, P.M.,Patel, H.J.,Sun, W.,Yang, C.,Que, N.S.,Taldone, T.,Finotti, P.,Stephani, R.A.,Gewirth, D.T.,Chiosis, G. Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2. Nat.Chem.Biol. 2013 9 677 684 3T9I 21945284 Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution 2011-08-02 2011-10-12 Nishiguchi, G.A.,Atallah, G.,Bellamacina, C.,Burger, M.T.,Ding, Y.,Feucht, P.H.,Garcia, P.D.,Han, W.,Klivansky, L.,Lindvall, M. Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases. Bioorg.Med.Chem.Lett. 2011 21 6366 6369 3TYG 21998254 Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with a glycosylated engineered gp120 outer domain with miniV3 (eODmV3) 2011-09-25 2011-10-19 Pejchal, R.,Doores, K.J.,Walker, L.M.,Khayat, R.,Huang, P.S.,Wang, S.K.,Stanfield, R.L.,Julien, J.P.,Ramos, A.,Crispin, M.,Depetris, R.,Katpally, U.,Marozsan, A.,Cupo, A.,Maloveste, S.,Liu, Y.,McBride, R.,Ito, Y.,Sanders, R.W.,Ogohara, C.,Paulson, J.C.,Feizi, T.,Scanlan, C.N.,Wong, C.H.,Moore, J.P.,Olson, W.C.,Ward, A.B.,Poignard, P.,Schief, W.R.,Burton, D.R.,Wilson, I.A. A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield. Science 2011 334 1097 1103 3S2K 22000856 Structural basis of Wnt signaling inhibition by Dickkopf binding to LRP5/6. 2011-05-16 2011-11-02 Ahn, V.E.,Chu, M.L.,Choi, H.J.,Tran, D.,Abo, A.,Weis, W.I. Structural Basis of Wnt Signaling Inhibition by Dickkopf Binding to LRP5/6. Dev.Cell 2011 21 862 873 3PPM 21355555 Crystal Structure of a Noncovalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase 2010-11-24 2011-11-09 Mileni, M.,Garfunkle, J.,Ezzili, C.,Cravatt, B.F.,Stevens, R.C.,Boger, D.L. Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase. J.Am.Chem.Soc. 2011 133 4092 4100 3RF2 22079365 Crystal Structure of 30S Ribosomal Protein S8 from Aquifex Aeolicus 2011-04-05 2011-11-16 Menichelli, E.,Edgcomb, S.P.,Recht, M.I.,Williamson, J.R. The Structure of Aquifex aeolicus Ribosomal Protein S8 Reveals a Unique Subdomain that Contributes to an Extremely Tight Association with 16S rRNA. J.Mol.Biol. 2012 415 489 502 3RF2 22079365 Crystal Structure of 30S Ribosomal Protein S8 from Aquifex Aeolicus 2011-04-05 2011-11-16 Menichelli, E.,Edgcomb, S.P.,Recht, M.I.,Williamson, J.R. The Structure of Aquifex aeolicus Ribosomal Protein S8 Reveals a Unique Subdomain that Contributes to an Extremely Tight Association with 16S rRNA. J.Mol.Biol. 2012 415 489 502 3TK3 22051155 Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole 2011-08-25 2011-11-16 Wilderman, P.R.,Gay, S.C.,Jang, H.H.,Zhang, Q.,Stout, C.D.,Halpert, J.R. Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme. Febs J. 2012 279 1607 1620 3UCH Crystal structure of a peptidyl-prolyl cis-trans isomerase E (PPIE) from Homo sapiens at 2.50 A resolution 2011-10-26 2011-11-16 Joint Center for Structural Genomics (JCSG),Partnership for T-Cell Biology Crystal structure of a Hypotherical Peptidyl-prolyl cis-trans isomerase E (PPIE) from Homo sapiens at 2.50 A resolution To be published 0 0 0 0 3UC2 Crystal structure of a DUF4426 family protein (PA0388) from Pseudomonas aeruginosa PAO1 at 2.09 A resolution 2011-10-25 2011-11-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein with immunoglobulin-like fold (PA0388) from Pseudomonas aeruginosa PAO1 at 2.09 A resolution To be published 0 0 0 0 3UCG Crystal structure of a RNA binding domain of polyadenylate-binding protein (PABPN1) from Homo sapiens at 1.95 A resolution 2011-10-26 2011-11-23 Joint Center for Structural Genomics (JCSG),Partnership for T-Cell Biology Crystal structure of a RNA binding domain of Hypothetical POLYADENYLATE-BINDING PROTEIN (PABPN1) from Homo sapiens at 1.95 A resolution To be published 0 0 0 0 3TL4 22180531 Crystal Structure of the tRNA Binding Domain of Glutaminyl-tRNA Synthetase from Saccharomyces cerevisiae 2011-08-29 2011-11-30 Grant, T.D.,Snell, E.H.,Luft, J.R.,Quartley, E.,Corretore, S.,Wolfley, J.R.,Snell, M.E.,Hadd, A.,Perona, J.J.,Phizicky, E.M.,Grayhack, E.J. Structural conservation of an ancient tRNA sensor in eukaryotic glutaminyl-tRNA synthetase. Nucleic Acids Res. 2012 40 3723 3731 3TJH 22101157 42F3-p3A1/H2-Ld complex 2011-08-24 2011-12-07 Adams, J.J.,Narayanan, S.,Liu, B.,Birnbaum, M.E.,Kruse, A.C.,Bowerman, N.A.,Chen, W.,Levin, A.M.,Connolly, J.M.,Zhu, C.,Kranz, D.M.,Garcia, K.C. T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity 2011 35 681 693 3TPU 22101157 42F3 p5E8/H2-Ld complex 2011-09-08 2011-12-07 Adams, J.J.,Narayanan, S.,Liu, B.,Birnbaum, M.E.,Kruse, A.C.,Bowerman, N.A.,Chen, W.,Levin, A.M.,Connolly, J.M.,Zhu, C.,Kranz, D.M.,Garcia, K.C. T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity 2011 35 681 693 3URZ Crystal structure of a putative protein binding protein (BACOVA_03105) from Bacteroides ovatus ATCC 8483 at 2.19 A resolution 2011-11-22 2011-12-14 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACOVA_03105) from Bacteroides ovatus ATCC 8483 at 2.19 A resolution To be published 0 0 0 0 2Y6S 22171276 Structure of an Ebolavirus-protective antibody in complex with its mucin-domain linear epitope 2011-01-25 2012-01-11 Olal, D.O.,Kuehne, A.,Bale, S.,Halfmann, P.,Hashiguchi, T.,Fusco, M.L.,Lee, J.E.,King, L.B.,Kawaoka, Y.,Dye, J.M.,Saphire, E.O. Structure of an Ebola Virus-Protective Antibody in Complex with its Mucin-Domain Linear Epitope. J.Virol. 2012 86 2809 0 3QJQ 22226917 The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus 2011-01-30 2012-01-25 Liu, B.,Zhang, Y.,Sage, J.T.,Soltis, S.M.,Doukov, T.,Chen, Y.,Stout, C.D.,Fee, J.A. Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta 2012 1817 658 665 3QJS 22226917 The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus 2011-01-30 2012-01-25 Liu, B.,Zhang, Y.,Sage, J.T.,Soltis, S.M.,Doukov, T.,Chen, Y.,Stout, C.D.,Fee, J.A. Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta 2012 1817 658 665 3QJT 22226917 The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus 2011-01-30 2012-01-25 Liu, B.,Zhang, Y.,Sage, J.T.,Soltis, S.M.,Doukov, T.,Chen, Y.,Stout, C.D.,Fee, J.A. Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta 2012 1817 658 665 3QJU 22226917 The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus 2011-01-30 2012-01-25 Liu, B.,Zhang, Y.,Sage, J.T.,Soltis, S.M.,Doukov, T.,Chen, Y.,Stout, C.D.,Fee, J.A. Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta 2012 1817 658 665 3R06 22262845 Crystal structure of anti-mouse CD3epsilon antibody 2C11 Fab fragment 2011-03-07 2012-01-25 Fernandes, R.A.,Shore, D.A.,Vuong, M.T.,Yu, C.,Zhu, X.,Pereira-Lopes, S.,Brouwer, H.,Fennelly, J.A.,Jessup, C.M.,Evans, E.J.,Wilson, I.A.,Davis, S.J. T cell receptors are structures capable of initiating signaling in the absence of large conformational rearrangements. J.Biol.Chem. 2012 287 13324 13335 3U22 Crystal structure of a putative HmuY_like heme binding protein (BVU_2192) from Bacteroides vulgatus ATCC 8482 at 2.12 A resolution 2011-09-30 2012-01-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative HmuY_like heme binding protein (BVU_2192) from Bacteroides vulgatus ATCC 8482 at 2.12 A resolution To be published 0 0 0 0 4DAD Crystal structure of a Putative pilus assembly-related protein (BPSS2195) from Burkholderia pseudomallei K96243 at 2.50 A resolution (PSI Community Target, Shapiro L.) 2012-01-12 2012-01-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative pilus assembly-related protein (BPSS2195) from Burkholderia pseudomallei K96243 at 2.50 A resolution (PSI Community Target, Shapiro L.) To be Published 0 0 0 0 3V6R 22284361 Discovery of potent and selective covalent inhibitors of JNK 2011-12-20 2012-02-01 Zhang, T.,Inesta-Vaquera, F.,Niepel, M.,Zhang, J.,Ficarro, S.B.,Machleidt, T.,Xie, T.,Marto, J.A.,Kim, N.,Sim, T.,Laughlin, J.D.,Park, H.,LoGrasso, P.V.,Patricelli, M.,Nomanbhoy, T.K.,Sorger, P.K.,Alessi, D.R.,Gray, N.S. Discovery of potent and selective covalent inhibitors of JNK. Chem.Biol. 2012 19 140 154 3V6S 22284361 Discovery of potent and selective covalent inhibitors of JNK 2011-12-20 2012-02-01 Zhang, T.,Inesta-Vaquera, F.,Niepel, M.,Zhang, J.,Ficarro, S.B.,Machleidt, T.,Xie, T.,Marto, J.A.,Kim, N.,Sim, T.,Laughlin, J.D.,Park, H.,LoGrasso, P.V.,Patricelli, M.,Nomanbhoy, T.K.,Sorger, P.K.,Alessi, D.R.,Gray, N.S. Discovery of potent and selective covalent inhibitors of JNK. Chem.Biol. 2012 19 140 154 3UB1 22150951 Ntf2 like protein involved in plasmid conjugation 2011-10-22 2012-02-08 Porter, C.J.,Bantwal, R.,Bannam, T.L.,Rosado, C.J.,Pearce, M.C.,Adams, V.,Lyras, D.,Whisstock, J.C.,Rood, J.I. The conjugation protein TcpC from Clostridium perfringens is structurally related to the type IV secretion system protein VirB8 from Gram-negative bacteria. Mol.Microbiol. 2012 83 275 288 4DF9 Crystal structure of a putative peptidase (BF3526) from Bacteroides fragilis NCTC 9343 at 2.17 A resolution 2012-01-23 2012-02-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative peptidase (BF3526) from Bacteroides fragilis NCTC 9343 at 2.17 A resolution To be published 0 0 0 0 3RTQ 22301545 Structure of the mouse CD1d-HS44-iNKT TCR complex 2011-05-03 2012-02-22 Kerzerho, J.,Yu, E.D.,Barra, C.M.,Alari-Pahisa, E.,Girardi, E.,Harrak, Y.,Lauzurica, P.,Llebaria, A.,Zajonc, D.M.,Akbari, O.,Castano, A.R. Structural and functional characterization of a novel nonglycosidic type I NKT agonist with immunomodulatory properties. J.Immunol. 2012 188 2254 2265 4DLQ 22333914 Crystal structure of the GAIN and HormR domains of CIRL 1/Latrophilin 1 (CL1) 2012-02-06 2012-02-22 Arac, D.,Boucard, A.A.,Bolliger, M.F.,Nguyen, J.,Soltis, S.M.,Sudhof, T.C.,Brunger, A.T. A novel evolutionarily conserved domain of cell-adhesion GPCRs mediates autoproteolysis. Embo J. 2012 31 1364 1378 3V44 22344444 Crystal structure of the N-terminal fragment of zebrafish TLR5 2011-12-14 2012-02-29 Yoon, S.I.,Kurnasov, O.,Natarajan, V.,Hong, M.,Gudkov, A.V.,Osterman, A.L.,Wilson, I.A. Structural basis of TLR5-flagellin recognition and signaling. Science 2012 335 859 864 4DN6 Crystal structure of a putative pilus assembly protein (cpaE) from Burkholderia thailandensis E264 at 2.80 A resolution 2012-02-08 2012-02-29 Joint Center for Structural Genomics (JCSG),Shapiro, L. Crystal structure of a putative pilus assembly protein (cpaE) from Burkholderia thailandensis E264 at 2.80 A resolution To be published 0 0 0 0 3RG2 22365602 Structure of a two-domain NRPS fusion protein containing the EntE adenylation domain and EntB aryl-carrier protein from enterobactin biosynthesis 2011-04-07 2012-03-07 Sundlov, J.A.,Shi, C.,Wilson, D.J.,Aldrich, C.C.,Gulick, A.M. Structural and Functional Investigation of the Intermolecular Interaction between NRPS Adenylation and Carrier Protein Domains. Chem.Biol. 2012 19 188 198 3SX9 22369268 Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-132 2011-07-14 2012-03-14 Larson, E.T.,Ojo, K.K.,Murphy, R.C.,Johnson, S.M.,Zhang, Z.,Kim, J.E.,Leibly, D.J.,Fox, A.M.,Reid, M.C.,Dale, E.J.,Perera, B.G.,Kim, J.,Hewitt, S.N.,Hol, W.G.,Verlinde, C.L.,Fan, E.,Van Voorhis, W.C.,Maly, D.J.,Merritt, E.A. Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem. 2012 55 2803 2810 3T3U 22369268 Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130 2011-07-25 2012-03-14 Larson, E.T.,Ojo, K.K.,Murphy, R.C.,Johnson, S.M.,Zhang, Z.,Kim, J.E.,Leibly, D.J.,Fox, A.M.,Reid, M.C.,Dale, E.J.,Perera, B.G.,Kim, J.,Hewitt, S.N.,Hol, W.G.,Verlinde, C.L.,Fan, E.,Van Voorhis, W.C.,Maly, D.J.,Merritt, E.A. Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. J.Med.Chem. 2012 55 2803 2810 4D8P 22362761 Structural and functional studies of the trans-encoded HLA-DQ2.3 (DQA1*03:01/DQB1*02:01) molecule 2012-01-11 2012-03-14 Tollefsen, S.,Hotta, K.,Chen, X.,Simonsen, B.,Swaminathan, K.,Mathews, I.I.,Sollid, L.M.,Kim, C.-Y. Structural and functional studies of trans-encoded HLA-DQ2.3 (DQA1*03:01/DQB1*02:01) protein molecule J.Biol.Chem. 2012 287 13611 13619 3RXX 22330909 KPC-2 carbapenemase in complex with 3-NPBA 2011-05-10 2012-03-21 Ke, W.,Bethel, C.R.,Papp-Wallace, K.M.,Pagadala, S.R.,Nottingham, M.,Fernandez, D.,Buynak, J.D.,Bonomo, R.A.,van den Akker, F. Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226. Antimicrob.Agents Chemother. 2012 56 2713 2718 4E2E Crystal structure of a tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide (YWHAG) from Homo sapiens at 2.25 A resolution 2012-03-08 2012-03-21 Joint Center for Structural Genomics (JCSG),Partnership for T-Cell Biology (TCELL) Crystal structure of a tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activa tion protein, gamma polypeptide (YWHAG) from Homo sapiens at 2.25 A resolution To be published 0 0 0 0 4D9S 22323738 Crystal structure of Arabidopsis thaliana UVR8 (UV Resistance locus 8) 2012-01-11 2012-04-04 Christie, J.M.,Arvai, A.S.,Baxter, K.J.,Heilmann, M.,Pratt, A.J.,O'Hara, A.,Kelly, S.M.,Hothorn, M.,Smith, B.O.,Hitomi, K.,Jenkins, G.I.,Getzoff, E.D. Plant UVR8 Photoreceptor Senses UV-B by Tryptophan-Mediated Disruption of Cross-Dimer Salt Bridges. Science 2012 335 1492 1496 4DSO 22431598 Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity 2012-02-19 2012-04-04 Maurer, T.,Garrenton, L.S.,Oh, A.,Pitts, K.,Anderson, D.J.,Skelton, N.J.,Fauber, B.P.,Pan, B.,Malek, S.,Stokoe, D.,Ludlam, M.J.,Bowman, K.K.,Wu, J.,Giannetti, A.M.,Starovasnik, M.A.,Mellman, I.,Jackson, P.K.,Rudolph, J.,Wang, W.,Fang, G. Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA 2012 109 5299 5304 4E5V Crystal structure of a Putative thua-like protein (PARMER_02418) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution 2012-03-14 2012-04-04 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative thua-like protein (PARMER_02418) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution To be published 0 0 0 0 3QB1 22446627 Interleukin-2 mutant D10 2011-01-12 2012-04-11 Levin, A.M.,Bates, D.L.,Ring, A.M.,Krieg, C.,Lin, J.T.,Su, L.,Moraga, I.,Raeber, M.E.,Bowman, G.R.,Novick, P.,Pande, V.S.,Fathman, C.G.,Boyman, O.,Garcia, K.C. Exploiting a natural conformational switch to engineer an interleukin-2 'superkine' Nature 2012 484 529 533 3SYT 22280445 Crystal structure of glutamine-dependent NAD+ synthetase from M. tuberculosis bound to AMP/PPi, NAD+, and glutamate 2011-07-18 2012-04-11 Chuenchor, W.,Doukov, T.I.,Resto, M.,Chang, A.,Gerratana, B. Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase. Biochem.J. 2012 443 417 426 3SO6 22509010 Crystal structure of the LDL receptor tail in complex with autosomal recessive hypercholesterolemia PTB domain 2011-06-29 2012-04-18 Dvir, H.,Shah, M.,Girardi, E.,Guo, L.,Farquhar, M.G.,Zajonc, D.M. Atomic structure of the autosomal recessive hypercholesterolemia phosphotyrosine-binding domain in complex with the LDL-receptor tail. Proc.Natl.Acad.Sci.USA 2012 109 6916 6921 4E0S 22500023 Crystal Structure of C5b-6 2012-03-05 2012-04-18 Aleshin, A.E.,Discipio, R.G.,Stec, B.,Liddington, R.C. Crystal structure of c5b-6 suggests structural basis for priming assembly of the membrane attack complex. J.Biol.Chem. 2012 287 19642 19652 4EF1 Crystal structure of a pheromone cOB1 precursor/lipoprotein, YaeC family (EF2496) from Enterococcus faecalis V583 at 1.90 A resolution 2012-03-28 2012-04-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a pheromone cOB1 precursor/lipoprotein, YaeC family (EF2496) from Enterococcus faecalis V583 at 1.90 A resolution To be published 0 0 0 0 4EF2 Crystal structure of a pheromone cOB1 precursor/lipoprotein, YaeC family (EF2496) from Enterococcus faecalis V583 at 2.10 A resolution 2012-03-28 2012-04-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a pheromone cOB1 precursor/lipoprotein, YaeC family (EF2496) from Enterococcus faecalis V583 at 2.10 A resolution To be published 0 0 0 0 4DWE Crystal structure of a putative polysaccharide deacetylase (BACOVA_03992) from Bacteroides ovatus ATCC 8483 at 2.01 A resolution 2012-02-24 2012-05-02 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACOVA_03992) from Bacteroides ovatus ATCC 8483 at 2.01 A resolution To be published 0 0 0 0 4E0E Crystal structure of a DUF4450 family protein (BT_4147) from Bacteroides thetaiotaomicron VPI-5482 at 2.90 A resolution 2012-03-02 2012-05-02 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BT_4147) from Bacteroides thetaiotaomicron VPI-5482 at 2.90 A resolution To be published 0 0 0 0 3SXI 22542586 Crystal structure of sulfide:quinone oxidoreductase Cys128Ala variant from Acidithiobacillus ferrooxidans complexed with decylubiquinone 2011-07-14 2012-05-16 Cherney, M.M.,Zhang, Y.,James, M.N.,Weiner, J.H. Structure-activity characterization of sulfide:quinone oxidoreductase variants. J.Struct.Biol. 2012 178 319 328 3T14 22542586 Crystal structure of sulfide:quinone oxidoreductase Cys128Ala variant from Acidithiobacillus ferrooxidans with bound disulfide 2011-07-21 2012-05-16 Cherney, M.M.,Zhang, Y.,James, M.N.,Weiner, J.H. Structure-activity characterization of sulfide:quinone oxidoreductase variants. J.Struct.Biol. 2012 178 319 328 3T2K 22542586 Crystal structure of sulfide:quinone oxidoreductase Cys128Ala variant from Acidithiobacillus ferrooxidans with bound trisulfane 2011-07-22 2012-05-16 Cherney, M.M.,Zhang, Y.,James, M.N.,Weiner, J.H. Structure-activity characterization of sulfide:quinone oxidoreductase variants. J.Struct.Biol. 2012 178 319 328 3T2Y 22542586 Crystal structure of sulfide:quinone oxidoreductase His132Ala variant from Acidithiobacillus ferrooxidans with bound disulfide 2011-07-23 2012-05-16 Cherney, M.M.,Zhang, Y.,James, M.N.,Weiner, J.H. Structure-activity characterization of sulfide:quinone oxidoreductase variants. J.Struct.Biol. 2012 178 319 328 3UXU 22593158 The structure of the catalytic domain of the Sulfolobus Spindle-shaped viral integrase reveals an evolutionarily conserved catalytic core and supports a mechanism of DNA cleavage in trans 2011-12-05 2012-05-16 Eilers, B.J.,Young, M.J.,Lawrence, C.M. The Structure of an Archaeal Viral Integrase Reveals an Evolutionarily Conserved Catalytic Core yet Supports a Mechanism of DNA Cleavage in trans. J.Virol. 2012 86 8309 8313 3UXU 22593158 The structure of the catalytic domain of the Sulfolobus Spindle-shaped viral integrase reveals an evolutionarily conserved catalytic core and supports a mechanism of DNA cleavage in trans 2011-12-05 2012-05-16 Eilers, B.J.,Young, M.J.,Lawrence, C.M. The Structure of an Archaeal Viral Integrase Reveals an Evolutionarily Conserved Catalytic Core yet Supports a Mechanism of DNA Cleavage in trans. J.Virol. 2012 86 8309 8313 4E9K Crystal structure of a DUF4465 family protein (BACOVA_04221) from Bacteroides ovatus ATCC 8483 at 2.31 A resolution 2012-03-21 2012-05-16 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACOVA_04221) from Bacteroides ovatus ATCC 8483 at 2.31 A resolution To be published 0 0 0 0 4EER 22573334 Crystal structure of LOV2 domain of Arabidopsis thaliana phototropin 2 C426A mutant 2012-03-28 2012-05-16 Christie, J.M.,Hitomi, K.,Arvai, A.S.,Hartfield, K.A.,Mettlen, M.,Pratt, A.J.,Tainer, J.A.,Getzoff, E.D. Structural Tuning of the Fluorescent Protein iLOV for Improved Photostability. J.Biol.Chem. 2012 287 22295 22304 3S3A 22607023 Structure of Thermus thermophilus cytochrome ba3 oxidase 120s after Xe depressurization 2011-05-18 2012-05-23 Luna, V.M.,Fee, J.A.,Deniz, A.A.,Stout, C.D. Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry 2012 51 4669 4676 3S3B 22607023 Structure of Thermus thermophilus cytochrome ba3 oxidase 240s after Xe depressurization 2011-05-18 2012-05-23 Luna, V.M.,Fee, J.A.,Deniz, A.A.,Stout, C.D. Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry 2012 51 4669 4676 3S3C 22607023 Structure of Thermus thermophilus cytochrome ba3 oxidase 360s after Xe depressurization 2011-05-18 2012-05-23 Luna, V.M.,Fee, J.A.,Deniz, A.A.,Stout, C.D. Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry 2012 51 4669 4676 3S3D 22607023 Structure of Thermus thermophilus cytochrome ba3 oxidase 480s after Xe depressurization 2011-05-18 2012-05-23 Luna, V.M.,Fee, J.A.,Deniz, A.A.,Stout, C.D. Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry 2012 51 4669 4676 4ECN Crystal structure of a leucine-rich repeat protein (BT_0210) from Bacteroides thetaiotaomicron VPI-5482 at 2.80 A resolution 2012-03-26 2012-05-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a leucine-rich repeat protein (BT_0210) from Bacteroides thetaiotaomicron VPI-5482 at 2.80 A resolution To be published 0 0 0 0 4ECO Crystal structure of a leucine-rich repeat protein (BACEGG_03329) from Bacteroides eggerthii DSM 20697 at 2.70 A resolution 2012-03-26 2012-05-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACEGG_03329) from Bacteroides eggerthii DSM 20697 at 2.70 A resolution To be published 0 0 0 0 4EUT 22619329 Structure of BX-795 Complexed with Unphosphorylated Human TBK1 Kinase-ULD Domain 2012-04-25 2012-05-23 Ma, X.,Helgason, E.,Phung, Q.T.,Quan, C.L.,Iyer, R.S.,Lee, M.W.,Bowman, K.K.,Starovasnik, M.A.,Dueber, E.C. Molecular basis of Tank-binding kinase 1 activation by transautophosphorylation. Proc.Natl.Acad.Sci.USA 2012 109 9378 9383 3S6P Crystal Structure of Helicoverpa Armigera Stunt Virus 2011-05-25 2012-05-30 Speir, J.A.,Natarajan, P.,Taylor, D.J.,Chen, Z.,Johnson, J.E. Crystal Structure of Helicoverpa armigera stunt virus To be Published 0 0 0 0 3TCT 22645360 Structure of wild-type TTR in complex with tafamidis 2011-08-09 2012-05-30 Bulawa, C.E.,Connelly, S.,Devit, M.,Wang, L.,Weigel, C.,Fleming, J.A.,Packman, J.,Powers, E.T.,Wiseman, R.L.,Foss, T.R.,Wilson, I.A.,Kelly, J.W.,Labaudiniere, R. Tafamidis, a potent and selective transthyretin kinetic stabilizer that inhibits the amyloid cascade. Proc.Natl.Acad.Sci.USA 2012 109 9629 9634 4D8B 22645124 High resolution structure of monomeric S. progenies SpeB reveals role of glycine-rich active site loop 2012-01-10 2012-06-06 Gonzalez-Paez, G.E.,Wolan, D.W. Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop. J.Biol.Chem. 2012 287 24412 24426 4D8E 22645124 High resolution structures of monomeric S. pyogenes SpeB reveals role of glycine-rich active site loop 2012-01-10 2012-06-06 Gonzalez-Paez, G.E.,Wolan, D.W. Ultrahigh and High Resolution Structures and Mutational Analysis of Monomeric Streptococcus pyogenes SpeB Reveal a Functional Role for the Glycine-rich C-terminal Loop. J.Biol.Chem. 2012 287 24412 24426 4E6E Crystal structure of a putative cell division protein FtsZ (Tfu_1113) from Thermobifida fusca YX-ER1 at 2.22 A resolution (PSI Community Target, van Wezel G.P.) 2012-03-15 2012-06-06 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative cell division protein FtsZ (Tfu_1113) from Thermobifida fusca YX-ER1 at 2.22 A resolution (PSI Community Target, van Wezel G.P.) To be Published 0 0 0 0 4EJG 22700965 Human Cytochrome P450 2A13 in complex with Nicotine 2012-04-06 2012-06-06 DeVore, N.M.,Scott, E.E. Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes. J.Biol.Chem. 2012 287 26576 26585 4ETQ 22623786 Vaccinia virus D8L IMV envelope protein in complex with Fab of murine IgG2a LA5 2012-04-24 2012-06-06 Matho, M.H.,Maybeno, M.,Benhnia, M.R.,Becker, D.,Meng, X.,Xiang, Y.,Crotty, S.,Peters, B.,Zajonc, D.M. Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5. J.Virol. 2012 86 8050 8058 4EMT 22728658 Crystal Structure of human STING bound to c-di-GMP 2012-04-12 2012-06-13 Shu, C.,Yi, G.,Watts, T.,Kao, C.C.,Li, P. Structure of STING bound to cyclic di-GMP reveals the mechanism of cyclic dinucleotide recognition by the immune system. Nat.Struct.Mol.Biol. 2012 19 722 724 4EMU 22728658 Crystal structure of ligand free human STING 2012-04-12 2012-06-13 Shu, C.,Yi, G.,Watts, T.,Kao, C.C.,Li, P. Structure of STING bound to cyclic di-GMP reveals the mechanism of cyclic dinucleotide recognition by the immune system. Nat.Struct.Mol.Biol. 2012 19 722 724 4EUW Crystal structure of a HMG domain of transcription factor SOX-9 bound to DNA (SOX-9/DNA) from Homo sapiens at 2.77 A resolution 2012-04-25 2012-06-13 Joint Center for Structural Genomics (JCSG),Partnership for Stem Cell Biology Crystal structure of a HMG domain of transcription factor SOX-9 bound to DNA (SOX-9/DNA) from Homo sapiens at 2.77 A resolution To be published 0 0 0 0 4F0A 22653731 Crystal structure of XWnt8 in complex with the cysteine-rich domain of Frizzled 8 2012-05-03 2012-06-13 Janda, C.Y.,Waghray, D.,Levin, A.M.,Thomas, C.,Garcia, K.C. Structural basis of Wnt recognition by Frizzled. Science 2012 337 59 64 4ENM 22658721 Crystal structure of S. pombe Atl1 in complex with damaged DNA containing O6-benzylguanine 2012-04-13 2012-06-20 Latypov, V.F.,Tubbs, J.L.,Watson, A.J.,Marriott, A.S.,McGown, G.,Thorncroft, M.,Wilkinson, O.J.,Senthong, P.,Butt, A.,Arvai, A.S.,Millington, C.L.,Povey, A.C.,Williams, D.M.,Santibanez-Koref, M.F.,Tainer, J.A.,Margison, G.P. Atl1 Regulates Choice between Global Genome and Transcription-Coupled Repair of O(6)-Alkylguanines. Mol.Cell 2012 47 50 60 4EXR Crystal structure of a putative lipoprotein (CD1622) from Clostridium difficile 630 at 1.85 A resolution 2012-04-30 2012-06-27 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative lipoprotein (CD1622) from Clostridium difficile 630 at 1.85 A resolution To be published 0 0 0 0 4E6F Crystal structure of a DUF4468 family protein (BACOVA_04320) from Bacteroides ovatus ATCC 8483 at 1.49 A resolution 2012-03-15 2012-07-04 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACOVA_04320) from Bacteroides ovatus ATCC 8483 at 1.49 A resolution To be published 0 0 0 0 4F3Z 22718832 Crystal structure of a swine H1N2 influenza virus hemagglutinin 2012-05-09 2012-07-04 Xu, R.,Zhu, X.,McBride, R.,Nycholat, C.M.,Yu, W.,Paulson, J.C.,Wilson, I.A. Functional Balance of the Hemagglutinin and Neuraminidase Activities Accompanies the Emergence of the 2009 H1N1 Influenza Pandemic. J.Virol. 2012 86 9221 9232 4EPZ Crystal structure of a transcription anti-terminator antagonist UpxZ (BACUNI_04315) from Bacteroides uniformis ATCC 8492 at 1.68 A resolution 2012-04-17 2012-07-11 Joint Center for Structural Genomics (JCSG) Crystal structure of a transcription anti-terminator antagonist UpxZ (BACUNI_04315) from Bacteroides uniformis ATCC 8492 at 1.68 A resolution To be published 0 0 0 0 4F53 Crystal structure of a susd homolog (BACOVA_04803) from Bacteroides ovatus ATCC 8483 at 2.25 A resolution 2012-05-11 2012-07-11 Joint Center for Structural Genomics (JCSG) Crystal structure of a susd homolog (BACOVA_04803) from Bacteroides ovatus ATCC 8483 at 2.25 A resolution To be published 0 0 0 0 3UC7 22802678 Trp-cage cyclo-TC1 - monoclinic crystal form 2011-10-26 2012-07-18 Scian, M.,Lin, J.C.,Le Trong, I.,Makhatadze, G.I.,Stenkamp, R.E.,Andersen, N.H. Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction. Proc.Natl.Acad.Sci.USA 2012 109 12521 12525 4FSS Crystal structure of a RAS p21 protein activator (RASA1) from Homo sapiens at 2.25 A resolution 2012-06-27 2012-07-18 Joint Center for Structural Genomics (JCSG),Partnership for T-Cell Biology (TCELL) Crystal structure of a RAS p21 protein activator (RASA1) from Homo sapiens at 2.25 A resolution To be published 0 0 0 0 4FD0 Crystal structure of a putative cell surface protein (BACCAC_03700) from Bacteroides caccae ATCC 43185 at 2.07 A resolution 2012-05-25 2012-07-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a leucine rich hypothetical protein (BACCAC_03700) from Bacteroides caccae ATCC 43185 at 2.07 A resolution (CASP Target) To be published 0 0 0 0 4FDY 24051416 Crystal structure of a similar to lipoprotein, NLP/P60 family (SAV0400) from Staphylococcus aureus subsp. aureus Mu50 at 2.23 A resolution 2012-05-29 2012-07-25 Xu, Q.,Chiu, H.J.,Farr, C.L.,Jaroszewski, L.,Knuth, M.W.,Miller, M.D.,Lesley, S.A.,Godzik, A.,Elsliger, M.A.,Deacon, A.M.,Wilson, I.A. Structures of a Bifunctional Cell Wall Hydrolase CwlT Containing a Novel Bacterial Lysozyme and an NlpC/P60 dl-Endopeptidase. J.Mol.Biol. 2014 426 169 184 4FJ6 Crystal structure of a glycoside hydrolase family 33, candidate sialidase (BDI_2946) from Parabacteroides distasonis ATCC 8503 at 1.90 A resolution 2012-06-11 2012-07-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a glycoside hydrolase family 33, candidate sialidase (BDI_2946) from Parabacteroides distasonis ATCC 8503 at 1.90 A resolution To be published 0 0 0 0 4FMZ Crystal structure of an internalin (inlF) from Listeria monocytogenes str. 4b F2365 at 1.91 A resolution 2012-06-18 2012-07-25 Joint Center for Structural Genomics (JCSG) Crystal structure of an internalin (inlF) from Listeria monocytogenes str. 4b F2365 at 1.91 A resolution To be published 0 0 0 0 3UR5 22809162 Crystal Structure of PTE mutant K185R/I274N 2011-11-21 2012-08-01 Tsai, P.C.,Fox, N.,Bigley, A.N.,Harvey, S.P.,Barondeau, D.P.,Raushel, F.M. Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry 2012 51 6463 6475 3URA 22809162 Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T 2011-11-21 2012-08-01 Tsai, P.C.,Fox, N.,Bigley, A.N.,Harvey, S.P.,Barondeau, D.P.,Raushel, F.M. Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry 2012 51 6463 6475 3URB 22809162 Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H 2011-11-21 2012-08-01 Tsai, P.C.,Fox, N.,Bigley, A.N.,Harvey, S.P.,Barondeau, D.P.,Raushel, F.M. Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry 2012 51 6463 6475 4G6S 22989273 Minimal Hairpin Ribozyme in the Transition State with A38P Variation 2012-07-19 2012-08-08 Liberman, J.A.,Guo, M.,Jenkins, J.L.,Krucinska, J.,Chen, Y.,Carey, P.R.,Wedekind, J.E. A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis. J.Am.Chem.Soc. 2012 134 16933 16936 3TDA 25555909 Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 2011-08-10 2012-08-15 Wang, A.,Stout, C.D.,Zhang, Q.,Johnson, E.F. Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem. 2015 290 5092 5104 4G3D 22921830 Crystal structure of human NF-kappaB inducing kinase (NIK) 2012-07-13 2012-08-15 de Leon-Boenig, G.,Bowman, K.K.,Feng, J.A.,Crawford, T.,Everett, C.,Franke, Y.,Oh, A.,Stanley, M.,Staben, S.T.,Starovasnik, M.A.,Wallweber, H.J.,Wu, J.,Wu, L.C.,Johnson, A.R.,Hymowitz, S.G. The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site. Structure 2012 20 1704 1714 4G6P 22989273 Minimal Hairpin Ribozyme in the Precatalytic State with A38P Variation 2012-07-19 2012-08-15 Liberman, J.A.,Guo, M.,Jenkins, J.L.,Krucinska, J.,Chen, Y.,Carey, P.R.,Wedekind, J.E. A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis. J.Am.Chem.Soc. 2012 134 16933 16936 4G6R 22989273 Minimal Hairpin Ribozyme in the Transition State with G8I Variation 2012-07-19 2012-08-15 Liberman, J.A.,Guo, M.,Jenkins, J.L.,Krucinska, J.,Chen, Y.,Carey, P.R.,Wedekind, J.E. A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis. J.Am.Chem.Soc. 2012 134 16933 16936 4FQJ 22878502 Influenza B/Florida/4/2006 hemagglutinin Fab CR8071 complex 2012-06-25 2012-08-22 Dreyfus, C.,Laursen, N.S.,Kwaks, T.,Zuijdgeest, D.,Khayat, R.,Ekiert, D.C.,Lee, J.H.,Metlagel, Z.,Bujny, M.V.,Jongeneelen, M.,van der Vlugt, R.,Lamrani, M.,Korse, H.J.,Geelen, E.,Sahin, O.,Sieuwerts, M.,Brakenhoff, J.P.,Vogels, R.,Li, O.T.,Poon, L.L.,Peiris, M.,Koudstaal, W.,Ward, A.B.,Wilson, I.A.,Goudsmit, J.,Friesen, R.H. Highly conserved protective epitopes on influenza B viruses. Science 2012 337 1343 1348 4FQK 22878502 Influenza B/Brisbane/60/2008 hemagglutinin Fab CR8059 complex 2012-06-25 2012-08-22 Dreyfus, C.,Laursen, N.S.,Kwaks, T.,Zuijdgeest, D.,Khayat, R.,Ekiert, D.C.,Lee, J.H.,Metlagel, Z.,Bujny, M.V.,Jongeneelen, M.,van der Vlugt, R.,Lamrani, M.,Korse, H.J.,Geelen, E.,Sahin, O.,Sieuwerts, M.,Brakenhoff, J.P.,Vogels, R.,Li, O.T.,Poon, L.L.,Peiris, M.,Koudstaal, W.,Ward, A.B.,Wilson, I.A.,Goudsmit, J.,Friesen, R.H. Highly conserved protective epitopes on influenza B viruses. Science 2012 337 1343 1348 4FQM 22878502 Structure of B/Brisbane/60/2008 Influenza Hemagglutinin 2012-06-25 2012-08-22 Dreyfus, C.,Laursen, N.S.,Kwaks, T.,Zuijdgeest, D.,Khayat, R.,Ekiert, D.C.,Lee, J.H.,Metlagel, Z.,Bujny, M.V.,Jongeneelen, M.,van der Vlugt, R.,Lamrani, M.,Korse, H.J.,Geelen, E.,Sahin, O.,Sieuwerts, M.,Brakenhoff, J.P.,Vogels, R.,Li, O.T.,Poon, L.L.,Peiris, M.,Koudstaal, W.,Ward, A.B.,Wilson, I.A.,Goudsmit, J.,Friesen, R.H. Highly conserved protective epitopes on influenza B viruses. Science 2012 337 1343 1348 4GHB Crystal structure of a porin-like protein (BACUNI_01323) from Bacteroides uniformis ATCC 8492 at 2.32 A resolution 2012-08-07 2012-08-29 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_01323) from Bacteroides uniformis ATCC 8492 at 2.32 A resolution To be published 0 0 0 0 4GL3 Crystal structure of a putative glucoamylase (BACUNI_03963) from Bacteroides uniformis ATCC 8492 at 2.01 A resolution 2012-08-13 2012-08-29 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative glucoamylase (BACUNI_03963) from Bacteroides uniformis ATCC 8492 at 2.01 A resolution To be published 0 0 0 0 3TMZ 22909231 Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine 2011-09-01 2012-09-12 Shah, M.B.,Wilderman, P.R.,Pascual, J.,Zhang, Q.,Stout, C.D.,Halpert, J.R. Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules. Biochemistry 2012 51 7225 7238 4DNN 22982292 Crystal structure of the Quaking Qua1 homodimerization domain 2012-02-08 2012-09-12 Beuck, C.,Qu, S.,Fagg, W.S.,Ares, M.,Williamson, J.R. Structural Analysis of the Quaking Homodimerization Interface. J.Mol.Biol. 2012 423 766 781 4EG7 22902861 Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1331 2012-03-30 2012-09-12 Koh, C.Y.,Kim, J.E.,Shibata, S.,Ranade, R.M.,Yu, M.,Liu, J.,Gillespie, J.R.,Buckner, F.S.,Verlinde, C.L.,Fan, E.,Hol, W.G. Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure 2012 20 1681 1691 4FNK 22982990 Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin 2012-06-19 2012-09-19 Ekiert, D.C.,Kashyap, A.K.,Steel, J.,Rubrum, A.,Bhabha, G.,Khayat, R.,Lee, J.H.,Dillon, M.A.,O'Neil, R.E.,Faynboym, A.M.,Horowitz, M.,Horowitz, L.,Ward, A.B.,Palese, P.,Webby, R.,Lerner, R.A.,Bhatt, R.R.,Wilson, I.A. Cross-neutralization of influenza A viruses mediated by a single antibody loop. Nature 2012 489 526 532 4G5A Crystal structure of a putative member of duf 3244 protein family (BT_1867) from Bacteroides thetaiotaomicron VPI-5482 at 1.69 A resolution 2012-07-17 2012-09-19 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative member of duf 3244 protein family (BT_1867) from Bacteroides thetaiotaomicron VPI-5482 at 1.69 A resolution To be published 0 0 0 0 4GOQ Crystal structure of a DUF1491 family protein (CC_1065) from Caulobacter crescentus CB15 at 1.87 A resolution 2012-08-20 2012-09-19 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (CC_1065) from Caulobacter crescentus CB15 at 1.87 A resolution To be published 0 0 0 0 4G6A 22973046 Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody AP33 2012-07-18 2012-09-26 Kong, L.,Giang, E.,Nieusma, T.,Robbins, J.B.,Deller, M.C.,Stanfield, R.L.,Wilson, I.A.,Law, M. Structure of Hepatitis C Virus Envelope Glycoprotein E2 Antigenic Site 412 to 423 in Complex with Antibody AP33. J.Virol. 2012 86 13085 13088 4GDI 23012478 A subtype N10 neuraminidase-like protein of A/little yellow-shouldered bat/Guatemala/164/2009 2012-07-31 2012-09-26 Zhu, X.,Yang, H.,Guo, Z.,Yu, W.,Carney, P.J.,Li, Y.,Chen, L.M.,Paulson, J.C.,Donis, R.O.,Tong, S.,Stevens, J.,Wilson, I.A. Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site. Proc.Natl.Acad.Sci.USA 2012 109 18903 18908 3U16 23437866 Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzyloxy)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid. 2011-09-29 2012-10-03 Neres, J.,Engelhart, C.A.,Drake, E.J.,Wilson, D.J.,Fu, P.,Boshoff, H.I.,Barry 3rd, C.E.,Gulick, A.M.,Aldrich, C.C. Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii. J.Med.Chem. 2013 56 2385 2405 3U17 23437866 Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid 2011-09-29 2012-10-03 Neres, J.,Engelhart, C.A.,Drake, E.J.,Wilson, D.J.,Fu, P.,Boshoff, H.I.,Barry 3rd, C.E.,Gulick, A.M.,Aldrich, C.C. Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii. J.Med.Chem. 2013 56 2385 2405 4GOT Crystal structure of a putative methionine-binding lipoprotein (BSU32730) from Bacillus subtilis subsp. subtilis str. 168 at 1.95 A resolution 2012-08-20 2012-10-10 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative methionine-binding lipoprotein (BSU32730) from Bacillus subtilis subsp. subtilis str. 168 at 1.95 A resolution To be published 0 0 0 0 4H41 Crystal structure of a putative alpha-L-fucosidase (BT_0435) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution 2012-09-14 2012-10-10 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative alpha-L-fucosidase (BT_0435) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution To be published 0 0 0 0 4H87 Crystal structure of a FHA domain of kanadaptin (SLC4A1AP) from Homo sapiens at 1.55 A resolution 2012-09-21 2012-10-10 Joint Center for Structural Genomics (JCSG) Crystal structure of a FHA domain of kanadaptin (SLC4A1AP) from Homo sapiens at 1.55 A resolution To be published 0 0 0 0 4GZQ 23015718 N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with sialic acid 2012-09-06 2012-10-17 Zhu, X.,McBride, R.,Nycholat, C.M.,Yu, W.,Paulson, J.C.,Wilson, I.A. Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors. J.Virol. 2012 86 13371 13383 4H08 Crystal structure of a putative hydrolase (BT3161) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution 2012-09-07 2012-10-17 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative hydrolase (BT3161) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution To be published 0 0 0 0 4H1X Crystal structure of a phosphate ABC transporter, phosphate-binding protein (SP_2084) from Streptococcus pneumoniae TIGR4 at 1.77 A resolution 2012-09-11 2012-10-17 Joint Center for Structural Genomics (JCSG) Crystal structure of a phosphate ABC transporter, phosphate-binding protein (SP_2084) from Streptococcus pneumoniae TIGR4 at 1.77 A resolution To be published 0 0 0 0 4GQQ 23050660 Human pancreatic alpha-amylase with bound ethyl caffeate 2012-08-23 2012-10-24 Williams, L.K.,Li, C.,Withers, S.G.,Brayer, G.D. Order and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target. J.Med.Chem. 2012 55 10177 10186 4GQR 23050660 Human Pancreatic alpha-amylase in complex with myricetin 2012-08-23 2012-10-24 Williams, L.K.,Li, C.,Withers, S.G.,Brayer, G.D. Order and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target. J.Med.Chem. 2012 55 10177 10186 4HBS Crystal structure of a putative hydrolase (BACOVA_04882) from Bacteroides ovatus ATCC 8483 at 2.80 A resolution 2012-09-28 2012-10-24 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative hydrolase (BACOVA_04882) from Bacteroides ovatus ATCC 8483 at 2.80 A resolution To be published 0 0 0 0 4HF7 Crystal structure of a GDSL-like lipase (BT0569) from Bacteroides thetaiotaomicron VPI-5482 at 1.77 A resolution 2012-10-05 2012-10-24 Joint Center for Structural Genomics (JCSG) Crystal structure of a GDSL-like lipase (BT0569) from Bacteroides thetaiotaomicron VPI-5482 at 1.77 A resolution To be published 0 0 0 0 4GWP 23071300 Structure of the Mediator Head Module from S. cerevisiae 2012-09-03 2012-10-31 Robinson, P.J.,Bushnell, D.A.,Trnka, M.J.,Burlingame, A.L.,Kornberg, R.D. Structure of the Mediator Head module bound to the carboxy-terminal domain of RNA polymerase II. Proc.Natl.Acad.Sci.USA 2012 109 17931 17935 4GWQ 23071300 Structure of the Mediator Head Module from S. cerevisiae in complex with the carboxy-terminal domain (CTD) of RNA Polymerase II Rpb1 subunit 2012-09-03 2012-10-31 Robinson, P.J.,Bushnell, D.A.,Trnka, M.J.,Burlingame, A.L.,Kornberg, R.D. Structure of the Mediator Head module bound to the carboxy-terminal domain of RNA polymerase II. Proc.Natl.Acad.Sci.USA 2012 109 17931 17935 4F7E 23110152 Crystal structure of bovine CD1d with bound C16:0-alpha-galactosyl ceramide 2012-05-15 2012-11-14 Wang, J.,Guillaume, J.,Pauwels, N.,Van Calenbergh, S.,Van Rhijn, I.,Zajonc, D.M. Crystal Structures of Bovine CD1d Reveal Altered αGalCer Presentation and a Restricted A' Pocket Unable to Bind Long-Chain Glycolipids. Plos One 2012 7 0 0 4GQS 23118231 Structure of Human Microsomal Cytochrome P450 (CYP) 2C19 2012-08-23 2012-11-14 Reynald, R.L.,Sansen, S.,Stout, C.D.,Johnson, E.F. Structural Characterization of Human Cytochrome P450 2C19: ACTIVE SITE DIFFERENCES BETWEEN P450s 2C8, 2C9, AND 2C19. J.Biol.Chem. 2012 287 44581 44591 4H3W Crystal structure of a putative secreted protein (BDI_1231) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution 2012-09-14 2012-11-14 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BDI_1231) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution To be published 0 0 0 0 4FO2 23151625 Heat-labile enterotoxin LT-IIb-B5(T13I) mutant 2012-06-20 2012-11-21 Cody, V.,Pace, J.,Nawar, H.F.,King-Lyons, N.,Liang, S.,Connell, T.D.,Hajishengallis, G. Structure-activity correlations of variant forms of the B pentamer of Escherichia coli type II heat-labile enterotoxin LT-IIb with Toll-like receptor 2 binding. Acta Crystallogr.,Sect.D 2012 68 1604 1612 4H36 23142346 Crystal Structure of JNK3 in Complex with ATF2 Peptide 2012-09-13 2012-11-21 Laughlin, J.D.,Nwachukwu, J.C.,Figuera-Losada, M.,Cherry, L.,Nettles, K.W.,Lograsso, P.V. Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases. Structure 2012 20 2174 2184 4H39 23142346 Crystal Structure of JNK3 in Complex with JIP1 Peptide 2012-09-13 2012-11-21 Laughlin, J.D.,Nwachukwu, J.C.,Figuera-Losada, M.,Cherry, L.,Nettles, K.W.,Lograsso, P.V. Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases. Structure 2012 20 2174 2184 4H3B 23142346 Crystal Structure of JNK3 in Complex with SAB Peptide 2012-09-13 2012-11-21 Laughlin, J.D.,Nwachukwu, J.C.,Figuera-Losada, M.,Cherry, L.,Nettles, K.W.,Lograsso, P.V. Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases. Structure 2012 20 2174 2184 4HXC Crystal structure of a putative glycosyl hydrolase (BACUNI_00951) from Bacteroides uniformis ATCC 8492 at 2.15 A resolution 2012-11-09 2012-11-28 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative glycosyl hydrolase (BACUNI_00951) from Bacteroides uniformis ATCC 8492 at 2.15 A resolution To be published 0 0 0 0 4AN3 24900486 Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. 2012-03-15 2012-12-19 Rice, K.D.,Aay, N.,Anand, N.K.,Blazey, C.M.,Bowles, O.J.,Bussenius, J.,Costanzo, S.,Curtis, J.K.,Defina, S.C.,Dubenko, L.,Engst, S.,Joshi, A.A.,Kennedy, A.R.,Kim, A.I.,Koltun, E.S.,Lougheed, J.C.,Manalo, J.C.L.,Martini, J.F.,Nuss, J.M.,Peto, C.J.,Tsang, T.H.,Yu, P.,Johnston, S. Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett. 2012 3 416 0 4GXU 23236279 Crystal structure of antibody 1F1 bound to the 1918 influenza hemagglutinin 2012-09-04 2012-12-19 Tsibane, T.,Ekiert, D.C.,Krause, J.C.,Martinez, O.,Crowe, J.E.,Wilson, I.A.,Basler, C.F. Influenza Human Monoclonal Antibody 1F1 Interacts with Three Major Antigenic Sites and Residues Mediating Human Receptor Specificity in H1N1 Viruses. Plos Pathog. 2012 8 0 0 4GXV 23236279 Crystal structure of anti-influenza virus antibody 1F1 2012-09-04 2012-12-19 Tsibane, T.,Ekiert, D.C.,Krause, J.C.,Martinez, O.,Crowe, J.E.,Wilson, I.A.,Basler, C.F. Influenza Human Monoclonal Antibody 1F1 Interacts with Three Major Antigenic Sites and Residues Mediating Human Receptor Specificity in H1N1 Viruses. Plos Pathog. 2012 8 0 0 4HJI 23175654 Structure of the CooA pilin subunit from enterotoxigenic Escherichia coli 2012-10-12 2012-12-19 Galkin, V.E.,Kolappan, S.,Ng, D.,Zong, Z.,Li, J.,Yu, X.,Egelman, E.H.,Craig, L. The Structure of the CS1 Pilus of Enterotoxigenic Escherichia coli Reveals Structural Polymorphism. J.Bacteriol. 2013 195 1360 1370 4HDU 23112169 Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2-aminopurine 2012-10-02 2012-12-26 Wilkinson, O.J.,Latypov, V.,Tubbs, J.L.,Millington, C.L.,Morita, R.,Blackburn, H.,Marriott, A.,McGown, G.,Thorncroft, M.,Watson, A.J.,Connolly, B.A.,Grasby, J.A.,Masui, R.,Hunter, C.A.,Tainer, J.A.,Margison, G.P.,Williams, D.M. Alkyltransferase-like protein (Atl1) distinguishes alkylated guanines for DNA repair using cation-{pi} interactions. Proc.Natl.Acad.Sci.USA 2012 109 18755 18760 4HDV 23112169 Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2,6-diaminopurine 2012-10-02 2012-12-26 Wilkinson, O.J.,Latypov, V.,Tubbs, J.L.,Millington, C.L.,Morita, R.,Blackburn, H.,Marriott, A.,McGown, G.,Thorncroft, M.,Watson, A.J.,Connolly, B.A.,Grasby, J.A.,Masui, R.,Hunter, C.A.,Tainer, J.A.,Margison, G.P.,Williams, D.M. Alkyltransferase-like protein (Atl1) distinguishes alkylated guanines for DNA repair using cation-{pi} interactions. Proc.Natl.Acad.Sci.USA 2012 109 18755 18760 4FIA 23288837 Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound 2012-06-08 2013-01-09 Mast, N.,Zheng, W.,Stout, C.D.,Pikuleva, I.A. Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response. J.Biol.Chem. 2013 288 4613 4624 4HYZ Crystal structure of a DUF3887 family protein (RUMGNA_01855) from Ruminococcus gnavus ATCC 29149 at 2.25 A resolution 2012-11-14 2013-01-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (RUMGNA_01855) from Ruminococcus gnavus ATCC 29149 at 2.25 A resolution To be published 0 0 0 0 4ALW 22542012 Benzofuropyrimidinone Inhibitors of Pim-1 2012-03-05 2013-01-16 Tsuhako, A.L.,Brown, D.S.,Koltun, E.S.,Aay, N.,Arcalas, A.,Chan, V.,Du, H.,Engst, S.,Franzini, M.,Galan, A.,Huang, P.,Johnston, S.,Kane, B.,Kim, M.H.,Laird, A.D.,Lin, R.,Mock, L.,Ngan, I.,Pack, M.,Stott, G.,Stout, T.J.,Yu, P.,Zaharia, C.,Zhang, W.,Zhou, P.,Nuss, J.M.,Kearney, P.C.,Xu, W. The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett. 2012 22 3732 0 4HVH 23214979 JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl 2012-11-06 2013-01-16 Soth, M.,Hermann, J.C.,Yee, C.,Alam, M.,Barnett, J.W.,Berry, P.,Browner, M.F.,Frank, K.,Frauchiger, S.,Harris, S.,He, Y.,Hekmat-Nejad, M.,Hendricks, T.,Henningsen, R.,Hilgenkamp, R.,Ho, H.,Hoffman, A.,Hsu, P.Y.,Hu, D.Q.,Itano, A.,Jaime-Figueroa, S.,Jahangir, A.,Jin, S.,Kuglstatter, A.,Kutach, A.K.,Liao, C.,Lynch, S.,Menke, J.,Niu, L.,Patel, V.,Railkar, A.,Roy, D.,Shao, A.,Shaw, D.,Steiner, S.,Sun, Y.,Tan, S.L.,Wang, S.,Vu, M.D. 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models. J.Med.Chem. 2013 56 345 356 4IB2 Crystal structure of a putative lipoprotein (RUMGNA_00858) from Ruminococcus gnavus ATCC 29149 at 1.76 A resolution 2012-12-07 2013-01-16 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative lipoprotein (RUMGNA_00858) from Ruminococcus gnavus ATCC 29149 at 1.76 A resolution To be published 0 0 0 0 4IP7 23270483 Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP. 2013-01-09 2013-01-30 Holyoak, T.,Zhang, B.,Deng, J.,Tang, Q.,Prasannan, C.B.,Fenton, A.W. Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase. Biochemistry 2013 52 466 476 4DIR 2.6 Angstrom X-ray structure of human CA(2+)-S100A5 2012-01-31 2013-02-13 Liriano, M.A.,Varney, K.M.,Ishima, R.,Toth, E.A.,Weber, D.J. Target-binding to S100A5 changes Ca(2+)-binding affinity and dynamics. To be Published 0 0 0 0 4FI6 23350654 Kinetic Stabilization of transthyretin through covalent modification of K15 by 3-(5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide 2012-06-08 2013-02-20 Grimster, N.P.,Connelly, S.,Baranczak, A.,Dong, J.,Krasnova, L.B.,Sharpless, K.B.,Powers, E.T.,Wilson, I.A.,Kelly, J.W. Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate. J.Am.Chem.Soc. 2013 135 5656 5668 3ZP8 23711504 HIGH-RESOLUTION FULL-LENGTH HAMMERHEAD RIBOZYME 2013-02-26 2013-03-06 Anderson, M.,Schultz, E.,Martick, M.,Scott, W.G. Active-Site Monovalent Cations Revealed in a 1.55 A Resolution Hammerhead Ribozyme Structure J.Mol.Biol. 2013 425 3790 0 4J8Q Crystal structure of a NigD-like protein (BF0700) from Bacteroides fragilis NCTC 9343 at 2.50 A resolution 2013-02-14 2013-03-06 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BF0700) from Bacteroides fragilis NCTC 9343 at 2.50 A resolution To be published 0 0 0 0 3VZU 20351243 Crystal Structure of outer membrane protein PorB from Neisseria meningitidis in complex with AMP-PNP 2012-10-15 2013-03-13 Tanabe, M.,Nimigean, C.M.,Iverson, T.M. Structural basis for solute transport, nucleotide regulation, and immunological recognition of Neisseria meningitidis PorB. Proc.Natl.Acad.Sci.USA 2010 107 6811 6816 4J8P Crystal structure of a Putative flavoprotein (BACUNI_04544) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution 2013-02-14 2013-03-13 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative flavoprotein (BACUNI_04544) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution To be published 0 0 0 0 4HWL 23479627 Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-7 DMPC Bicelle 2012-11-08 2013-03-20 Lee, S.C.,Bennett, B.C.,Hong, W.X.,Fu, Y.,Baker, K.A.,Marcoux, J.,Robinson, C.V.,Ward, A.B.,Halpert, J.R.,Stevens, R.C.,Stout, C.D.,Yeager, M.J.,Zhang, Q. Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins. Proc.Natl.Acad.Sci.USA 2013 110 0 0 4HYX 23479627 Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-4 DMPC Bicelle 2012-11-14 2013-03-20 Lee, S.C.,Bennett, B.C.,Hong, W.X.,Fu, Y.,Baker, K.A.,Marcoux, J.,Robinson, C.V.,Ward, A.B.,Halpert, J.R.,Stevens, R.C.,Stout, C.D.,Yeager, M.J.,Zhang, Q. Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins. Proc.Natl.Acad.Sci.USA 2013 110 0 0 4JG5 27062925 Crystal structure of a putative cell adhesion protein (BDI_3519) from Parabacteroides distasonis ATCC 8503 at 2.34 A resolution (PSI Community Target, Nakayama) 2013-02-28 2013-03-20 Xu, Q.,Shoji, M.,Shibata, S.,Naito, M.,Sato, K.,Elsliger, M.A.,Grant, J.C.,Axelrod, H.L.,Chiu, H.J.,Farr, C.L.,Jaroszewski, L.,Knuth, M.W.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Curtis, M.A.,Nakayama, K.,Wilson, I.A. A Distinct Type of Pilus from the Human Microbiome. Cell 2016 165 690 703 4IU7 23524984 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b 2013-01-20 2013-03-27 Srinivasan, S.,Nwachukwu, J.C.,Parent, A.A.,Cavett, V.,Nowak, J.,Hughes, T.S.,Kojetin, D.J.,Katzenellenbogen, J.A.,Nettles, K.W. Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol. 2013 9 326 332 4IUI 23524984 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a 2013-01-21 2013-03-27 Srinivasan, S.,Nwachukwu, J.C.,Parent, A.A.,Cavett, V.,Nowak, J.,Hughes, T.S.,Kojetin, D.J.,Katzenellenbogen, J.A.,Nettles, K.W. Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol. 2013 9 326 332 4IV2 23524984 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a 2013-01-22 2013-03-27 Srinivasan, S.,Nwachukwu, J.C.,Parent, A.A.,Cavett, V.,Nowak, J.,Hughes, T.S.,Kojetin, D.J.,Katzenellenbogen, J.A.,Nettles, K.W. Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol. 2013 9 326 332 4IV4 23524984 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 5b 2013-01-22 2013-03-27 Srinivasan, S.,Nwachukwu, J.C.,Parent, A.A.,Cavett, V.,Nowak, J.,Hughes, T.S.,Kojetin, D.J.,Katzenellenbogen, J.A.,Nettles, K.W. Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol. 2013 9 326 332 4IVW 23524984 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b 2013-01-23 2013-03-27 Srinivasan, S.,Nwachukwu, J.C.,Parent, A.A.,Cavett, V.,Nowak, J.,Hughes, T.S.,Kojetin, D.J.,Katzenellenbogen, J.A.,Nettles, K.W. Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol. 2013 9 326 332 4IVY 23524984 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a 2013-01-23 2013-03-27 Srinivasan, S.,Nwachukwu, J.C.,Parent, A.A.,Cavett, V.,Nowak, J.,Hughes, T.S.,Kojetin, D.J.,Katzenellenbogen, J.A.,Nettles, K.W. Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol. 2013 9 326 332 4IW6 23524984 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b 2013-01-23 2013-03-27 Srinivasan, S.,Nwachukwu, J.C.,Parent, A.A.,Cavett, V.,Nowak, J.,Hughes, T.S.,Kojetin, D.J.,Katzenellenbogen, J.A.,Nettles, K.W. Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol. 2013 9 326 332 4IW8 23524984 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a 2013-01-23 2013-03-27 Srinivasan, S.,Nwachukwu, J.C.,Parent, A.A.,Cavett, V.,Nowak, J.,Hughes, T.S.,Kojetin, D.J.,Katzenellenbogen, J.A.,Nettles, K.W. Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol. 2013 9 326 332 4HS8 23458406 Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured antibody hu5B3.v3 2012-10-29 2013-04-03 Pantua, H.,Diao, J.,Ultsch, M.,Hazen, M.,Mathieu, M.,McCutcheon, K.,Takeda, K.,Date, S.,Cheung, T.K.,Phung, Q.,Hass, P.,Arnott, D.,Hongo, J.A.,Matthews, D.J.,Brown, A.,Patel, A.H.,Kelley, R.F.,Eigenbrot, C.,Kapadia, S.B. Glycan shifting on hepatitis C virus (HCV) e2 glycoprotein is a mechanism for escape from broadly neutralizing antibodies. J.Mol.Biol. 2013 425 1899 1914 4JHY Crystal structure of a TBP-like protein (BDI_3606) from Parabacteroides distasonis ATCC 8503 at 1.90 A resolution 2013-03-05 2013-04-03 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BDI_3606) from Parabacteroides distasonis ATCC 8503 at 1.90 A resolution To be published 0 0 0 0 4JM1 Crystal structure of a protein with alpha-lytic protease prodomain-like fold (BDI_0842) from Parabacteroides distasonis ATCC 8503 at 1.40 A resolution 2013-03-13 2013-04-03 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BDI_0842) from Parabacteroides distasonis ATCC 8503 at 1.40 A resolution To be published 0 0 0 0 4HLZ 23552413 Crystal Structure of Fab C179 in Complex with a H2N2 influenza virus hemagglutinin 2012-10-17 2013-04-17 Dreyfus, C.,Ekiert, D.C.,Wilson, I.A. Structure of a classical broadly neutralizing stem antibody in complex with a pandemic h2 influenza virus hemagglutinin. J.Virol. 2013 87 7149 7154 4JON Crystal structure of a centrosomal protein 170kDa, transcript variant beta (CEP170) from Homo sapiens at 2.15 A resolution (PSI Community Target, Sundstrom) 2013-03-18 2013-04-17 Joint Center for Structural Genomics (JCSG) Crystal structure of a centrosomal protein 170kDa, transcript variant beta (CEP170) from Homo sapiens at 2.15 A resolution (PSI Community Target, Sundstrom) To be published 0 0 0 0 4JPQ Crystal structure of a putative carbohydrate-binding protein (BACUNI_03838) from Bacteroides uniformis ATCC 8492 at 2.70 A resolution 2013-03-19 2013-04-17 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_03838) from Bacteroides uniformis ATCC 8492 at 2.70 A resolution To be published 0 0 0 0 4H3S 23583912 The Structure of Glutaminyl-tRNA Synthetase from Saccharomyces Cerevisiae 2012-09-14 2013-04-24 Grant, T.D.,Luft, J.R.,Wolfley, J.R.,Snell, M.E.,Tsuruta, H.,Corretore, S.,Quartley, E.,Phizicky, E.M.,Grayhack, E.J.,Snell, E.H. The Structure of Yeast Glutaminyl-tRNA Synthetase and Modeling of Its Interaction with tRNA. J.Mol.Biol. 2013 425 2480 2493 4JRL Crystal structure of a putative glycoside hydrolase (BACOVA_00087) from Bacteroides ovatus ATCC 8483 at 2.10 A resolution 2013-03-21 2013-04-24 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative glycoside hydrolase (BACOVA_00087) from Bacteroides ovatus ATCC 8483 at 2.10 A resolution To be published 0 0 0 0 4IOX 23596306 The structure of the herpes simplex virus DNA-packaging motor pUL15 C-terminal nuclease domain provides insights into cleavage of concatemeric viral genome precursors 2013-01-08 2013-05-01 Selvarajan Sigamani, S.,Zhao, H.,Kamau, Y.N.,Baines, J.D.,Tang, L. The Structure of the Herpes Simplex Virus DNA-Packaging Terminase pUL15 Nuclease Domain Suggests an Evolutionary Lineage among Eukaryotic and Prokaryotic Viruses. J.Virol. 2013 87 7140 7148 4J5P 23581831 Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase 2013-02-08 2013-05-01 Otrubova, K.,Brown, M.,McCormick, M.S.,Han, G.W.,O'Neal, S.T.,Cravatt, B.F.,Stevens, R.C.,Lichtman, A.H.,Boger, D.L. Rational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues. J.Am.Chem.Soc. 2013 135 6289 6299 4K4K 27062925 Crystal structure of a putative cell adhesion protein (BACUNI_00621) from Bacteroides uniformis ATCC 8492 at 1.67 A resolution 2013-04-12 2013-05-01 Xu, Q.,Shoji, M.,Shibata, S.,Naito, M.,Sato, K.,Elsliger, M.A.,Grant, J.C.,Axelrod, H.L.,Chiu, H.J.,Farr, C.L.,Jaroszewski, L.,Knuth, M.W.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Curtis, M.A.,Nakayama, K.,Wilson, I.A. A Distinct Type of Pilus from the Human Microbiome. Cell 2016 165 690 703 4K61 Crystal structure of a DUF2874 family protein (BACUNI_01296) from Bacteroides uniformis ATCC 8492 at 1.70 A resolution 2013-04-15 2013-05-01 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_01296) from Bacteroides uniformis ATCC 8492 at 1.70 A resolution To be published 0 0 0 0 4JQS Crystal structure of a Putative thua-like protein (BACUNI_01602) from Bacteroides uniformis ATCC 8492 at 2.30 A resolution 2013-03-20 2013-05-08 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_01602) from Bacteroides uniformis ATCC 8492 at 2.30 A resolution To be published 0 0 0 0 4JX2 Crystal structure of a putative secreted protein (lpg1979) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 2.65 A resolution 2013-03-27 2013-05-08 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (lpg1979) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 2.65 A resolution To be published 0 0 0 0 4JY5 23658524 Crystal structure of human Fab PGT122, a broadly reactive and potent HIV-1 neutralizing antibody 2013-03-29 2013-05-08 Julien, J.P.,Sok, D.,Khayat, R.,Lee, J.H.,Doores, K.J.,Walker, L.M.,Ramos, A.,Diwanji, D.C.,Pejchal, R.,Cupo, A.,Katpally, U.,Depetris, R.S.,Stanfield, R.L.,McBride, R.,Marozsan, A.J.,Paulson, J.C.,Sanders, R.W.,Moore, J.P.,Burton, D.R.,Poignard, P.,Ward, A.B.,Wilson, I.A. Broadly neutralizing antibody PGT121 allosterically modulates CD4 binding via recognition of the HIV-1 gp120 V3 base and multiple surrounding glycans. Plos Pathog. 2013 9 0 0 4JX0 Crystal structure of a two domain protein with unknown function (BF3416) from Bacteroides fragilis NCTC 9343 at 2.90 A resolution 2013-03-27 2013-05-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BF3416) from Bacteroides fragilis NCTC 9343 at 2.90 A resolution To be published 0 0 0 0 4JY4 23658524 Crystal structure of human Fab PGT121, a broadly reactive and potent HIV-1 neutralizing antibody 2013-03-29 2013-05-15 Julien, J.P.,Sok, D.,Khayat, R.,Lee, J.H.,Doores, K.J.,Walker, L.M.,Ramos, A.,Diwanji, D.C.,Pejchal, R.,Cupo, A.,Katpally, U.,Depetris, R.S.,Stanfield, R.L.,McBride, R.,Marozsan, A.J.,Paulson, J.C.,Sanders, R.W.,Moore, J.P.,Burton, D.R.,Poignard, P.,Ward, A.B.,Wilson, I.A. Broadly neutralizing antibody PGT121 allosterically modulates CD4 binding via recognition of the HIV-1 gp120 V3 base and multiple surrounding glycans. Plos Pathog. 2013 9 0 0 4KH8 Crystal structure of a Lipocalin-like protein (EF0376) from Enterococcus faecalis V583 at 1.60 A resolution 2013-04-30 2013-05-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (EF0376) from Enterococcus faecalis V583 at 1.60 A resolution To be published 0 0 0 0 4GII 23668484 Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide 2012-08-08 2013-05-29 Liang, J.,van Abbema, A.,Balazs, M.,Barrett, K.,Berezhkovsky, L.,Blair, W.,Chang, C.,Delarosa, D.,Devoss, J.,Driscoll, J.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Halladay, J.,Johnson, A.,Kohli, P.B.,Lai, Y.,Liu, Y.,Lyssikatos, J.,Mantik, P.,Menghrajani, K.,Murray, J.,Peng, I.,Sambrone, A.,Shia, S.,Shin, Y.,Smith, J.,Sohn, S.,Tsui, V.,Ultsch, M.,Wu, L.C.,Xiao, Y.,Yang, W.,Young, J.,Zhang, B.,Zhu, B.Y.,Magnuson, S. Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem. 2013 56 4521 4536 4GJ2 23668484 Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide 2012-08-09 2013-05-29 Liang, J.,van Abbema, A.,Balazs, M.,Barrett, K.,Berezhkovsky, L.,Blair, W.,Chang, C.,Delarosa, D.,Devoss, J.,Driscoll, J.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Halladay, J.,Johnson, A.,Kohli, P.B.,Lai, Y.,Liu, Y.,Lyssikatos, J.,Mantik, P.,Menghrajani, K.,Murray, J.,Peng, I.,Sambrone, A.,Shia, S.,Shin, Y.,Smith, J.,Sohn, S.,Tsui, V.,Ultsch, M.,Wu, L.C.,Xiao, Y.,Yang, W.,Young, J.,Zhang, B.,Zhu, B.Y.,Magnuson, S. Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem. 2013 56 4521 4536 4GJ3 23668484 Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide 2012-08-09 2013-05-29 Liang, J.,van Abbema, A.,Balazs, M.,Barrett, K.,Berezhkovsky, L.,Blair, W.,Chang, C.,Delarosa, D.,Devoss, J.,Driscoll, J.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Halladay, J.,Johnson, A.,Kohli, P.B.,Lai, Y.,Liu, Y.,Lyssikatos, J.,Mantik, P.,Menghrajani, K.,Murray, J.,Peng, I.,Sambrone, A.,Shia, S.,Shin, Y.,Smith, J.,Sohn, S.,Tsui, V.,Ultsch, M.,Wu, L.C.,Xiao, Y.,Yang, W.,Young, J.,Zhang, B.,Zhu, B.Y.,Magnuson, S. Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem. 2013 56 4521 4536 4IXE 23627352 pcDHFR-NADPH-270 2013-01-25 2013-05-29 Gangjee, A.,Namjoshi, O.A.,Raghavan, S.,Queener, S.F.,Kisliuk, R.L.,Cody, V. Design, Synthesis, and Molecular Modeling of Novel Pyrido[2,3-d]pyrimidine Analogues As Antifolates; Application of Buchwald-Hartwig Aminations of Heterocycles. J.Med.Chem. 2013 56 4422 4441 4JNJ 23670729 Structure based engineering of streptavidin monomer with a reduced biotin dissociation rate 2013-03-15 2013-05-29 Demonte, D.,Drake, E.J.,Lim, K.H.,Gulick, A.M.,Park, S. Structure-based engineering of streptavidin monomer with a reduced biotin dissociation rate. Proteins 2013 81 1621 1633 4GD9 23695241 Circular Permuted Streptavidin N49/G48 2012-07-31 2013-06-05 Le Trong, I.,Chu, V.,Xing, Y.,Lybrand, T.P.,Stayton, P.S.,Stenkamp, R.E. Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin. Acta Crystallogr.,Sect.D 2013 69 968 977 4HIQ 23716704 The Structure of V122I Mutant Transthyretin in Complex with AG10 2012-10-11 2013-06-05 Penchala, S.C.,Connelly, S.,Wang, Y.,Park, M.S.,Zhao, L.,Baranczak, A.,Rappley, I.,Vogel, H.,Liedtke, M.,Witteles, R.M.,Powers, E.T.,Reixach, N.,Chan, W.K.,Wilson, I.A.,Kelly, J.W.,Graef, I.A.,Alhamadsheh, M.M. AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA 2013 110 9992 9997 4HIS 23716704 The Structure of V122I Mutant Transthyretin in Complex with Tafamidis 2012-10-11 2013-06-05 Penchala, S.C.,Connelly, S.,Wang, Y.,Park, M.S.,Zhao, L.,Baranczak, A.,Rappley, I.,Vogel, H.,Liedtke, M.,Witteles, R.M.,Powers, E.T.,Reixach, N.,Chan, W.K.,Wilson, I.A.,Kelly, J.W.,Graef, I.A.,Alhamadsheh, M.M. AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA 2013 110 9992 9997 4JJ7 23614665 Caspase-3 specific unnatural amino acid-based peptides 2013-03-07 2013-06-12 Vickers, C.J.,Gonzalez-Paez, G.E.,Wolan, D.W. Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids. Acs Chem.Biol. 2013 8 1558 1566 4JJE 23614665 Caspase-3 specific unnatural amino acid peptides 2013-03-07 2013-06-12 Vickers, C.J.,Gonzalez-Paez, G.E.,Wolan, D.W. Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids. Acs Chem.Biol. 2013 8 1558 1566 4KQT Crystal structure of a putative outer membrane chaperone (OmpH-like) (CC_1914) from Caulobacter crescentus CB15 at 2.83 A resolution (PSI Community Target, Shapiro) 2013-05-15 2013-06-12 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative outer membrane chaperone (OmpH-like) (CC_1914) from Caulobacter crescentus CB15 at 2.83 A resolution (PSI Community Target, Shapiro) To be published 0 0 0 0 4GFM 23867602 JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE 2012-08-03 2013-06-19 Liang, J.,Tsui, V.,Van Abbema, A.,Bao, L.,Barrett, K.,Beresini, M.,Berezhkovskiy, L.,Blair, W.S.,Chang, C.,Driscoll, J.,Eigenbrot, C.,Ghilardi, N.,Gibbons, P.,Halladay, J.,Johnson, A.,Kohli, P.B.,Lai, Y.,Liimatta, M.,Mantik, P.,Menghrajani, K.,Murray, J.,Sambrone, A.,Xiao, Y.,Shia, S.,Shin, Y.,Smith, J.,Sohn, S.,Stanley, M.,Ultsch, M.,Zhang, B.,Wu, L.C.,Magnuson, S. Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem. 2013 67 175 187 4K3E 23746848 Crystal structure of bovine antibody BLV5B8 with ultralong CDR H3 2013-04-10 2013-06-19 Wang, F.,Ekiert, D.C.,Ahmad, I.,Yu, W.,Zhang, Y.,Bazirgan, O.,Torkamani, A.,Raudsepp, T.,Mwangi, W.,Criscitiello, M.F.,Wilson, I.A.,Schultz, P.G.,Smider, V.V. Reshaping antibody diversity. Cell(Cambridge,Mass.) 2013 153 1379 1393 4KWY Crystal structure of a putative lipoprotein (CC_3750) from Caulobacter crescentus CB15 at 2.40 A resolution 2013-05-24 2013-06-19 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (CC_3750) from Caulobacter crescentus CB15 at 2.40 A resolution (PSI Community Target, Shapiro) To be published 0 0 0 0 4JLT 23633618 Crystal structure of P450 2B4(H226Y) in complex with paroxetine 2013-03-13 2013-06-26 Shah, M.B.,Kufareva, I.,Pascual, J.,Zhang, Q.,Stout, C.D.,Halpert, J.R. A Structural Snapshot of CYP2B4 in Complex with Paroxetine Provides Insights into Ligand Binding and Clusters of Conformational States. J.Pharmacol.Exp.Ther. 2013 346 113 120 4L8N Crystal structure of a PDZ domain protein (BDI_1242) from Parabacteroides distasonis ATCC 8503 at 2.50 A resolution 2013-06-17 2013-06-26 Joint Center for Structural Genomics (JCSG) Crystal structure of a PDZ domain protein (BDI_1242) from Parabacteroides distasonis ATCC 8503 at 2.50 A resolution To be published 0 0 0 0 4GGN 23831371 Malaria invasion machinery protein complex 2012-08-06 2013-07-03 Khamrui, S.,Turley, S.,Pardon, E.,Steyaert, J.,Fan, E.,Verlinde, C.L.,Bergman, L.W.,Hol, W.G. The structure of the D3 domain of Plasmodium falciparum myosin tail interacting protein MTIP in complex with a nanobody. Mol.Biochem.Parasitol. 2013 190 87 91 4KH9 Crystal structure of a DUF4785 family protein (lpg0956) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 2.00 A resolution 2013-04-30 2013-07-03 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (lpg0956) from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 at 2.00 A resolution To be published 0 0 0 0 4KW2 Crystal structure of a Putative uncharacterized protein (BDI_1873) from Parabacteroides distasonis ATCC 8503 at 2.32 A resolution 2013-05-23 2013-07-03 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative uncharacterized protein (BDI_1873) from Parabacteroides distasonis ATCC 8503 at 2.32 A resolution To be published 0 0 0 0 4L8J Crystal structure of a Putative efflux transporter (BACEGG_01895) from Bacteroides eggerthii DSM 20697 at 2.06 A resolution 2013-06-17 2013-07-03 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative efflux transporter (BACEGG_01895) from Bacteroides eggerthii DSM 20697 at 2.06 A resolution To be published 0 0 0 0 4KRR 23791946 Crystal structure of Drosophila WntD N-terminal domain-linker (residues 31-240) 2013-05-16 2013-07-10 Chu, M.L.,Ahn, V.E.,Choi, H.J.,Daniels, D.L.,Nusse, R.,Weis, W.I. Structural Studies of Wnts and Identification of an LRP6 Binding Site. Structure 2013 21 1235 1242 4L3R Crystal structure of a DUF4847 family protein (BACEGG_01241) from Bacteroides eggerthii DSM 20697 at 2.23 A resolution 2013-06-06 2013-07-10 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACEGG_01241) from Bacteroides eggerthii DSM 20697 at 2.23 A resolution To be published 0 0 0 0 4LB8 Crystal structure of a DUF4848 family protein (BT3222) from Bacteroides thetaiotaomicron VPI-5482 at 2.49 A resolution 2013-06-20 2013-07-10 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BT3222) from Bacteroides thetaiotaomicron VPI-5482 at 2.49 A resolution To be published 0 0 0 0 4LER Crystal structure of a putative outer membrane protein, probably involved in nutrient binding (BVU_1254) from Bacteroides vulgatus ATCC 8482 at 1.42 A resolution 2013-06-26 2013-07-10 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative outer membrane protein, probably involved in nutrient binding (BVU_1254) from Bacteroides vulgatus ATCC 8482 at 1.42 A resolution To be published 0 0 0 0 4JEU 23858467 Crystal Structure of Munc18a and Syntaxin1 with native N-terminus complex 2013-02-27 2013-07-17 Colbert, K.N.,Hattendorf, D.A.,Weiss, T.M.,Burkhardt, P.,Fasshauer, D.,Weis, W.I. Syntaxin1a variants lacking an N-peptide or bearing the LE mutation bind to Munc18a in a closed conformation. Proc.Natl.Acad.Sci.USA 2013 110 12637 12642 4KQ7 Crystal structure of a DUF2961 family protein (BACUNI_00161) from Bacteroides uniformis ATCC 8492 at 1.62 A resolution 2013-05-14 2013-07-17 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_00161) from Bacteroides uniformis ATCC 8492 at 1.62 A resolution To be published 0 0 0 0 4KM4 23843744 E. coli alkaline phosphatase mutant S102G/R166S in complex with inorganic phosphate 2013-05-08 2013-07-24 Andrews, L.D.,Fenn, T.D.,Herschlag, D. Ground state destabilization by anionic nucleophiles contributes to the activity of phosphoryl transfer enzymes. Plos Biol. 2013 11 0 0 4LGQ Crystal structure of a putative polyketide cyclase (CV_0247) from Chromobacterium violaceum ATCC 12472 at 2.72 A resolution 2013-06-28 2013-07-24 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative polyketide cyclase (CV_0247) from Chromobacterium violaceum ATCC 12472 at 2.72 A resolution To be published 0 0 0 0 4EW1 23869564 High resolution structure of human glycinamide ribonucleotide transformylase in apo form. 2012-04-26 2013-07-31 Connelly, S.,Demartino, J.K.,Boger, D.L.,Wilson, I.A. Biological and Structural Evaluation of 10R- and 10S-Methylthio-DDACTHF Reveals a New Role for Sulfur in Inhibition of Glycinamide Ribonucleotide Transformylase. Biochemistry 2013 52 5133 5144 4EW2 23869564 The structure of human glycinamide ribonucleotide transformylase in complex with 10S-methylthio-DDATHF. 2012-04-26 2013-07-31 Connelly, S.,Demartino, J.K.,Boger, D.L.,Wilson, I.A. Biological and Structural Evaluation of 10R- and 10S-Methylthio-DDACTHF Reveals a New Role for Sulfur in Inhibition of Glycinamide Ribonucleotide Transformylase. Biochemistry 2013 52 5133 5144 4EW3 23869564 The structure of human glycinamide ribonucleotide transformylase in complex with 10R-methylthio-DDATHF. 2012-04-26 2013-07-31 Connelly, S.,Demartino, J.K.,Boger, D.L.,Wilson, I.A. Biological and Structural Evaluation of 10R- and 10S-Methylthio-DDACTHF Reveals a New Role for Sulfur in Inhibition of Glycinamide Ribonucleotide Transformylase. Biochemistry 2013 52 5133 5144 4IZ6 23897471 Structure of EntE and EntB, an NRPS adenylation-PCP fusion protein with pseudo translational symmetry 2013-01-29 2013-07-31 Sundlov, J.A.,Gulick, A.M. Structure determination of the functional domain interaction of a chimeric nonribosomal peptide synthetase from a challenging crystal with noncrystallographic translational symmetry. Acta Crystallogr.,Sect.D 2013 69 1482 1492 4KSB 23901103 Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain 2013-05-17 2013-07-31 Ward, A.B.,Szewczyk, P.,Grimard, V.,Lee, C.W.,Martinez, L.,Doshi, R.,Caya, A.,Villaluz, M.,Pardon, E.,Cregger, C.,Swartz, D.J.,Falson, P.G.,Urbatsch, I.L.,Govaerts, C.,Steyaert, J.,Chang, G. Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain. Proc.Natl.Acad.Sci.USA 2013 110 13386 13391 4KSC 23901103 Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain 2013-05-17 2013-07-31 Ward, A.B.,Szewczyk, P.,Grimard, V.,Lee, C.W.,Martinez, L.,Doshi, R.,Caya, A.,Villaluz, M.,Pardon, E.,Cregger, C.,Swartz, D.J.,Falson, P.G.,Urbatsch, I.L.,Govaerts, C.,Steyaert, J.,Chang, G. Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain. Proc.Natl.Acad.Sci.USA 2013 110 13386 13391 4LBA Crystal structure of a conjugative transposon lipoprotein (BACEGG_03088) from Bacteroides eggerthii DSM 20697 at 1.70 A resolution 2013-06-20 2013-08-07 Joint Center for Structural Genomics (JCSG) Crystal structure of a conjugative transposon lipoprotein (BACEGG_03088) from Bacteroides eggerthii DSM 20697 at 1.70 A resolution To be published 0 0 0 0 4LQZ Crystal structure of a DUF4909 family protein (SAV1798) from Staphylococcus aureus subsp. aureus Mu50 at 1.92 A resolution 2013-07-19 2013-08-07 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (SAV1798) from Staphylococcus aureus subsp. aureus Mu50 at 1.92 A resolution To be published 0 0 0 0 4LMQ 23812669 Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12 2013-07-10 2013-08-14 Zhong, C.,Wang, J.,Li, B.,Xiang, H.,Ultsch, M.,Coons, M.,Wong, T.,Chiang, N.Y.,Clark, S.,Clark, R.,Quintana, L.,Gribling, P.,Suto, E.,Barck, K.,Corpuz, R.,Yao, J.,Takkar, R.,Lee, W.P.,Damico-Beyer, L.A.,Carano, R.D.,Adams, C.,Kelley, R.F.,Wang, W.,Ferrara, N. Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12. Clin.Cancer Res. 2013 19 4433 4445 4L8P Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.60 A resolution 2013-06-17 2013-08-21 Joint Center for Structural Genomics (JCSG) Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.60 A resolution To be published 0 0 0 0 4LEH Crystal structure of a bile-acid 7-alpha dehydratase (CLOSCI_03134) from Clostridium scindens ATCC 35704 at 2.90 A resolution 2013-06-25 2013-08-21 Joint Center for Structural Genomics (JCSG) Crystal structure of a bile-acid 7-alpha dehydratase (CLOSCI_03134) from Clostridium scindens ATCC 35704 at 2.90 A resolution To be published 0 0 0 0 4LG3 Crystal structure of a DUF487 family protein (DESPIG_00776) from Desulfovibrio piger ATCC 29098 at 2.49 A resolution 2013-06-27 2013-08-21 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (DESPIG_00776) from Desulfovibrio piger ATCC 29098 at 2.49 A resolution To be published 0 0 0 0 4LXZ 23897821 Structure of Human HDAC2 in complex with SAHA (vorinostat) 2013-07-30 2013-08-21 Lauffer, B.E.,Mintzer, R.,Fong, R.,Mukund, S.,Tam, C.,Zilberleyb, I.,Flicke, B.,Ritscher, A.,Fedorowicz, G.,Vallero, R.,Ortwine, D.F.,Gunzner, J.,Modrusan, Z.,Neumann, L.,Koth, C.M.,Lupardus, P.J.,Kaminker, J.S.,Heise, C.E.,Steiner, P. Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability. J.Biol.Chem. 2013 288 26926 26943 4KY2 23989101 Transthyretin in complex with the fluorescent folding sensor (E)-7-hydroxy-3-(4-hydroxy-3,5-dimethylstyryl)-4-methyl-2H-chromen-2-one 2013-05-28 2013-08-28 Myung, N.,Connelly, S.,Kim, B.,Park, S.J.,Wilson, I.A.,Kelly, J.W.,Choi, S. Bifunctional coumarin derivatives that inhibit transthyretin amyloidogenesis and serve as fluorescent transthyretin folding sensors. Chem.Commun.(Camb.) 2013 49 9188 9190 4KZW 23960080 Structure of the carbohydrate-recognition domain of the C-type lectin mincle 2013-05-30 2013-08-28 Feinberg, H.,Jegouzo, S.A.,Rowntree, T.J.,Guan, Y.,Brash, M.A.,Taylor, M.E.,Weis, W.I.,Drickamer, K. Mechanism for Recognition of an Unusual Mycobacterial Glycolipid by the Macrophage Receptor Mincle. J.Biol.Chem. 2013 288 28457 28465 4LJX Crystal structure of an AT-rich interactive domain-containing protein 3A (ARID3A) from Homo sapiens at 2.21 A resolution 2013-07-05 2013-08-28 Joint Center for Structural Genomics (JCSG),Partnership for Stem Cell Biology (STEMCELL) Crystal structure of an AT-rich interactive domain-containing protein 3A (ARID3A) from Homo sapiens at 2.21 A resolution To be published 0 0 0 0 4M8K Crystal structure of a putative GDSL-like lipase (BACUNI_00748) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution 2013-08-13 2013-08-28 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_00748) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution To be published 0 0 0 0 4IRS 23960235 Structure of the mouse CD1d-PyrC-alpha-GalCer-iNKT TCR complex 2013-01-15 2013-09-04 Aspeslagh, S.,Nemcovic, M.,Pauwels, N.,Venken, K.,Wang, J.,Van Calenbergh, S.,Zajonc, D.M.,Elewaut, D. Enhanced TCR footprint by a novel glycolipid increases NKT-dependent tumor protection. J.Immunol. 2013 191 2916 2925 4LQX Crystal structure of a TENA/THI-4 domain-containing protein (SSO2700) from Sulfolobus solfataricus P2 at 2.34 A resolution 2013-07-19 2013-09-04 Joint Center for Structural Genomics (JCSG) Crystal structure of a TENA/THI-4 domain-containing protein (SSO2700) from Sulfolobus solfataricus P2 at 2.34 A resolution To be published 0 0 0 0 4ME8 Crystal structure of a signal peptidase I (EF3073) from Enterococcus faecalis V583 at 2.27 A resolution 2013-08-25 2013-09-11 Joint Center for Structural Genomics (JCSG) Crystal structure of a signal peptidase I (EF3073) from Enterococcus faecalis V583 at 2.27 A resolution To be published 0 0 0 0 4K4P 23998903 TL-3 inhibited Trp6Ala HIV Protease 2013-04-12 2013-09-18 Tiefenbrunn, T.,Forli, S.,Happer, M.,Gonzalez, A.,Tsai, Y.,Soltis, M.,Elder, J.H.,Olson, A.J.,Stout, C.D. Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease. Chem.Biol.Drug Des. 2014 83 141 148 4K4Q 23998903 TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site 2013-04-12 2013-09-18 Tiefenbrunn, T.,Forli, S.,Happer, M.,Gonzalez, A.,Tsai, Y.,Soltis, M.,Elder, J.H.,Olson, A.J.,Stout, C.D. Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease. Chem.Biol.Drug Des. 2014 83 141 148 4K4R 23998903 TL-3 inhibited Trp6Ala HIV Protease with 1-bromo-2-napthoic acid bound in exosite 2013-04-12 2013-09-18 Tiefenbrunn, T.,Forli, S.,Happer, M.,Gonzalez, A.,Tsai, Y.,Soltis, M.,Elder, J.H.,Olson, A.J.,Stout, C.D. Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease. Chem.Biol.Drug Des. 2014 83 141 148 4KGJ 24036510 Crystal structure of human alpha-L-iduronidase complex with 5-fluoro-alpha-L-idopyranosyluronic acid fluoride 2013-04-29 2013-09-18 Bie, H.,Yin, J.,He, X.,Kermode, A.R.,Goddard-Borger, E.D.,Withers, S.G.,James, M.N. Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol. 2013 9 739 745 4KGL 24036510 Crystal structure of human alpha-L-iduronidase complex with [2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine 2013-04-29 2013-09-18 Bie, H.,Yin, J.,He, X.,Kermode, A.R.,Goddard-Borger, E.D.,Withers, S.G.,James, M.N. Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol. 2013 9 739 745 4KH2 24036510 Crystal structure of human alpha-L-iduronidase complex with 2-deoxy-2-fluoro-alpha-L-idopyranosyluronic acid fluoride 2013-04-29 2013-09-18 Bie, H.,Yin, J.,He, X.,Kermode, A.R.,Goddard-Borger, E.D.,Withers, S.G.,James, M.N. Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase. Nat.Chem.Biol. 2013 9 739 745 4LR4 Crystal structure of a putative secreted protein (EUBREC_3654) from Eubacterium rectale at 2.43 A resolution 2013-07-19 2013-09-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (EUBREC_3654) from Eubacterium rectale at 2.43 A resolution To be published 0 0 0 0 4KW3 23966383 Crystal structure of the non-structural protein 1 N-terminal origin-recognition/nickase domain from the emerging human bocavirus 2013-05-23 2013-09-25 Tewary, S.K.,Zhao, H.,Shen, W.,Qiu, J.,Tang, L. Structure of the NS1 Protein N-Terminal Origin Recognition/Nickase Domain from the Emerging Human Bocavirus. J.Virol. 2013 87 11487 11493 4LV5 Murine IRGa6 bound to Toxoplasma ROP5B, a pseudokinase GDI 2013-07-25 2013-09-25 Reese, M.L.,Shah, N.,Boothroyd, J.C. Murine IRGa6 bound to Toxoplasma ROP5B, a pseudokinase GDI To be Published 0 0 0 0 4LV8 Murine IRGa6 bound to Toxoplasma ROP5C, a pseudokinase GDI 2013-07-26 2013-09-25 Reese, M.L.,Shah, N.,Boothroyd, J.C. Murine IRGa6 bound to Toxoplasma ROP5C, a pseudokinase GDI To be Published 0 0 0 0 4LVB 24021463 Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) 2013-07-26 2013-09-25 Zheng, X.,Bair, K.W.,Bauer, P.,Baumeister, T.,Bowman, K.K.,Buckmelter, A.J.,Caligiuri, M.,Clodfelter, K.H.,Feng, Y.,Han, B.,Ho, Y.C.,Kley, N.,Li, H.,Liang, X.,Liederer, B.M.,Lin, J.,Ly, J.,O'Brien, T.,Oeh, J.,Oh, A.,Reynolds, D.J.,Sampath, D.,Sharma, G.,Skelton, N.,Smith, C.C.,Tremayne, J.,Wang, L.,Wang, W.,Wang, Z.,Wu, H.,Wu, J.,Xiao, Y.,Yang, G.,Yuen, P.W.,Zak, M.,Dragovich, P.S. Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett. 2013 23 5488 5497 4MAS High Resolution Structure of Wild Type Human Transthyretin in Complex with 3,3',5,5'-tetrachloro-[1,1'-biphenyl]-4,4'diol 2013-08-16 2013-09-25 Connelly, S.,Bradbury, N.C.,Wilson, I.A. High Resolution Structure of Wild Type Human Transthyretin in Complex with 3,3',5,5'-tetrachloro-[1,1'-biphenyl]-4,4'diol To be Published 0 0 0 0 4ME9 Crystal structure of a transcriptional regulator, TetR family (BCE_2991) from Bacillus cereus ATCC 10987 at 2.50 A resolution 2013-08-25 2013-09-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a transcriptional regulator, TetR family (BCE_2991) from Bacillus cereus ATCC 10987 at 2.50 A resolution To be published 0 0 0 0 4MDW Crystal structure of a DUF1541 family protein (ydhK) from Bacillus subtilis subsp. subtilis str. 168 at 2.00 A resolution 2013-08-23 2013-10-02 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (ydhK) from Bacillus subtilis subsp. subtilis str. 168 at 2.00 A resolution To be published 0 0 0 0 4MHJ 24049169 Crystal structure of Fab H5M9 in complex with influenza virus hemagglutinin from A/goose/Guangdong/1/96 (H5N1) 2013-08-29 2013-10-02 Zhu, X.,Guo, Y.H.,Jiang, T.,Wang, Y.D.,Chan, K.H.,Li, X.F.,Yu, W.,McBride, R.,Paulson, J.C.,Yuen, K.Y.,Qin, C.F.,Che, X.Y.,Wilson, I.A. A Unique and Conserved Neutralization Epitope in H5N1 Influenza Viruses Identified by an Antibody against the A/Goose/Guangdong/1/96 Hemagglutinin. J.Virol. 2013 87 12619 12635 4GW5 24101516 cQYN meditope - Cetuximab Fab 2012-08-31 2013-10-09 Donaldson, J.M.,Zer, C.,Avery, K.N.,Bzymek, K.P.,Horne, D.A.,Williams, J.C. Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies. Proc.Natl.Acad.Sci.USA 2013 110 17456 17461 4K3G 23978698 Immunoglobulin lambda variable domain L5(L89S) fluorogen activating protein 2013-04-10 2013-10-09 Szent-Gyorgyi, C.,Stanfield, R.L.,Andreko, S.,Dempsey, A.,Ahmed, M.,Capek, S.,Waggoner, A.S.,Wilson, I.A.,Bruchez, M.P. Malachite Green Mediates Homodimerization of Antibody VL Domains to Form a Fluorescent Ternary Complex with Singular Symmetric Interfaces. J.Mol.Biol. 2013 425 4595 4613 4K3H 23978698 Immunoglobulin lambda variable domain L5(L89S) fluorogen activationg protein in complex with malachite green 2013-04-10 2013-10-09 Szent-Gyorgyi, C.,Stanfield, R.L.,Andreko, S.,Dempsey, A.,Ahmed, M.,Capek, S.,Waggoner, A.S.,Wilson, I.A.,Bruchez, M.P. Malachite Green Mediates Homodimerization of Antibody VL Domains to Form a Fluorescent Ternary Complex with Singular Symmetric Interfaces. J.Mol.Biol. 2013 425 4595 4613 4M8R Crystal structure of a DUF4784 family protein (BACCAC_01631) from Bacteroides caccae ATCC 43185 at 2.50 A resolution 2013-08-13 2013-10-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACCAC_01631) from Bacteroides caccae ATCC 43185 at 2.50 A resolution To be published 0 0 0 0 4MU9 Crystal structure of a putative glycosylhydrolase (BT_3782) from Bacteroides thetaiotaomicron VPI-5482 at 1.89 A resolution 2013-09-20 2013-10-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative glycosylhydrolase (BT_3782) from Bacteroides thetaiotaomicron VPI-5482 at 1.89 A resolution To be published 0 0 0 0 4MUD Crystal structure of a ring oxydation complex/ phenylacetic acid degradation-like protein (SSO1313) from Sulfolobus solfataricus P2 at 2.43 A resolution 2013-09-21 2013-10-09 Joint Center for Structural Genomics (JCSG) Crystal structure of a ring oxydation complex/ phenylacetic acid degradation-like protein (SSO1313) from Sulfolobus solfataricus P2 at 2.43 A resolution To be published 0 0 0 0 4M0H Crystal structure of a putative anti-sigma factor (BDI_1681) from Parabacteroides distasonis ATCC 8503 at 2.50 A resolution 2013-08-01 2013-10-16 Joint Center for Structural Genomics (JCSG) Crystal structure of a conserved hypothetical protein, putative anti-sigma factor (BDI_1681) from Parabacteroides distasonis ATCC 8503 at 2.50 A resolution To be published 0 0 0 0 4MJG Crystal structure of a DUF4853 family protein (ACTODO_00621) from Actinomyces odontolyticus ATCC 17982 at 2.65 A resolution 2013-09-03 2013-10-16 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (ACTODO_00621) from Actinomyces odontolyticus ATCC 17982 at 2.65 A resolution To be published 0 0 0 0 4MXT Crystal structure of an Outer-membrane lipoprotein carrier protein (BACUNI_04723) from Bacteroides uniformis ATCC 8492 at 1.40 A resolution 2013-09-26 2013-10-16 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_04723) from Bacteroides uniformis ATCC 8492 at 1.40 A resolution To be published 0 0 0 0 4MYR Crystal structure of a putative CpaE2 pilus assembly protein (CpaE2) from Sinorhizobium meliloti 1021 at 2.72 A resolution (PSI Community Target, Shapiro) 2013-09-27 2013-10-16 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative CpaE2 pilus assembly protein (CpaE2) from Sinorhizobium meliloti 1021 at 2.72 A resolution (PSI Community Target, Shapiro) To be published 0 0 0 0 4MC5 24130481 Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11) 2013-08-21 2013-10-23 Tong, S.,Zhu, X.,Li, Y.,Shi, M.,Zhang, J.,Bourgeois, M.,Yang, H.,Chen, X.,Recuenco, S.,Gomez, J.,Chen, L.M.,Johnson, A.,Tao, Y.,Dreyfus, C.,Yu, W.,McBride, R.,Carney, P.J.,Gilbert, A.T.,Chang, J.,Guo, Z.,Davis, C.T.,Paulson, J.C.,Stevens, J.,Rupprecht, C.E.,Holmes, E.C.,Wilson, I.A.,Donis, R.O. New world bats harbor diverse influenza a viruses. Plos Pathog. 2013 9 0 0 4MXN Crystal structure of a putative glycosyl hydrolase (PARMER_00599) from Parabacteroides merdae ATCC 43184 at 1.95 A resolution 2013-09-26 2013-10-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (PARMER_00599) from Parabacteroides merdae ATCC 43184 at 1.95 A resolution To be published 0 0 0 0 4N0R Crystal structure of a putative glycoside hydrolase (BVU_0362) from Bacteroides vulgatus ATCC 8482 at 1.80 A resolution 2013-10-02 2013-10-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative glycoside hydrolase (BVU_0362) from Bacteroides vulgatus ATCC 8482 at 1.80 A resolution To be published 0 0 0 0 4LO2 24130488 HA17-HA33-Lac 2013-07-12 2013-10-30 Lee, K.,Gu, S.,Jin, L.,Le, T.T.,Cheng, L.W.,Strotmeier, J.,Kruel, A.M.,Yao, G.,Perry, K.,Rummel, A.,Jin, R. Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog. 2013 9 0 0 4LO2 24130488 HA17-HA33-Lac 2013-07-12 2013-10-30 Lee, K.,Gu, S.,Jin, L.,Le, T.T.,Cheng, L.W.,Strotmeier, J.,Kruel, A.M.,Yao, G.,Perry, K.,Rummel, A.,Jin, R. Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog. 2013 9 0 0 4LO3 24130488 HA17-HA33-LacNac 2013-07-12 2013-10-30 Lee, K.,Gu, S.,Jin, L.,Le, T.T.,Cheng, L.W.,Strotmeier, J.,Kruel, A.M.,Yao, G.,Perry, K.,Rummel, A.,Jin, R. Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog. 2013 9 0 0 4LO3 24130488 HA17-HA33-LacNac 2013-07-12 2013-10-30 Lee, K.,Gu, S.,Jin, L.,Le, T.T.,Cheng, L.W.,Strotmeier, J.,Kruel, A.M.,Yao, G.,Perry, K.,Rummel, A.,Jin, R. Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog. 2013 9 0 0 4LCB 24161953 Structure of Vps4 homolog from Acidianus hospitalis 2013-06-21 2013-11-06 Monroe, N.,Han, H.,Gonciarz, M.D.,Eckert, D.M.,Karren, M.A.,Whitby, F.G.,Sundquist, W.I.,Hill, C.P. The Oligomeric State of the Active Vps4 AAA ATPase. J.Mol.Biol. 2014 426 510 525 4MZE 24149514 Crystal structure of hPIV3 hemagglutinin-neuraminidase, H552Q/Q559R mutant 2013-09-30 2013-11-06 Xu, R.,Palmer, S.G.,Porotto, M.,Palermo, L.M.,Niewiesk, S.,Wilson, I.A.,Moscona, A. Interaction between the hemagglutinin-neuraminidase and fusion glycoproteins of human parainfluenza virus type III regulates viral growth in vivo. MBio 2013 4 0 0 4M2T 24155053 Corrected Structure of Mouse P-glycoprotein bound to QZ59-SSS 2013-08-05 2013-11-13 Li, J.,Jaimes, K.F.,Aller, S.G. Refined structures of mouse P-glycoprotein. Protein Sci. 2014 23 34 46 4MJF Crystal structure of a DUF4348 family protein (BVU_2238) from Bacteroides vulgatus ATCC 8482 at 1.99 A resolution 2013-09-03 2013-11-13 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BVU_2238) from Bacteroides vulgatus ATCC 8482 at 1.99 A resolution To be published 0 0 0 0 4MXW 24248355 Structure of heterotrimeric lymphotoxin LTa1b2 bound to lymphotoxin beta receptor LTbR and anti-LTa Fab 2013-09-26 2013-11-13 Sudhamsu, J.,Yin, J.,Chiang, E.Y.,Starovasnik, M.A.,Grogan, J.L.,Hymowitz, S.G. Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction. Proc.Natl.Acad.Sci.USA 2013 110 19896 19901 4N33 24217250 Structure of langerin CRD complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3 2013-10-06 2013-11-20 Feinberg, H.,Rowntree, T.J.,Tan, S.L.,Drickamer, K.,Weis, W.I.,Taylor, M.E. Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem. 2013 288 36762 36771 4N35 24217250 Structure of langerin CRD I313 complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3 2013-10-06 2013-11-20 Feinberg, H.,Rowntree, T.J.,Tan, S.L.,Drickamer, K.,Weis, W.I.,Taylor, M.E. Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem. 2013 288 36762 36771 4N36 24217250 Structure of langerin CRD I313 D288 complexed with Me-GlcNAc 2013-10-06 2013-11-20 Feinberg, H.,Rowntree, T.J.,Tan, S.L.,Drickamer, K.,Weis, W.I.,Taylor, M.E. Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem. 2013 288 36762 36771 4N37 24217250 Structure of langerin CRD I313 D288 complexed with Me-Man 2013-10-06 2013-11-20 Feinberg, H.,Rowntree, T.J.,Tan, S.L.,Drickamer, K.,Weis, W.I.,Taylor, M.E. Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem. 2013 288 36762 36771 4K27 Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function 2013-04-08 2013-11-27 Childs-Disney, J.,Yildirim, I.,Park, H.,Lohman, J.,Guan, L.,Tran, T.,Sarkar, P.,Schatz, G.C.,Disney, M.D. Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function ACS CHEM.BIOL. 2013 0 0 0 4N38 24217250 Structure of langerin CRD I313 D288 complexed with GlcNAc-beta1-3Gal-beta1-4GlcNAc-beta-CH2CH2N3 2013-10-06 2013-11-27 Feinberg, H.,Rowntree, T.J.,Tan, S.L.,Drickamer, K.,Weis, W.I.,Taylor, M.E. Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem. 2013 288 36762 36771 4HJT 24180271 Kinetic stabilization of transthyretin through covalent modification of K15 by (E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)phenyl)propionamide 2012-10-14 2013-12-04 Suh, E.H.,Liu, Y.,Connelly, S.,Genereux, J.C.,Wilson, I.A.,Kelly, J.W. Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis. J.Am.Chem.Soc. 2013 135 17869 17880 4HJU 24180271 Transthyretin in complex with (E)-N-(3-(4-hydroxy-3,5-dimethylstyryl)phenyl)acrylamide 2012-10-14 2013-12-04 Suh, E.H.,Liu, Y.,Connelly, S.,Genereux, J.C.,Wilson, I.A.,Kelly, J.W. Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis. J.Am.Chem.Soc. 2013 135 17869 17880 4MXO 24292070 human Src kinase bound to kinase inhibitor bosutinib 2013-09-26 2013-12-04 Levinson, N.M.,Boxer, S.G. A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity. Nat.Chem.Biol. 2014 10 127 132 4MXX 24292070 Human Src A403T mutant bound to kinase inhibitor bosutinib 2013-09-26 2013-12-04 Levinson, N.M.,Boxer, S.G. A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity. Nat.Chem.Biol. 2014 10 127 132 4MXZ 24292070 Src M314L T338M double mutant bound to kinase inhibitor bosutinib 2013-09-26 2013-12-04 Levinson, N.M.,Boxer, S.G. A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity. Nat.Chem.Biol. 2014 10 127 132 4N1D 24311780 Nodal/BMP2 chimera NB250 2013-10-04 2013-12-04 Esquivies, L.,Blackler, A.,Peran, M.,Rodriguez-Esteban, C.,Izpisua Belmonte, J.C.,Booker, E.,Gray, P.C.,Ahn, C.,Kwiatkowski, W.,Choe, S. Designer Nodal/BMP2 Chimeras Mimic Nodal Signaling, Promote Chondrogenesis, and Reveal a BMP2-like Structure. J.Biol.Chem. 2014 289 1788 1797 4C20 24333485 L-Fucose Isomerase 2013-08-16 2013-12-11 Higgins, M.A.,Suits, M.D.,Marsters, C.,Boraston, A.B. Structural and Functional Analysis of Fucose-Processing Enzymes from Streptococcus Pneumoniae. J.Mol.Biol. 2014 426 1469 0 4NKP Crystal structure of a putative extracellular heme-binding protein (DESPIG_02683) from Desulfovibrio piger ATCC 29098 at 1.24 A resolution 2013-11-12 2013-12-11 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (DESPIG_02683) from Desulfovibrio piger ATCC 29098 at 1.24 A resolution To be published 0 0 0 0 4MXY 24292070 Src M314L T338M double mutant bound to kinase inhibitor bosutinib 2013-09-26 2013-12-25 Levinson, N.M.,Boxer, S.G. A conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity. Nat.Chem.Biol. 2014 10 127 132 4NM4 24335589 Crystal structure of broadly neutralizing antibody CR8043 2013-11-14 2013-12-25 Friesen, R.H.,Lee, P.S.,Stoop, E.J.,Hoffman, R.M.,Ekiert, D.C.,Bhabha, G.,Yu, W.,Juraszek, J.,Koudstaal, W.,Jongeneelen, M.,Korse, H.J.,Ophorst, C.,Brinkman-van der Linden, E.C.,Throsby, M.,Kwakkenbos, M.J.,Bakker, A.Q.,Beaumont, T.,Spits, H.,Kwaks, T.,Vogels, R.,Ward, A.B.,Goudsmit, J.,Wilson, I.A. A common solution to group 2 influenza virus neutralization. Proc.Natl.Acad.Sci.USA 2014 111 445 450 4NRD Crystal structure of a putative GDSL-like lipase (BACOVA_04955) from Bacteroides ovatus ATCC 8483 at 2.10 A resolution 2013-11-26 2013-12-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACOVA_04955) from Bacteroides ovatus ATCC 8483 at 2.10 A resolution To be published 0 0 0 0 4IZH Crystal Structure of the Alpha1 dimer of Thermus thermophilus Transhydrogenase in P6 2013-01-29 2014-01-29 Leung, J.,Yamaguchi, M.,Schurig Briccio, L.A.,B Gennis, R.,Stout, C.D. Crystal structure analysis of Thermus thermophilus transhydrogenase soluble domains To be Published 0 0 0 0 4IZI Crystal Structure of the Alpha1 dimer of Thermus thermophilus Transhydrogenase in P4(3) 2013-01-30 2014-02-05 Leung, J.,Yamaguchi, M.,Schurig Briccio, L.A.,B Gennis, R.,Stout, C.D. Crystal structure analysis of Thermus thermophilus transhydrogenase soluble domains To be Published 0 0 0 0 4KTE 24550318 Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate 2013-05-20 2014-02-05 Tran, K.,Poulsen, C.,Guenaga, J.,de Val Alda, N.,Wilson, R.,Sundling, C.,Li, Y.,Stanfield, R.L.,Wilson, I.A.,Ward, A.B.,Karlsson Hedestam, G.B.,Wyatt, R.T. Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign. Proc.Natl.Acad.Sci.USA 2014 111 0 0 4OLA 22539551 Crystal Structure of Human Argonaute2 2014-01-23 2014-02-05 Schirle, N.T.,MacRae, I.J. The crystal structure of human Argonaute2. Science 2012 336 1037 1040 4OLB 22539551 Crystal Structure of Human Argonaute2 Bound to Tryptophan 2014-01-23 2014-02-05 Schirle, N.T.,MacRae, I.J. The crystal structure of human Argonaute2. Science 2012 336 1037 1040 4OBI Crystal structure of a DUF1312 family protein (EF3258) from Enterococcus faecalis V583 at 1.73 A resolution 2014-01-07 2014-02-12 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (EF3258) from Enterococcus faecalis V583 at 1.73 A resolution To be published 0 0 0 0 4OBM Crystal structure of a putative transcription regulator (EUBSIR_01389) from Eubacterium siraeum DSM 15702 at 2.15 A resolution 2014-01-07 2014-02-12 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (EUBSIR_01389) from Eubacterium siraeum DSM 15702 at 2.15 A resolution To be published 0 0 0 0 4CAM 24472039 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)methyl)quinolin-2-amine 2013-10-08 2014-02-19 Cinelli, M.A.,Li, H.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem. 2014 57 1513 0 4CAN 24472039 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-Fluorobenzylamino)ethyl)quinolin-2-amine 2013-10-08 2014-02-19 Cinelli, M.A.,Li, H.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem. 2014 57 1513 0 4CAO 24472039 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-(3-Fluorophenyl(propylamino)ethyl))quinolin-2- amine 2013-10-08 2014-02-19 Cinelli, M.A.,Li, H.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem. 2014 57 1513 0 4CAP 24472039 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-(3-Fluorophenyl(propylamino)methyl))quinolin-2- amine 2013-10-08 2014-02-19 Cinelli, M.A.,Li, H.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem. 2014 57 1513 0 4NW4 Crystal structure of a DUF4822 family protein (EF0375) from Enterococcus faecalis V583 at 1.85 A resolution 2013-12-05 2014-02-19 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (EF0375) from Enterococcus faecalis V583 at 1.85 A resolution To be published 0 0 0 0 4NZT 24503852 Crystal structure of the antibody-binding region of Protein M (Protein M TD) in complex with anti-infleunza hemagglutinin antibody CR9114 Fab 2013-12-12 2014-02-19 Grover, R.K.,Zhu, X.,Nieusma, T.,Jones, T.,Boero, I.,MacLeod, A.S.,Mark, A.,Niessen, S.,Kim, H.J.,Kong, L.,Assad-Garcia, N.,Kwon, K.,Chesi, M.,Smider, V.V.,Salomon, D.R.,Jelinek, D.F.,Kyle, R.A.,Pyles, R.B.,Glass, J.I.,Ward, A.B.,Wilson, I.A.,Lerner, R.A. A structurally distinct human mycoplasma protein that generically blocks antigen-antibody union. Science 2014 343 656 661 4NZU 24503852 Crystal structure of the primary monoclonal antibody 13PL Fab' from a multiple myeloma patient 2013-12-12 2014-02-19 Grover, R.K.,Zhu, X.,Nieusma, T.,Jones, T.,Boero, I.,MacLeod, A.S.,Mark, A.,Niessen, S.,Kim, H.J.,Kong, L.,Assad-Garcia, N.,Kwon, K.,Chesi, M.,Smider, V.V.,Salomon, D.R.,Jelinek, D.F.,Kyle, R.A.,Pyles, R.B.,Glass, J.I.,Ward, A.B.,Wilson, I.A.,Lerner, R.A. A structurally distinct human mycoplasma protein that generically blocks antigen-antibody union. Science 2014 343 656 661 4OF3 24485456 Crystal Structure of SYG-1 D1-D2, Glycosylated 2014-01-14 2014-02-19 Ozkan, E.,Chia, P.H.,Wang, R.R.,Goriatcheva, N.,Borek, D.,Otwinowski, Z.,Walz, T.,Shen, K.,Garcia, K.C. Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis. Cell(Cambridge,Mass.) 2014 156 482 494 4OFK 24485456 Crystal Structure of SYG-2 D4 2014-01-15 2014-02-19 Ozkan, E.,Chia, P.H.,Wang, R.R.,Goriatcheva, N.,Borek, D.,Otwinowski, Z.,Walz, T.,Shen, K.,Garcia, K.C. Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis. Cell(Cambridge,Mass.) 2014 156 482 494 4OFY 24485456 Crystal Structure of the Complex of SYG-1 D1-D2 and SYG-2 D1-D4 2014-01-15 2014-02-19 Ozkan, E.,Chia, P.H.,Wang, R.R.,Goriatcheva, N.,Borek, D.,Otwinowski, Z.,Walz, T.,Shen, K.,Garcia, K.C. Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis. Cell(Cambridge,Mass.) 2014 156 482 494 4OLE Crystal structure of a neighbor of BRCA1 gene 1 (NBR1) from Homo sapiens at 2.52 A resolution 2014-01-23 2014-02-19 Joint Center for Structural Genomics (JCSG) Crystal structure of a neighbor of BRCA1 gene 1 (NBR1) from Homo sapiens at 2.52 A resolution To be published 0 0 0 0 4OPM Crystal structure of a putative lipase (lip1) from Acinetobacter baumannii AYE at 1.70 A resolution 2014-02-05 2014-02-19 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative lipase (lip1) from Acinetobacter baumannii AYE at 1.70 A resolution To be published 0 0 0 0 4O2T Crystal structure of a DUF4827 family protein (BDI_1692) from Parabacteroides distasonis ATCC 8503 at 2.40 A resolution 2013-12-17 2014-02-26 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BDI_1692) from Parabacteroides distasonis ATCC 8503 at 2.40 A resolution To be published 0 0 0 0 4ONZ Crystal structure of a putative glycoside hydrolase (BACOVA_02161) from Bacteroides ovatus ATCC 8483 at 1.85 A resolution 2014-01-29 2014-02-26 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative glycoside hydrolase (BACOVA_02161) from Bacteroides ovatus ATCC 8483 at 1.85 A resolution To be published 0 0 0 0 4NCH 24493214 Crystal Structure of Pyrococcus furiosis Rad50 L802W mutation 2013-10-24 2014-03-05 Deshpande, R.A.,Williams, G.J.,Limbo, O.,Williams, R.S.,Kuhnlein, J.,Lee, J.H.,Classen, S.,Guenther, G.,Russell, P.,Tainer, J.A.,Paull, T.T. ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J. 2014 33 482 500 4NCI 24493214 Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation 2013-10-24 2014-03-05 Deshpande, R.A.,Williams, G.J.,Limbo, O.,Williams, R.S.,Kuhnlein, J.,Lee, J.H.,Classen, S.,Guenther, G.,Russell, P.,Tainer, J.A.,Paull, T.T. ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J. 2014 33 482 500 4NCJ 24493214 Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation with ADP Beryllium Flouride 2013-10-24 2014-03-05 Deshpande, R.A.,Williams, G.J.,Limbo, O.,Williams, R.S.,Kuhnlein, J.,Lee, J.H.,Classen, S.,Guenther, G.,Russell, P.,Tainer, J.A.,Paull, T.T. ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J. 2014 33 482 500 4NCK 24493214 Crystal Structure of Pyrococcus furiosis Rad50 R797G mutation 2013-10-24 2014-03-05 Deshpande, R.A.,Williams, G.J.,Limbo, O.,Williams, R.S.,Kuhnlein, J.,Lee, J.H.,Classen, S.,Guenther, G.,Russell, P.,Tainer, J.A.,Paull, T.T. ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling. Embo J. 2014 33 482 500 4OO3 Crystal structure of a putative oxidoreductase (PARMER_00841) from Parabacteroides merdae ATCC 43184 at 2.23 A resolution 2014-01-30 2014-03-05 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (PARMER_00841) from Parabacteroides merdae ATCC 43184 at 2.23 A resolution To be published 0 0 0 0 4ORL Crystal structure of a DUF4783 family protein (BACOVA_04304) from Bacteroides ovatus ATCC 8483 at 1.40 A resolution 2014-02-11 2014-03-05 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACOVA_04304) from Bacteroides ovatus ATCC 8483 at 1.40 A resolution To be published 0 0 0 0 4POI Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 A resolution 2014-02-25 2014-03-12 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 A resolution To be published 0 0 0 0 4JBV 24531197 Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268 2013-02-20 2014-03-19 Vidadala, R.S.,Ojo, K.K.,Johnson, S.M.,Zhang, Z.,Leonard, S.E.,Mitra, A.,Choi, R.,Reid, M.C.,Keyloun, K.R.,Fox, A.M.,Kennedy, M.,Silver-Brace, T.,Hume, J.C.,Kappe, S.,Verlinde, C.L.,Fan, E.,Merritt, E.A.,Van Voorhis, W.C.,Maly, D.J. Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes. Eur.J.Med.Chem. 2014 74 562 573 4KAT 24563811 Crystal structure of FDTS from T. maritima mutant (R174K) with FAD and dUMP 2013-04-22 2014-03-26 Mathews, I.I. Flavin-Dependent Thymidylate Synthase as a Drug Target for Deadly Microbes: Mutational Study and a Strategy for Inhibitor Design. J Bioterror Biodef 2013 0 4 4 4NM0 24642411 Crystal structure of peptide inhibitor-free GSK-3/Axin complex 2013-11-14 2014-03-26 Stamos, J.L.,Chu, M.L.,Enos, M.D.,Shah, N.,Weis, W.I. Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife 2014 3 0 0 4NM3 24642411 Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide 2013-11-14 2014-03-26 Stamos, J.L.,Chu, M.L.,Enos, M.D.,Shah, N.,Weis, W.I. Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife 2014 3 0 0 4EDX 24830649 Nerve Growth Factor in Complex with Fab from mouse mAb 911 2012-03-27 2014-04-02 La Porte, S.L.,Eigenbrot, C.,Ultsch, M.,Ho, W.H.,Foletti, D.,Forgie, A.,Lindquist, K.C.,Shelton, D.L.,Pons, J. Generation of a high-fidelity antibody against nerve growth factor using library scanning mutagenesis and validation with structures of the initial and optimized Fab-antigen complexes. MAbs 0 6 1059 1068 4MN3 24625057 Chromodomain antagonists that target the polycomb-group methyllysine reader protein Chromobox homolog 7 (CBX7) 2013-09-09 2014-04-02 Simhadri, C.,Daze, K.D.,Douglas, S.F.,Quon, T.T.,Dev, A.,Gignac, M.C.,Peng, F.,Heller, M.,Boulanger, M.J.,Wulff, J.E.,Hof, F. Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7). J.Med.Chem. 2014 57 2874 2883 4OPW Crystal structure of a putative adhesin (PARMER_02777) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution 2014-02-06 2014-04-02 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative adhesin (PARMER_02777) from Parabacteroides merdae ATCC 43184 at 1.75 A resolution To be published 0 0 0 0 4CHJ 24675080 Structure of Inner Membrane Complex (IMC) Sub-compartment Protein 3 (ISP3) from Toxoplasma gondii 2013-12-03 2014-04-09 Tonkin, M.L.,Beck, J.R.,Bradley, P.J.,Boulanger, M.J. The Inner Membrane Complex Sub-Compartment Proteins Critical for Replication of the Apicomplexan Parasite Toxoplasma Gondii Adopt a Pleckstrin Homology Fold J.Biol.Chem. 2014 289 13962 0 4O5L 24717798 Crystal structure of broadly neutralizing antibody F045-092 2013-12-19 2014-04-16 Lee, P.S.,Ohshima, N.,Stanfield, R.L.,Yu, W.,Iba, Y.,Okuno, Y.,Kurosawa, Y.,Wilson, I.A. Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus. Nat Commun 2014 5 3614 3614 4O5N 24717798 Crystal structure of A/Victoria/361/2011 (H3N2) influenza virus hemagglutinin 2013-12-19 2014-04-16 Lee, P.S.,Ohshima, N.,Stanfield, R.L.,Yu, W.,Iba, Y.,Okuno, Y.,Kurosawa, Y.,Wilson, I.A. Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus. Nat Commun 2014 5 3614 3614 4PS6 Crystal structure of an inhibitor of vertebrate lysozyme (PA3902) from Pseudomonas aeruginosa PAO1 at 1.25 A resolution 2014-03-06 2014-04-16 Joint Center for Structural Genomics (JCSG) Crystal structure of an inhibitor of vertebrate lysozyme (PA3902) from Pseudomonas aeruginosa PAO1 at 1.25 A resolution To be published 0 0 0 0 4PXY Crystal structure of a Putative thua-like protein (BACUNI_01602) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution 2014-03-25 2014-04-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_01602) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution To be published 0 0 0 0 4Q1Z Crystal structure of a DUF4876 family protein (BT_1938) from Bacteroides thetaiotaomicron VPI-5482 at 2.50 A resolution 2014-04-04 2014-04-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BT1938) from Bacteroides thetaiotaomicron VPI-5482 at 2.50 A resolution To be published 0 0 0 0 4CTV 24758147 Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl) pyridin-2-yl)propyl)-4-methylpyridin-2-amine 2014-03-15 2014-05-07 Kang, S.,Tang, W.,Li, H.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem. 2014 57 4382 0 4PP6 24771768 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol 2014-02-26 2014-05-07 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Parent, A.A.,Hughes, T.S.,Pollock, J.A.,Gjyshi, O.,Cavett, V.,Nowak, J.,Garcia-Ordonez, R.D.,Houtman, R.,Griffin, P.R.,Kojetin, D.J.,Katzenellenbogen, J.A.,Conkright, M.D.,Nettles, K.W. Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife 2014 3 0 0 4PPP 24771768 Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol 2014-02-27 2014-05-07 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Parent, A.A.,Hughes, T.S.,Pollock, J.A.,Gjyshi, O.,Cavett, V.,Nowak, J.,Garcia-Ordonez, R.D.,Houtman, R.,Griffin, P.R.,Kojetin, D.J.,Katzenellenbogen, J.A.,Conkright, M.D.,Nettles, K.W. Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network. Elife 2014 3 0 0 4N5G 24704507 Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012 2013-10-09 2014-05-14 Chen, L.,Wang, Z.G.,Aleshin, A.E.,Chen, F.,Chen, J.,Jiang, F.,Alitongbieke, G.,Zeng, Z.,Ma, Y.,Huang, M.,Zhou, H.,Cadwell, G.,Zheng, J.F.,Huang, P.Q.,Liddington, R.C.,Zhang, X.K.,Su, Y. Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site. Chem.Biol. 2014 21 596 607 4N8R 24704507 Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008 2013-10-17 2014-05-14 Chen, L.,Wang, Z.G.,Aleshin, A.E.,Chen, F.,Chen, J.,Jiang, F.,Alitongbieke, G.,Zeng, Z.,Ma, Y.,Huang, M.,Zhou, H.,Cadwell, G.,Zheng, J.F.,Huang, P.Q.,Liddington, R.C.,Zhang, X.K.,Su, Y. Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site. Chem.Biol. 2014 21 596 607 4PSY 25453083 100K crystal structure of Escherichia coli dihydrofolate reductase 2014-03-08 2014-05-14 Wan, Q.,Bennett, B.C.,Wilson, M.A.,Kovalevsky, A.,Langan, P.,Howell, E.E.,Dealwis, C. Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA 2014 22 899 910 4PTH 24882744 Ensemble model for Escherichia coli dihydrofolate reductase at 100K 2014-03-10 2014-05-14 Keedy, D.A.,van den Bedem, H.,Sivak, D.A.,Petsko, G.A.,Ringe, D.,Wilson, M.A.,Fraser, J.S. Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure 2014 22 899 910 4PTJ 24882744 Ensemble model for Escherichia coli dihydrofolate reductase at 277K 2014-03-10 2014-05-14 Keedy, D.A.,van den Bedem, H.,Sivak, D.A.,Petsko, G.A.,Ringe, D.,Wilson, M.A.,Fraser, J.S. Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure 2014 22 899 910 4P2Q 24855945 Crystal structure of the 5cc7 TCR in complex with 5c2/I-Ek 2014-03-04 2014-05-21 Birnbaum, M.E.,Mendoza, J.L.,Sethi, D.K.,Dong, S.,Glanville, J.,Dobbins, J.,Ozkan, E.,Davis, M.M.,Wucherpfennig, K.W.,Garcia, K.C. Deconstructing the Peptide-MHC Specificity of T Cell Recognition. Cell 2014 157 1073 1087 4P2R 24855945 Crystal structure of the 5cc7 TCR in complex with 5c1/I-Ek 2014-03-04 2014-05-21 Birnbaum, M.E.,Mendoza, J.L.,Sethi, D.K.,Dong, S.,Glanville, J.,Dobbins, J.,Ozkan, E.,Davis, M.M.,Wucherpfennig, K.W.,Garcia, K.C. Deconstructing the Peptide-MHC Specificity of T Cell Recognition. Cell 2014 157 1073 1087 4MU8 24760830 Crystal structure of an oxidized form of yeast iso-1-cytochrome c at pH 8.8 2013-09-20 2014-06-04 McClelland, L.J.,Mou, T.C.,Jeakins-Cooley, M.E.,Sprang, S.R.,Bowler, B.E. Structure of a mitochondrial cytochrome c conformer competent for peroxidase activity. Proc.Natl.Acad.Sci.USA 2014 111 6648 6653 4PSS 24882744 Multiconformer model for Escherichia coli dihydrofolate reductase at 100K 2014-03-07 2014-06-04 Keedy, D.A.,van den Bedem, H.,Sivak, D.A.,Petsko, G.A.,Ringe, D.,Wilson, M.A.,Fraser, J.S. Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure 2014 22 899 910 4PST 24882744 Multiconformer model for Escherichia coli dihydrofolate reductase at 277 K 2014-03-07 2014-06-04 Keedy, D.A.,van den Bedem, H.,Sivak, D.A.,Petsko, G.A.,Ringe, D.,Wilson, M.A.,Fraser, J.S. Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure 2014 22 899 910 4PUC Crystal structure of a SusD homolog (BACUNI_02643) from Bacteroides uniformis ATCC 8492 at 2.00 A resolution 2014-03-12 2014-06-04 Joint Center for Structural Genomics (JCSG) Crystal structure of a SusD homolog (BACUNI_02643) from Bacteroides uniformis ATCC 8492 at 2.00 A resolution To be published 0 0 0 0 4Q98 27062925 Crystal structure of a fimbrilin (fimA) from Porphyromonas gingivalis W83 at 1.30 A resolution (PSI Community Target, Nakayama) 2014-04-29 2014-06-04 Xu, Q.,Shoji, M.,Shibata, S.,Naito, M.,Sato, K.,Elsliger, M.A.,Grant, J.C.,Axelrod, H.L.,Chiu, H.J.,Farr, C.L.,Jaroszewski, L.,Knuth, M.W.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Curtis, M.A.,Nakayama, K.,Wilson, I.A. A Distinct Type of Pilus from the Human Microbiome. Cell 2016 165 690 703 4O9T 25574024 Mechanism of transhydrogenase coupling proton translocation and hydride transfer 2014-01-02 2014-06-11 Leung, J.H.,Schurig-Briccio, L.A.,Yamaguchi, M.,Moeller, A.,Speir, J.A.,Gennis, R.B.,Stout, C.D. Structural biology. Division of labor in transhydrogenase by alternating proton translocation and hydride transfer. Science 2015 347 178 181 4MNE 25155755 Crystal structure of the BRAF:MEK1 complex 2013-09-10 2014-06-18 Haling, J.R.,Sudhamsu, J.,Yen, I.,Sideris, S.,Sandoval, W.,Phung, W.,Bravo, B.J.,Giannetti, A.M.,Peck, A.,Masselot, A.,Morales, T.,Smith, D.,Brandhuber, B.J.,Hymowitz, S.G.,Malek, S. Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling. Cancer Cell 2014 26 402 413 4MNF 25155755 Crystal structure of BRAF-V600E bound to GDC0879 2013-09-10 2014-06-18 Haling, J.R.,Sudhamsu, J.,Yen, I.,Sideris, S.,Sandoval, W.,Phung, W.,Bravo, B.J.,Giannetti, A.M.,Peck, A.,Masselot, A.,Morales, T.,Smith, D.,Brandhuber, B.J.,Hymowitz, S.G.,Malek, S. Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling. Cancer Cell 2014 26 402 413 4PQX Crystal structure of a NigD-like protein (BACCAC_02139) from Bacteroides caccae ATCC 43185 at 2.39 A resolution 2014-03-04 2014-06-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACCAC_02139) from Bacteroides caccae ATCC 43185 at 2.39 A resolution (CASP Target) To be Published 0 0 0 0 4PUX Crystal structure of a beta-barrel like protein (ABAYE2633) from Acinetobacter baumannii AYE at 1.43 A resolution 2014-03-14 2014-06-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (ABAYE2633) from Acinetobacter baumannii AYE at 1.43 A resolution To be published 0 0 0 0 4PW1 Crystal structure of a protein with unknown function (CLOLEP_02462) from Clostridium leptum DSM 753 at 2.10 A resolution 2014-03-18 2014-06-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (CLOLEP_02462) from Clostridium leptum DSM 753 at 2.10 A resolution To be published 0 0 0 0 4PWU Crystal structure of a modulator protein MzrA (KPN_03524) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.45 A resolution 2014-03-21 2014-06-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a modulator protein MzrA (KPN_03524) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.45 A resolution To be published 0 0 0 0 4Q0Y Crystal structure of a thioesterase-like protein (CLOSPO_01618) from Clostridium sporogenes ATCC 15579 at 1.70 A resolution 2014-04-02 2014-06-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (CLOSPO_01618) from Clostridium sporogenes ATCC 15579 at 1.70 A resolution To be published 0 0 0 0 4Q34 Crystal structure of a putative esterase (BDI_1566) from Parabacteroides distasonis ATCC 8503 at 1.60 A resolution 2014-04-11 2014-06-18 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative esterase (BDI_1566) from Parabacteroides distasonis ATCC 8503 at 1.60 A resolution To be published 0 0 0 0 4P0K 24935927 Crystal Structure of Double Loop-Swapped Interleukin-36Ra 2014-02-21 2014-06-25 Gunther, S.,Sundberg, E.J. Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor. J Immunol. 2014 193 921 930 4P0L 24935927 Crystal Structure of Double Loop-Swapped Interleukin-36Ra With Additional Point Mutations 2014-02-21 2014-06-25 Gunther, S.,Sundberg, E.J. Molecular Determinants of Agonist and Antagonist Signaling through the IL-36 Receptor. J Immunol. 2014 193 921 930 4Q9A Crystal structure of a putative GDSL-like lipase (PARMER_00689) from Parabacteroides merdae ATCC 43184 at 2.86 A resolution 2014-04-30 2014-06-25 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative GDSL-like lipase (PARMER_00689) from Parabacteroides merdae ATCC 43184 at 2.86 A resolution To be published 0 0 0 0 4QFU Crystal structure of a glycoside hydrolase family 5 (BVU_2644) from Bacteroides vulgatus ATCC 8482 at 1.90 A resolution 2014-05-21 2014-07-02 Joint Center for Structural Genomics (JCSG) Crystal structure of a glycoside hydrolase family 5 (BVU_2644) from Bacteroides vulgatus ATCC 8482 at 1.90 A resolution To be published 0 0 0 0 4V9N 23769667 Crystal structure of the 70S ribosome bound with the Q253P mutant of release factor RF2. 2013-04-26 2014-07-09 Santos, N.,Zhu, J.,Donohue, J.P.,Korostelev, A.A.,Noller, H.F. Crystal Structure of the 70S Ribosome Bound with the Q253P Mutant Form of Release Factor RF2. Structure 2013 21 1258 1263 4NTK 24990950 QueD from E. coli 2013-12-02 2014-07-16 Miles, Z.D.,Roberts, S.A.,McCarty, R.M.,Bandarian, V. Biochemical and Structural Studies of 6-Carboxy-5,6,7,8-tetrahydropterin Synthase Reveal the Molecular Basis of Catalytic Promiscuity within the Tunnel-fold Superfamily. J.Biol.Chem. 2014 289 23641 23652 4Q53 Crystal structure of a DUF4783 family protein (BACUNI_04292) from Bacteroides uniformis ATCC 8492 at 1.27 A resolution 2014-04-15 2014-07-16 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_04292) from Bacteroides uniformis ATCC 8492 at 1.27 A resolution To be published 0 0 0 0 4QEY Crystal structure of a DUF4425 family protein (BACOVA_05332) from Bacteroides ovatus ATCC 8483 at 2.52 A resolution 2014-05-19 2014-07-16 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACOVA_05332) from Bacteroides ovatus ATCC 8483 at 2.52 A resolution To be published 0 0 0 0 4QO7 25037916 Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7 2014-06-19 2014-07-16 Dragovich, P.S.,Fauber, B.P.,Boggs, J.,Chen, J.,Corson, L.B.,Ding, C.Z.,Eigenbrot, C.,Ge, H.,Giannetti, A.M.,Hunsaker, T.,Labadie, S.,Li, C.,Liu, Y.,Liu, Y.,Ma, S.,Malek, S.,Peterson, D.,Pitts, K.E.,Purkey, H.E.,Robarge, K.,Salphati, L.,Sideris, S.,Ultsch, M.,VanderPorten, E.,Wang, J.,Wei, B.,Xu, Q.,Yen, I.,Yue, Q.,Zhang, H.,Zhang, X.,Zhou, A. Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett. 2014 24 3764 3771 4TL3 Mechanistic insights from the crystal structure of an inward proton-transporting Anabaena sensory rhodopsin mutant 2014-05-29 2014-07-16 Dong, B.H.,Luecke, H. Mechanistic insights from the crystal structure of an inward proton-transportingAnabaena sensory rhodopsin mutant To Be Published 0 0 0 0 4QAN Crystal structure of a cystatin-like protein (RUMGNA_02398) from Ruminococcus gnavus ATCC 29149 at 2.10 A resolution 2014-05-05 2014-07-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (RUMGNA_02398) from Ruminococcus gnavus ATCC 29149 at 2.10 A resolution To be published 0 0 0 0 4QRJ Crystal structure of a putative 6-phosphogluconolactonase (BACUNI_04672) from Bacteroides uniformis ATCC 8492 at 2.20 A resolution 2014-07-01 2014-07-23 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative 6-phosphogluconolactonase (BACUNI_04672) from Bacteroides uniformis ATCC 8492 at 2.20 A resolution To be published 0 0 0 0 4LU5 26325270 Structure of murine IgG2a A20G2-Fab in complex with vaccinia antigen A33R at the resolution of 2.9 Angstroms 2013-07-24 2014-07-30 Matho, M.H.,Schlossman, A.,Meng, X.,Benhnia, M.R.,Kaever, T.,Buller, M.,Doronin, K.,Parker, S.,Peters, B.,Crotty, S.,Xiang, Y.,Zajonc, D.M. Structural and Functional Characterization of Anti-A33 Antibodies Reveal a Potent Cross-Species Orthopoxviruses Neutralizer. Plos Pathog. 2015 11 0 0 4QDY Crystal structure of a YbbR-like protein (SP_1560) from Streptococcus pneumoniae TIGR4 at 2.74 A resolution 2014-05-14 2014-07-30 Joint Center for Structural Genomics (JCSG) Crystal structure of a conserved hypothetical protein (SP_1560) from Streptococcus pneumoniae TIGR4 at 2.74 A resolution To be published 0 0 0 0 4QHZ Crystal structure of a putative glycosyl hydrolase (BDI_3914) from Parabacteroides distasonis ATCC 8503 at 2.13 A resolution 2014-05-30 2014-07-30 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative glycosyl hydrolase (BDI_3914) from Parabacteroides distasonis ATCC 8503 at 2.13 A resolution To be published 0 0 0 0 4QJR 25288771 Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4 a resolution 2014-06-04 2014-07-30 Blind, R.D.,Sablin, E.P.,Kuchenbecker, K.M.,Chiu, H.J.,Deacon, A.M.,Das, D.,Fletterick, R.J.,Ingraham, H.A. The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1. Proc.Natl.Acad.Sci.USA 2014 111 15054 15059 4U24 24957822 Crystal structure of the E. coli ribosome bound to dalfopristin. 2014-07-16 2014-07-30 Noeske, J.,Huang, J.,Olivier, N.B.,Giacobbe, R.A.,Zambrowski, M.,Cate, J.H. Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother. 2014 58 5269 5279 4U24 24957822 Crystal structure of the E. coli ribosome bound to dalfopristin. 2014-07-16 2014-07-30 Noeske, J.,Huang, J.,Olivier, N.B.,Giacobbe, R.A.,Zambrowski, M.,Cate, J.H. Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother. 2014 58 5269 5279 4LQF 26325270 Structure of murine IgG2b A2C7-Fab in complex with vaccinia antigen A33R at the resolution of 2.3 Angstroms 2013-07-17 2014-08-06 Matho, M.H.,Schlossman, A.,Meng, X.,Benhnia, M.R.,Kaever, T.,Buller, M.,Doronin, K.,Parker, S.,Peters, B.,Crotty, S.,Xiang, Y.,Zajonc, D.M. Structural and Functional Characterization of Anti-A33 Antibodies Reveal a Potent Cross-Species Orthopoxviruses Neutralizer. Plos Pathog. 2015 11 0 0 4M1G 26325270 Structure of murine IgG2a A27D7-Fab in complex with vaccinia antigen A33R at the resolution of 1.6 Angstroms 2013-08-02 2014-08-06 Matho, M.H.,Schlossman, A.,Meng, X.,Benhnia, M.R.,Kaever, T.,Buller, M.,Doronin, K.,Parker, S.,Peters, B.,Crotty, S.,Xiang, Y.,Zajonc, D.M. Structural and Functional Characterization of Anti-A33 Antibodies Reveal a Potent Cross-Species Orthopoxviruses Neutralizer. Plos Pathog. 2015 11 0 0 4U6H 25031354 Vaccinia L1/M12B9-Fab complex 2014-07-29 2014-08-06 Kaever, T.,Meng, X.,Matho, M.H.,Schlossman, A.,Li, S.,Sela-Culang, I.,Ofran, Y.,Buller, M.,Crump, R.W.,Parker, S.,Frazier, A.,Crotty, S.,Zajonc, D.M.,Peters, B.,Xiang, Y. Potent neutralization of vaccinia virus by divergent murine antibodies targeting a common site of vulnerability in l1 protein. J.Virol. 2014 88 11339 11355 4CX7 25089924 Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE 2014-04-03 2014-08-13 Li, H.,Jamal, J.,Delker, S.L.,Plaza, C.,Ji, H.,Jing, Q.,Huang, H.,Kang, S.,Silverman, R.B.,Poulos, T.L. Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry 2014 53 5272 0 4QU6 Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 1.75 A resolution 2014-07-10 2014-08-13 Joint Center for Structural Genomics (JCSG),Partnership for T-Cell Biology (TCELL) Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 1.75 A resolution To be published 0 0 0 0 4QU7 Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 2.50 A resolution 2014-07-10 2014-08-13 Joint Center for Structural Genomics (JCSG),Partnership for T-Cell Biology (TCELL) Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 2.50 A resolution To be published 0 0 0 0 4QPV Crystal structure of a DUF1672 family protein (SAV1486) from Staphylococcus aureus subsp. aureus Mu50 at 1.80 A resolution 2014-06-25 2014-08-20 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (SAV1486) from Staphylococcus aureus subsp. aureus Mu50 at 1.80 A resolution To be published 0 0 0 0 4UPR 25149509 Structure of bovine endothelial nitric oxide synthase heme domain in complex with N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide 2014-06-17 2014-08-20 Jing, Q.,Li, H.,Roman, L.J.,Martasek, P.,Poulos, T.L.,Silverman, R.B. Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett. 2014 24 4504 0 4UPS 25149509 Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl) phenyl]thiophene-2-carboximidamide 2014-06-17 2014-08-20 Jing, Q.,Li, H.,Roman, L.J.,Martasek, P.,Poulos, T.L.,Silverman, R.B. Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett. 2014 24 4504 0 4UPT 25149509 structure of bovine endothelial nitric oxide synthase heme domain in complex with n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide 2014-06-17 2014-08-20 Jing, Q.,Li, H.,Roman, L.J.,Martasek, P.,Poulos, T.L.,Silverman, R.B. Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett. 2014 24 4504 0 4QRL Crystal structure of a lipocalin-like protein (BACUNI_01346) from Bacteroides uniformis ATCC 8492 at 1.79 A resolution 2014-07-01 2014-08-27 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BACUNI_01346) from Bacteroides uniformis ATCC 8492 at 1.79 A resolution To be Published 0 0 0 0 4R1M Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.48 A resolution 2014-08-06 2014-08-27 Joint Center for Structural Genomics (JCSG) Crystal structure of a Hypothetical Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.48 A resolution To be published 0 0 0 0 4R5O Crystal structure of a Quinonprotein alcohol dehydrogenase-like protein (BT1487) from Bacteroides thetaiotaomicron VPI-5482 at 2.64 A resolution 2014-08-21 2014-09-10 Joint Center for Structural Genomics (JCSG) Crystal structure of a Quinonprotein alcohol dehydrogenase-like protein (BT1487) from Bacteroides thetaiotaomicron VPI-5482 at 2.64 A resolution To be published 0 0 0 0 4R4G Crystal structure of a putative lipoprotein (ycdA) from Bacillus subtilis subsp. subtilis str. 168 at 2.62 A resolution 2014-08-19 2014-09-17 Joint Center for Structural Genomics (JCSG) Crystal structure of a putative lipoprotein (ycdA) from Bacillus subtilis subsp. subtilis str. 168 at 2.62 A resolution To be published 0 0 0 0 4R8O 31306512 Crystal structure of a DUF3836 family protein (BVU_1206) from Bacteroides vulgatus ATCC 8482 at 2.50 A resolution 2014-09-02 2014-09-17 Xu, Q.,Biancalana, M.,Grant, J.C.,Chiu, H.J.,Jaroszewski, L.,Knuth, M.W.,Lesley, S.A.,Godzik, A.,Elsliger, M.A.,Deacon, A.M.,Wilson, I.A. Structures of single-layer beta-sheet proteins evolved from beta-hairpin repeats. Protein Sci. 2019 28 1676 1689 4U7Z 25193232 Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 2014-07-31 2014-09-24 Robarge, K.D.,Lee, W.,Eigenbrot, C.,Ultsch, M.,Wiesmann, C.,Heald, R.,Price, S.,Hewitt, J.,Jackson, P.,Savy, P.,Burton, B.,Choo, E.F.,Pang, J.,Boggs, J.,Yang, A.,Yang, X.,Baumgardner, M. Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett. 2014 24 4714 4723 4MX7 Structure of mouse CD1d in complex with dioleoyl-phosphatidic acid 2013-09-25 2014-10-01 Wang, J.,Zajonc, D.M. TBN To be Published 0 0 0 0 4R1K Crystal structure of a NTF2-like protein (EUBSIR_01394) from Eubacterium siraeum DSM 15702 at 2.56 A resolution 2014-08-06 2014-10-01 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (EUBSIR_01394) from Eubacterium siraeum DSM 15702 at 2.56 A resolution To be published 0 0 0 0 4RBO 25825768 Crystal structure of a Nanog homeobox (NANOG) from Homo sapiens at 3.30 A resolution 2014-09-12 2014-10-01 Hayashi, Y.,Caboni, L.,Das, D.,Yumoto, F.,Clayton, T.,Deller, M.C.,Nguyen, P.,Farr, C.L.,Chiu, H.J.,Miller, M.D.,Elsliger, M.A.,Deacon, A.M.,Godzik, A.,Lesley, S.A.,Tomoda, K.,Conklin, B.R.,Wilson, I.A.,Yamanaka, S.,Fletterick, R.J. Structure-based discovery of NANOG variant with enhanced properties to promote self-renewal and reprogramming of pluripotent stem cells. Proc.Natl.Acad.Sci.USA 2015 112 4666 4671 4WEE High-resolution structure of Synaptotagmin 1 C2A 2014-09-09 2014-10-01 Sutton, R.B. High-resolution structure of Synaptotagmin 1 C2A To Be Published 0 0 0 0 4NOV 25195890 Xsa43E, a GH43 family enzyme from Butyrivibrio proteoclasticus 2013-11-20 2014-10-08 Till, M.,Goldstone, D.,Card, G.,Attwood, G.T.,Moon, C.D.,Arcus, V.L. Structural analysis of the GH43 enzyme Xsa43E from Butyrivibrio proteoclasticus ACTA CRYSTALLOGR.,SECT.F 2014 70 1193 1198 4RAA Crystal structure of a Putative exported protein (BF0058) from Bacteroides fragilis NCTC 9343 at 2.60 A resolution 2014-09-09 2014-10-15 Joint Center for Structural Genomics (JCSG) Crystal structure of a Putative exported protein (BF0058) from Bacteroides fragilis NCTC 9343 at 2.60 A resolution To be published 0 0 0 0 4RGC 25453083 277K Crystal structure of Escherichia Coli dihydrofolate reductase 2014-09-29 2014-10-15 Wan, Q.,Bennett, B.C.,Wilson, M.A.,Kovalevsky, A.,Langan, P.,Howell, E.E.,Dealwis, C. Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA 2014 111 18225 18230 4NWT 25320089 Crystal structure of the anti-human NGF Fab APE1531 2013-12-06 2014-10-22 Bowers, P.M.,Verdino, P.,Wang, Z.,da Silva Correia, J.,Chhoa, M.,Macondray, G.,Do, M.,Neben, T.Y.,Horlick, R.A.,Stanfield, R.L.,Wilson, I.A.,King, D.J. Nucleotide insertions and deletions complement point mutations to massively expand the diversity created by somatic hypermutation of antibodies. J.Biol.Chem. 2014 289 33557 33567 4QNW 25286934 Crystal structure of EasA, an old yellow enzyme from Aspergillus fumigatus 2014-06-18 2014-10-22 Chilton, A.S.,Ellis, A.L.,Lamb, A.L. Structure of an Aspergillus fumigatus old yellow enzyme (EasA) involved in ergot alkaloid biosynthesis. Acta Crystallogr.,Sect.F 2014 70 1328 1332 4RGL Crystal structure of a Fic family protein (Dde_2494) from Desulfovibrio desulfuricans G20 at 2.70 A resolution 2014-09-30 2014-10-29 Joint Center for Structural Genomics (JCSG) Crystal structure of a Fic family protein (Dde_2494) from Desulfovibrio desulfuricans G20 at 2.70 A resolution To be published 0 0 0 0 4W5N 25359968 The Crystal Structure of Human Argonaute2 Bound to a Defined Guide RNA 2014-08-18 2014-11-12 Schirle, N.T.,Sheu-Gruttadauria, J.,MacRae, I.J. Gene regulation. Structural basis for microRNA targeting. Science 2014 346 608 613 4W5Q 25359968 The Crystal Structure of Human Argonaute2 Bound to a Guide and Target RNA Containing Seed Pairing from 2-8 2014-08-18 2014-11-12 Schirle, N.T.,Sheu-Gruttadauria, J.,MacRae, I.J. Gene regulation. Structural basis for microRNA targeting. Science 2014 346 608 613 4RKV 25861762 Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions 2014-10-14 2014-11-19 Fyfe, A.C.,Dunten, P.W.,Martick, M.M.,Scott, W.G. Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions. J.Mol.Biol. 2015 427 2205 2219 4RQQ 25422458 Crystal structure of human Fab PGDM1400, a broadly reactive and potent HIV-1 neutralizing antibody 2014-11-04 2014-11-19 Sok, D.,van Gils, M.J.,Pauthner, M.,Julien, J.P.,Saye-Francisco, K.L.,Hsueh, J.,Briney, B.,Lee, J.H.,Le, K.M.,Lee, P.S.,Hua, Y.,Seaman, M.S.,Moore, J.P.,Ward, A.B.,Wilson, I.A.,Sanders, R.W.,Burton, D.R. Recombinant HIV envelope trimer selects for quaternary-dependent antibodies targeting the trimer apex. Proc.Natl.Acad.Sci.USA 2014 111 17624 17629 4NNO 25752540 Crystal Structure of Manganese ABC transporter substrate-binding protein MntC from Staphylococcus Aureus bound to a Zinc ion 2013-11-18 2014-11-26 Ahuja, S.,Rouge, L.,Swem, D.L.,Sudhamsu, J.,Wu, P.,Russell, S.J.,Alexander, M.K.,Tam, C.,Nishiyama, M.,Starovasnik, M.A.,Koth, C.M. Structural analysis of bacterial ABC transporter inhibition by an antibody fragment. Structure 2015 23 713 723 4TU7 25422459 Structure of U2AF65 D231V variant with BrU5 DNA 2014-06-24 2014-11-26 Agrawal, A.A.,McLaughlin, K.J.,Jenkins, J.L.,Kielkopf, C.L. Structure-guided U2AF65 variant improves recognition and splicing of a defective pre-mRNA. Proc.Natl.Acad.Sci.USA 2014 111 17420 17425 4RHO Crystal structure of a hypothetical protein (BPSL2088) from Burkholderia pseudomallei K96243 at 2.25 A resolution 2014-10-02 2014-12-10 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (BPSL2088) from Burkholderia pseudomallei K96243 at 2.25 A resolution To be published 0 0 0 0 4QBT 25533949 Crystal structure of tyrosine bound human tyrosyl tRNA synthetase 2014-05-08 2014-12-17 Sajish, M.,Schimmel, P. A human tRNA synthetase is a potent PARP1-activating effector target for resveratrol. Nature 2014 519 370 373 4R7F Crystal structure of a hypothetical protein (PARMER_01801) from Parabacteroides merdae ATCC 43184 at 2.30 A resolution 2014-08-27 2014-12-17 Joint Center for Structural Genomics (JCSG) Crystal structure of a hypothetical protein (PARMER_01801) from Parabacteroides merdae ATCC 43184 at 2.30 A resolution To be published 0 0 0 0 4D34 25489882 Structure of bovine endothelial nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine 2014-10-20 2014-12-24 Mukherjee, P.,Li, H.,Sevrioukova, I.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem. 2015 58 1067 0 4D3B 25489882 Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3- fluorophenethyl)ethane-1,2-diamine 2014-10-20 2014-12-24 Mukherjee, P.,Li, H.,Sevrioukova, I.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem. 2015 58 1067 0 4R68 25466195 Lactate Dehydrogenase in complex with inhibitor compound 31 2014-08-22 2014-12-24 Labadie, S.,Dragovich, P.S.,Chen, J.,Fauber, B.P.,Boggs, J.,Corson, L.B.,Ding, C.Z.,Eigenbrot, C.,Ge, H.,Ho, Q.,Lai, K.W.,Ma, S.,Malek, S.,Peterson, D.,Purkey, H.E.,Robarge, K.,Salphati, L.,Sideris, S.,Ultsch, M.,VanderPorten, E.,Wei, B.,Xu, Q.,Yen, I.,Yue, Q.,Zhang, H.,Zhang, X.,Zhou, A. Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett. 2014 25 75 82 4V3V 25489882 Structure of rat neuronal nitric oxide synthase heme domain in complex with N-(2-(1H-imidazol-1-yl)-4-pyrimidylmethyl)-3-(3- fluorophenyl)propan-1-amine 2014-10-20 2014-12-24 Mukherjee, P.,Li, H.,Sevrioukova, I.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem. 2015 58 1067 0 4V3W 25489882 Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine 2014-10-20 2014-12-24 Mukherjee, P.,Li, H.,Sevrioukova, I.,Chreifi, G.,Martasek, P.,Roman, L.J.,Poulos, T.L.,Silverman, R.B. Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem. 2015 58 1067 0 4O93 25574024 Crystal structure of Thermus thermophilis transhydrogeanse domain II dimer 2013-12-31 2014-12-31 Leung, J.H.,Schurig-Briccio, L.A.,Yamaguchi, M.,Moeller, A.,Speir, J.A.,Gennis, R.B.,Stout, C.D. Structural biology. Division of labor in transhydrogenase by alternating proton translocation and hydride transfer. Science 2015 347 178 181 4D3T 25522110 Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide 2014-10-23 2015-01-14 Holden, J.K.,Kang, S.,Hollingsworth, S.A.,Li, H.,Lim, N.,Chen, S.,Huang, H.,Xue, F.,Tang, W.,Silverman, R.B.,Poulos, T.L. Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem. 2015 58 994 0 4D3U 25522110 Structure of Bacillus subtilis Nitric Oxide Synthase H128S in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide 2014-10-23 2015-01-14 Holden, J.K.,Kang, S.,Hollingsworth, S.A.,Li, H.,Lim, N.,Chen, S.,Huang, H.,Xue, F.,Tang, W.,Silverman, R.B.,Poulos, T.L. Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem. 2015 58 994 0 4TSM 25599642 MBP-fusion protein of PilA1 from C. difficile R20291 residues 26-166 2014-06-19 2015-01-14 Piepenbrink, K.H.,Maldarelli, G.A.,Martinez de la Pena, C.F.,Dingle, T.C.,Mulvey, G.L.,Lee, A.,von Rosenvinge, E.,Armstrong, G.D.,Donnenberg, M.S.,Sundberg, E.J. Structural and Evolutionary Analyses Show Unique Stabilization Strategies in the Type IV Pili of Clostridium difficile. Structure 2015 23 385 396 4PS0 25079698 Caspase-8 specific unnatural amino acid peptides 2014-03-06 2015-01-21 Vickers, C.J.,Gonzalez-Paez, G.E.,Litwin, K.M.,Umotoy, J.C.,Coutsias, E.A.,Wolan, D.W. Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol. 2014 9 2194 2198 4PS1 25079698 Caspase-8 specific unnatural amino acid peptides 2014-03-06 2015-01-21 Vickers, C.J.,Gonzalez-Paez, G.E.,Litwin, K.M.,Umotoy, J.C.,Coutsias, E.A.,Wolan, D.W. Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol. 2014 9 2194 2198 4RWV Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1, NR5A2) in complex with a co-regulator DAX-1 (NR0B1) peptide at 1.86 A resolution 2014-12-05 2015-01-21 Joint Center for Structural Genomics (JCSG),Partnership for Stem Cell Biology Crystal structure of a Homo sapiens hepatocytic transcription factor hB1F-2 (B1F2) in complex with nuclear receptor subfamily 0 group B member 1 (NR0B1, residues 140-154) from human at 1.86 A resolution To be published 0 0 0 0 4RPI 25631047 Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase from Mycobacterium tuberculosis 2014-10-30 2015-01-28 Rodionova, I.A.,Zuccola, H.J.,Sorci, L.,Aleshin, A.E.,Kazanov, M.D.,Ma, C.T.,Sergienko, E.,Rubin, E.J.,Locher, C.P.,Osterman, A.L. Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery. J. Biol. Chem. 2015 290 7693 7706 4W4W 25623238 JNK2/3 in complex with N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide 2014-08-15 2015-02-11 Park, H.,Iqbal, S.,Hernandez, P.,Mora, R.,Zheng, K.,Feng, Y.,LoGrasso, P. Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep 2015 5 8047 8047 4W4Y 25623238 JNK2/3 in complex with 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide 2014-08-15 2015-02-11 Park, H.,Iqbal, S.,Hernandez, P.,Mora, R.,Zheng, K.,Feng, Y.,LoGrasso, P. Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep 2015 5 8047 8047 4XLL Toxoplasma gondii DJ-1, oxidized 2015-01-13 2015-02-11 Child, M.A.,Garland, M.,Madzelan, P.,Treeck, M.,van der Linden, W.,Oresic, K.,Weerapana, E.,Wilson, M.A.,Boothroyd, J.C.,Reese, M.L.,Bogyo, M. Toxoplasma DJ-1 regulates microneme exocytosis through an association with the plant-like kinase, CDPK1 To Be Published 0 0 0 0 4Q9H 25760620 P-glycoprotein at 3.4 A resolution 2014-05-01 2015-03-04 Szewczyk, P.,Tao, H.,McGrath, A.P.,Villaluz, M.,Rees, S.D.,Lee, S.C.,Doshi, R.,Urbatsch, I.L.,Zhang, Q.,Chang, G. Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D 2015 71 732 741 4Q9K 25760620 P-glycoprotein cocrystallised with QZ-Leu 2014-05-01 2015-03-04 Szewczyk, P.,Tao, H.,McGrath, A.P.,Villaluz, M.,Rees, S.D.,Lee, S.C.,Doshi, R.,Urbatsch, I.L.,Zhang, Q.,Chang, G. Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D 2015 71 732 741 4WLP 25702872 Crystal structure of UCH37-NFRKB Inhibited Deubiquitylating Complex 2014-10-07 2015-03-04 VanderLinden, R.T.,Hemmis, C.W.,Schmitt, B.,Ndoja, A.,Whitby, F.G.,Robinson, H.,Cohen, R.E.,Yao, T.,Hill, C.P. Structural Basis for the Activation and Inhibition of the UCH37 Deubiquitylase. Mol.Cell 2015 57 901 911 4YER Crystal structure of an ABC transporter ATP-binding protein (TM_1403) from Thermotoga maritima MSB8 at 2.35 A resolution 2015-02-24 2015-03-11 Joint Center for Structural Genomics (JCSG) Crystal structure of an ABC transporter ATP-binding protein (TM_1403) from Thermotoga maritima MSB8 at 2.35 A resolution To be published 0 0 0 0 4S03 25700516 Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79I, and F123A mutant 2014-12-30 2015-03-18 Pearson, A.D.,Mills, J.H.,Song, Y.,Nasertorabi, F.,Han, G.W.,Baker, D.,Stevens, R.C.,Schultz, P.G. Transition states. Trapping a transition state in a computationally designed protein bottle. Science 2015 347 863 867 4S0I 25700516 Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123A mutant 2014-12-31 2015-03-18 Pearson, A.D.,Mills, J.H.,Song, Y.,Nasertorabi, F.,Han, G.W.,Baker, D.,Stevens, R.C.,Schultz, P.G. Transition states. Trapping a transition state in a computationally designed protein bottle. Science 2015 347 863 867 4S0J 25700516 Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123V mutant 2014-12-31 2015-03-18 Pearson, A.D.,Mills, J.H.,Song, Y.,Nasertorabi, F.,Han, G.W.,Baker, D.,Stevens, R.C.,Schultz, P.G. Transition states. Trapping a transition state in a computationally designed protein bottle. Science 2015 347 863 867 4S0K 25700516 Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79V, and 123A mutant 2014-12-31 2015-03-18 Pearson, A.D.,Mills, J.H.,Song, Y.,Nasertorabi, F.,Han, G.W.,Baker, D.,Stevens, R.C.,Schultz, P.G. Transition states. Trapping a transition state in a computationally designed protein bottle. Science 2015 347 863 867 4S0L 25700516 Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79V, and F123V mutant 2014-12-31 2015-03-18 Pearson, A.D.,Mills, J.H.,Song, Y.,Nasertorabi, F.,Han, G.W.,Baker, D.,Stevens, R.C.,Schultz, P.G. Transition states. Trapping a transition state in a computationally designed protein bottle. Science 2015 347 863 867 4XKD 25766295 Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus 2015-01-11 2015-04-01 Tzarum, N.,de Vries, R.P.,Zhu, X.,Yu, W.,McBride, R.,Paulson, J.C.,Wilson, I.A. Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus. Cell Host Microbe 2015 17 369 376 4XQ5 25766296 Human-infecting H10N8 influenza virus retains strong preference for avian-type receptors 2015-01-19 2015-04-01 Zhang, H.,de Vries, R.P.,Tzarum, N.,Zhu, X.,Yu, W.,McBride, R.,Paulson, J.C.,Wilson, I.A. A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors. Cell Host Microbe 2015 17 377 384 4YUD Crystal structure of a RNA binding motif protein 39 (RBM39) from Homo sapiens at 1.28 A resolution 2015-03-18 2015-04-01 Joint Center for Structural Genomics (JCSG),Partnership for T-Cell Biology (TCELL) Crystal structure of a RNA binding motif protein 39 (RBM39) from Homo sapiens at 1.28 A resolution To be published 0 0 0 0 4QGT 27128252 The Crystal Structure of Human IgG Fc Domain with Enhanced Aromatic Sequon 2014-05-25 2015-04-08 Chen, W.,Kong, L.,Connelly, S.,Dendle, J.M.,Liu, Y.,Wilson, I.A.,Powers, E.T.,Kelly, J.W. Stabilizing the CH2 Domain of an Antibody by Engineering in an Enhanced Aromatic Sequon. Acs Chem.Biol. 2016 11 1852 1861 4X5U 25837254 X-ray crystal structure of CagL at pH 4.2 2014-12-05 2015-04-08 Bonsor, D.A.,Pham, K.T.,Beadenkopf, R.,Diederichs, K.,Haas, R.,Beckett, D.,Fischer, W.,Sundberg, E.J. Integrin Engagement by the Helical RGD Motif of the Helicobacter pylori CagL Protein Is Regulated by pH-induced Displacement of a Neighboring Helix. J.Biol.Chem. 2015 290 12929 12940 4Z2X Crystal structure of a RNA binding domain of a U2 small nuclear ribonucleoprotein auxiliary factor 2 (U2AF) from mouse at 2.15 A resolution 2015-03-30 2015-04-08 Joint Center for Structural Genomics (JCSG),Partnership for T-Cell Biology (TCELL) Crystal structure of a RNA binding domain of a U2 small nuclear ribonucleoprotein auxiliary factor 2 (U2AF) from mouse at 2.15 A resolution To be published 0 0 0 0 4QQL 25752542 Crystal structure of C1QL3 in P1 space group 2014-06-27 2015-04-22 Ressl, S.,Vu, B.K.,Vivona, S.,Martinelli, D.C.,Sudhof, T.C.,Brunger, A.T. Structures of C1q-like Proteins Reveal Unique Features among the C1q/TNF Superfamily. Structure 2015 23 688 699 4QQO 25752542 Crystal structure of C1QL3 mutant D205A 2014-06-27 2015-04-22 Ressl, S.,Vu, B.K.,Vivona, S.,Martinelli, D.C.,Sudhof, T.C.,Brunger, A.T. Structures of C1q-like Proteins Reveal Unique Features among the C1q/TNF Superfamily. Structure 2015 23 688 699 4R0Z 25850673 A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo 2014-08-03 2015-04-29 Choi, H.J.,Loveless, T.,Lynch, A.M.,Bang, I.,Hardin, J.,Weis, W.I. A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo Dev.Cell 2015 33 82 93 4R0Z 25850673 A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo 2014-08-03 2015-04-29 Choi, H.J.,Loveless, T.,Lynch, A.M.,Bang, I.,Hardin, J.,Weis, W.I. A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo Dev.Cell 2015 33 82 93 4R10 25850673 A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo 2014-08-03 2015-04-29 Choi, H.J.,Loveless, T.,Lynch, A.M.,Bang, I.,Hardin, J.,Weis, W.I. A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo Dev.Cell 2015 33 82 93 4R10 25850673 A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo 2014-08-03 2015-04-29 Choi, H.J.,Loveless, T.,Lynch, A.M.,Bang, I.,Hardin, J.,Weis, W.I. A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo Dev.Cell 2015 33 82 93 4R11 25850673 A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo 2014-08-03 2015-04-29 Choi, H.J.,Loveless, T.,Lynch, A.M.,Bang, I.,Hardin, J.,Weis, W.I. A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo Dev.Cell 2015 33 82 93 4R11 25850673 A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo 2014-08-03 2015-04-29 Choi, H.J.,Loveless, T.,Lynch, A.M.,Bang, I.,Hardin, J.,Weis, W.I. A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo Dev.Cell 2015 33 82 93 4YR1 25902402 Crystal Structure of E. Coli Alkaline Phosphatase D101A/D153A in complex with inorganic phosphate 2015-03-13 2015-04-29 Sunden, F.,Peck, A.,Salzman, J.,Ressl, S.,Herschlag, D. Extensive site-directed mutagenesis reveals interconnected functional units in the Alkaline Phosphatase active site. Elife 2015 4 0 0 5AGM 25874809 Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid 2015-02-02 2015-04-29 Tang, W.,Li, H.,Doud, E.H.,Chen, Y.,Choing, S.,Plaza, C.,Kelleher, N.L.,Poulos, T.L.,Silverman, R.B. Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc. 2015 137 5980 0 5AGO 25874809 Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid 2015-02-02 2015-04-29 Tang, W.,Li, H.,Doud, E.H.,Chen, Y.,Choing, S.,Plaza, C.,Kelleher, N.L.,Poulos, T.L.,Silverman, R.B. Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc. 2015 137 5980 0 4WC8 25915729 Heterogeneous dodecamer formed from macrocycles containing a sequence from beta-2-microglobulin(63-69). 2014-09-04 2015-05-06 Spencer, R.K.,Kreutzer, A.G.,Salveson, P.J.,Li, H.,Nowick, J.S. X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin. J.Am.Chem.Soc. 2015 137 6304 6311 4XRY 25781223 Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex 2015-01-21 2015-05-20 Brodney, M.A.,Beck, E.M.,Butler, C.R.,Barreiro, G.,Johnson, E.F.,Riddell, D.,Parris, K.,Nolan, C.E.,Fan, Y.,Atchison, K.,Gonzales, C.,Robshaw, A.E.,Doran, S.D.,Bundesmann, M.W.,Buzon, L.,Dutra, J.,Henegar, K.,LaChapelle, E.,Hou, X.,Rogers, B.N.,Pandit, J.,Lira, R.,Martinez-Alsina, L.,Mikochik, P.,Murray, J.C.,Ogilvie, K.,Price, L.,Sakya, S.M.,Yu, A.,Zhang, Y.,O'Neill, B.T. Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem. 2015 58 3223 3252 4YUO 26422513 High-resolution multiconformer synchrotron model of CypA at 273 K 2015-03-18 2015-05-20 Keedy, D.A.,Kenner, L.R.,Warkentin, M.,Woldeyes, R.A.,Hopkins, J.B.,Thompson, M.C.,Brewster, A.S.,Van Benschoten, A.H.,Baxter, E.L.,Uervirojnangkoorn, M.,McPhillips, S.E.,Song, J.,Alonso-Mori, R.,Holton, J.M.,Weis, W.I.,Brunger, A.T.,Soltis, S.M.,Lemke, H.,Gonzalez, A.,Sauter, N.K.,Cohen, A.E.,van den Bedem, H.,Thorne, R.E.,Fraser, J.S. Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife 2015 4 0 0 4ZJ2 26038548 Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli :E166N mutant 2015-04-28 2015-05-20 Xiao, H.,Nasertorabi, F.,Choi, S.H.,Han, G.W.,Reed, S.A.,Stevens, R.C.,Schultz, P.G. Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA 2015 112 6961 6966 4PNF 26457432 Glutathione S-Transferase from Drosophila melanogaster - isozyme E6 2014-05-23 2015-05-27 Scian, M.,Le Trong, I.,Mazari, A.M.,Mannervik, B.,Atkins, W.M.,Stenkamp, R.E. Comparison of epsilon- and delta-class glutathione S-transferases: the crystal structures of the glutathione S-transferases DmGSTE6 and DmGSTE7 from Drosophila melanogaster. Acta Crystallogr.,Sect.D 2015 71 2089 2098 4PNG 26457432 Glutathione S-transferase from Drosophila melanogaster - isozyme E7 2014-05-23 2015-05-27 Scian, M.,Le Trong, I.,Mazari, A.M.,Mannervik, B.,Atkins, W.M.,Stenkamp, R.E. Comparison of epsilon- and delta-class glutathione S-transferases: the crystal structures of the glutathione S-transferases DmGSTE6 and DmGSTE7 from Drosophila melanogaster. Acta Crystallogr.,Sect.D 2015 71 2089 2098 4Y4K Crystal structure of the mCD1d/EF77/iNKTCR ternary complex 2015-02-10 2015-05-27 Birkholz, A.,Nemcovic, M.,Yu, E.D.,Girardi, E.,Wang, J.,Khurana, A.,Pauwels, N.,Franck, R.W.,Tsuji, M.,Howell, A.,Calenbergh, S.,Kronenberg, M.,Zajonc, D.M. Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells To Be Published 0 0 0 0 4WZX 26011858 ULK3 regulates cytokinetic abscission by phosphorylating ESCRT-III proteins 2014-11-20 2015-06-03 Caballe, A.,Wenzel, D.M.,Agromayor, M.,Alam, S.L.,Skalicky, J.J.,Kloc, M.,Carlton, J.G.,Labrador, L.,Sundquist, W.I.,Martin-Serrano, J. ULK3 regulates cytokinetic abscission by phosphorylating ESCRT-III proteins. Elife 2015 4 0 0 4Y16 26018083 Crystal structure of the mCD1d/NC-aGC/iNKTCR ternary complex 2015-02-06 2015-06-03 Birkholz, A.,Nemcovic, M.,Yu, E.D.,Girardi, E.,Wang, J.,Khurana, A.,Pauwels, N.,Farber, E.,Chitale, S.,Franck, R.W.,Tsuji, M.,Howell, A.,Van Calenbergh, S.,Kronenberg, M.,Zajonc, D.M. Lipid and Carbohydrate Modifications of alpha-Galactosylceramide Differently Influence Mouse and Human Type I Natural Killer T Cell Activation. J.Biol.Chem. 2015 290 17206 17217 4YAQ 25985274 Crystal structure of a computationally optimized PG9 mutant 2015-02-17 2015-06-03 Willis, J.R.,Sapparapu, G.,Murrell, S.,Julien, J.P.,Singh, V.,King, H.G.,Xia, Y.,Pickens, J.A.,LaBranche, C.C.,Slaughter, J.C.,Montefiori, D.C.,Wilson, I.A.,Meiler, J.,Crowe, J.E. Redesigned HIV antibodies exhibit enhanced neutralizing potency and breadth. J.Clin.Invest. 2015 125 2523 2531 4QHV 26057816 Crystal structure of human dihydrofolate reductase as complex with pyridopyrimidine 22 (N~6~-METHYL-N~6~-[4-(PROPAN-2-YL)PHENYL]PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE) 2014-05-29 2015-06-10 Cody, V.,Pace, J.,Namjoshi, O.A.,Gangjee, A. Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase. Acta Crystallogr F Struct Biol 2015 71 799 803 4QJC 26057816 Human dihydrofolate reductase ternary complex with NADPH and inhibitor 26 (N~6~-METHYL-N~6~-(3,4,5-TRIFLUOROPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE) 2014-06-03 2015-06-10 Cody, V.,Pace, J.,Namjoshi, O.A.,Gangjee, A. Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase. Acta Crystallogr F Struct Biol 2015 71 799 803 4QJZ 26057816 Pneumocystis carinii dihydrofolate reductase ternary complex with NADPH and the inhibitor 24, (N~6~-METHYL-N~6~-(NAPHTHALEN-1-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE) 2014-06-05 2015-06-10 Cody, V.,Pace, J.,Namjoshi, O.A.,Gangjee, A. Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase. Acta Crystallogr F Struct Biol 2015 71 799 803 4UG8 26062720 Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(5-((3R,4R)-4-((6-azanyl-4-methyl-pyridin-2-yl)methyl)pyrrolidin-3- yl)oxypentyl)-4-methyl-pyridin-2-amine 2015-03-22 2015-06-24 Holden, J.K.,Dejam, D.,Lewis, M.C.,Huang, H.,Kang, S.,Jing, Q.,Xue, F.,Silverman, R.B.,Poulos, T.L. Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry 2015 54 4075 0 4UGB 26062720 Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(((5-(((2-(3-fluorophenyl)ethyl)amino)methyl)pyridin-3-yl)oxy) methyl)-4-methylpyridin-2-amine 2015-03-22 2015-06-24 Holden, J.K.,Dejam, D.,Lewis, M.C.,Huang, H.,Kang, S.,Jing, Q.,Xue, F.,Silverman, R.B.,Poulos, T.L. Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry 2015 54 4075 0 4UGJ 26062720 Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino) ethyl)amino)benzonitrile 2015-03-22 2015-06-24 Holden, J.K.,Dejam, D.,Lewis, M.C.,Huang, H.,Kang, S.,Jing, Q.,Xue, F.,Silverman, R.B.,Poulos, T.L. Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry 2015 54 4075 0 4UGL 26062720 Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1- cyclopropyl-N2-methylethane-1,2-diamine 2015-03-22 2015-06-24 Holden, J.K.,Dejam, D.,Lewis, M.C.,Huang, H.,Kang, S.,Jing, Q.,Xue, F.,Silverman, R.B.,Poulos, T.L. Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry 2015 54 4075 0 5A1P 26066995 Crystal structure of cytochrome P450 3A4 bound to progesterone and citrate 2015-05-04 2015-06-24 Sevrioukova, I.F.,Poulos, T.L. Anion-Dependent Stimulation of Cyp3A4 Monooxygenase. Biochemistry 2015 54 4083 0 4D7J 26091171 Structure of Bacillus subtilis nitric oxide synthase in complex with 6-(4-(((3-Fluorophenethyl)amino)methyl)phenyl)-4-methylpyridin-2- amine 2014-11-25 2015-07-01 Holden, J.K.,Kang, S.,Beasley, F.C.,Cinelli, M.A.,Li, H.,Roy, S.G.,Dejam, D.,Edinger, A.L.,Nizet, V.,Silverman, R.B.,Poulos, T.L. Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus Aureus. Chem.Biol. 2015 22 785 0 4R2U 26068133 Crystal Structure of PPARgamma in complex with SR1664 2014-08-13 2015-07-01 Marciano, D.P.,Kuruvilla, D.S.,Boregowda, S.V.,Asteian, A.,Hughes, T.S.,Garcia-Ordonez, R.,Corzo, C.A.,Khan, T.M.,Novick, S.J.,Park, H.,Kojetin, D.J.,Phinney, D.G.,Bruning, J.B.,Kamenecka, T.M.,Griffin, P.R. Pharmacological repression of PPAR gamma promotes osteogenesis. Nat Commun 2015 6 7443 7443 4R6S 26068133 Crystal structure of PPARgammma in complex with SR1663 2014-08-26 2015-07-01 Marciano, D.P.,Kuruvilla, D.S.,Boregowda, S.V.,Asteian, A.,Hughes, T.S.,Garcia-Ordonez, R.,Corzo, C.A.,Khan, T.M.,Novick, S.J.,Park, H.,Kojetin, D.J.,Phinney, D.G.,Bruning, J.B.,Kamenecka, T.M.,Griffin, P.R. Pharmacological repression of PPAR gamma promotes osteogenesis. Nat Commun 2015 6 7443 7443 4RZD 26106162 Crystal Structure of a PreQ1 Riboswitch 2014-12-20 2015-07-01 Liberman, J.A.,Suddala, K.C.,Aytenfisu, A.,Chan, D.,Belashov, I.A.,Salim, M.,Mathews, D.H.,Spitale, R.C.,Walter, N.G.,Wedekind, J.E. Structural analysis of a class III preQ1 riboswitch reveals an aptamer distant from a ribosome-binding site regulated by fast dynamics. Proc.Natl.Acad.Sci.USA 2015 112 0 0 4YUE 25992858 Mouse IL-2 Bound to S4B6 Fab Fragment 2015-03-18 2015-07-01 Spangler, J.B.,Tomala, J.,Luca, V.C.,Jude, K.M.,Dong, S.,Ring, A.M.,Votavova, P.,Pepper, M.,Kovar, M.,Garcia, K.C. Antibodies to Interleukin-2 Elicit Selective T Cell Subset Potentiation through Distinct Conformational Mechanisms. Immunity 2015 42 815 825 4ZAK 26078271 Crystal structure of the mCD1d/DB06-1/iNKTCR ternary complex 2015-04-13 2015-07-01 Birkholz, A.M.,Girardi, E.,Wingender, G.,Khurana, A.,Wang, J.,Zhao, M.,Zahner, S.,Illarionov, P.A.,Wen, X.,Li, M.,Yuan, W.,Porcelli, S.A.,Besra, G.S.,Zajonc, D.M.,Kronenberg, M. A Novel Glycolipid Antigen for NKT Cells That Preferentially Induces IFN-gamma Production. J Immunol. 2015 195 924 933 5BXG Crystal structure of an uncharacterized beta-sandwich protein (CD630_09570) from Clostridium difficile 630 at 1.90 A resolution 2015-06-08 2015-07-08 Joint Center for Structural Genomics (JCSG) Crystal structure of an uncharacterized beta-sandwich protein (CD630_09570) from Clostridium difficile 630 at 1.90 A resolution To be published 0 0 0 0 5BYP Crystal structure of an uncharacterized protein (BACEGG_01585) from Bacteroides eggerthii DSM 20697 at 2.60 A resolution 2015-06-10 2015-07-08 Joint Center for Structural Genomics (JCSG) Crystal structure of an uncharacterized protein (BACEGG_01585) from Bacteroides eggerthii DSM 20697 at 2.60 A resolution To be published 0 0 0 0 4YDM 26051248 High resolution crystal structure of human transthyretin bound to ligand and conjugates of 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate 2015-02-22 2015-07-15 Baranczak, A.,Liu, Y.,Connelly, S.,Du, W.G.,Greiner, E.R.,Genereux, J.C.,Wiseman, R.L.,Eisele, Y.S.,Bradbury, N.C.,Dong, J.,Noodleman, L.,Sharpless, K.B.,Wilson, I.A.,Encalada, S.E.,Kelly, J.W. A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans. J.Am.Chem.Soc. 2015 137 7404 7414 4YDN 26051248 High resolution crystal structure of human transthyretin bound to ligand and conjugates of 4-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate 2015-02-22 2015-07-15 Baranczak, A.,Liu, Y.,Connelly, S.,Du, W.G.,Greiner, E.R.,Genereux, J.C.,Wiseman, R.L.,Eisele, Y.S.,Bradbury, N.C.,Dong, J.,Noodleman, L.,Sharpless, K.B.,Wilson, I.A.,Encalada, S.E.,Kelly, J.W. A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans. J.Am.Chem.Soc. 2015 137 7404 7414 4RKX 26132413 Identification and characterization of a small molecule inhibitor of S. pyogenes SpeB. 2014-10-14 2015-07-22 Wang, A.Y.,Gonzalez-Paez, G.E.,Wolan, D.W. Identification and Co-complex Structure of a New S. pyogenes SpeB Small Molecule Inhibitor. Biochemistry 2015 54 4365 4373 5CC9 26147643 L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate 2015-07-01 2015-08-05 Oyen, D.,Fenwick, R.B.,Stanfield, R.L.,Dyson, H.J.,Wright, P.E. Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway. J.Am.Chem.Soc. 2015 137 9459 9468 5CCC 26147643 wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate 2015-07-01 2015-08-05 Oyen, D.,Fenwick, R.B.,Stanfield, R.L.,Dyson, H.J.,Wright, P.E. Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway. J.Am.Chem.Soc. 2015 137 9459 9468 5C4A 26186291 Crystal structure of a transcribing RNA Polymerase II complex reveals a complete transcription bubble 2015-06-17 2015-08-26 Barnes, C.O.,Calero, M.,Malik, I.,Graham, B.W.,Spahr, H.,Lin, G.,Cohen, A.E.,Brown, I.S.,Zhang, Q.,Pullara, F.,Trakselis, M.A.,Kaplan, C.D.,Calero, G. Crystal Structure of a Transcribing RNA Polymerase II Complex Reveals a Complete Transcription Bubble. Mol.Cell 2015 59 258 269 4ZK5 26288693 MAP4K4 in complex with inhibitor GNE-495 2015-04-29 2015-09-02 Ndubaku, C.O.,Crawford, T.D.,Chen, H.,Boggs, J.W.,Drobnick, J.,Harris, S.F.,Jesudason, R.,McNamara, E.,Nonomiya, J.,Sambrone, A.,Schmidt, S.,Smyczek, T.,Vitorino, P.,Wang, L.,Wu, P.,Yeung, S.,Chen, J.,Chen, K.,Ding, C.Z.,Wang, T.,Xu, Z.,Gould, S.E.,Murray, L.J.,Ye, W. Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. Acs Med.Chem.Lett. 2015 6 913 918 4ZO1 26289479 Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha 2015-05-05 2015-09-02 Kojetin, D.J.,Matta-Camacho, E.,Hughes, T.S.,Srinivasan, S.,Nwachukwu, J.C.,Cavett, V.,Nowak, J.,Chalmers, M.J.,Marciano, D.P.,Kamenecka, T.M.,Shulman, A.I.,Rance, M.,Griffin, P.R.,Bruning, J.B.,Nettles, K.W. Structural mechanism for signal transduction in RXR nuclear receptor heterodimers. Nat Commun 2015 6 8013 8013 5A56 26304114 The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen 2015-06-16 2015-09-02 Gregg, K.J.,Suits, M.D.,Deng, L.,Vocadlo, D.J.,Boraston, A.B. Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism. J.Biol.Chem. 2015 290 25657 25669 4W5V Crystal structure of Human SUMO E2-conjugating enzyme (Ubc9) in complex with E1-activating enzyme (Uba2) ubiquitin fold domain (Ufd) 2014-08-19 2015-09-09 Reiter, K.H.,Boucher, L.E.,Bosch, J.,Matunis, M.J. Crystal structure of human SUMO complex To Be Published 0 0 0 0 4ZN9 22517684 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) 2015-05-04 2015-09-09 Zheng, Y.,Zhu, M.,Srinivasan, S.,Nwachukwu, J.C.,Cavett, V.,Min, J.,Carlson, K.E.,Wang, P.,Dong, C.,Katzenellenbogen, J.A.,Nettles, K.W.,Zhou, H.B. Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands. Chemmedchem 2012 7 1094 1100 4D7D 26371436 Cytochrome P450 3A4 bound to an inhibitor 2014-11-22 2015-09-23 Kaur, P.,Chamberlin, R.,Poulos, T.L.,Sevrioukova, I.F. Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model. J.Med.Chem. 2016 59 4210 0 4YW8 26322521 Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid 2015-03-20 2015-09-23 Balan, M.D.,Mcleod, M.J.,Lotosky, W.R.,Ghaly, M.,Holyoak, T. Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid. Biochemistry 2015 54 5878 5887 4Z4C 26359634 Human Argonaute2 Bound to t1-C Target RNA 2015-04-02 2015-09-23 Schirle, N.T.,Sheu-Gruttadauria, J.,Chandradoss, S.D.,Joo, C.,MacRae, I.J. Water-mediated recognition of t1-adenosine anchors Argonaute2 to microRNA targets. Elife 2015 4 0 0 4WMJ Colias eurytheme Phosphoglucose isomerase. Homodimer from 4-5(18) genotype. 2014-10-09 2015-10-14 Hill, J.A.,Watt, W.B.,Jardetzky, T.,Tuljapurkar, S. Structure and Function of Phosphoglucose Isomerase In Colias Eurytheme Thesis, Stanford University 2013 0 0 0 5D81 26571340 Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y57(Cl-Y) 2015-08-15 2015-12-02 Wu, Y.,Fried, S.D.,Boxer, S.G. Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids. Biochemistry 2015 54 7110 7119 4YZ0 26327384 C. bescii Family 3 pectate lyase double mutant K108A/E39Q in complex with trigalacturonic acid 2015-03-24 2015-12-23 Alahuhta, M.,Taylor, L.E.,Brunecky, R.,Sammond, D.W.,Michener, W.,Adams, M.W.,Himmel, M.E.,Bomble, Y.J.,Lunin, V. The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase. Acta Crystallogr.,Sect.D 2015 71 1946 1954 4YZA 26327384 C. bescii Family 3 pectate lyase double mutant K108A/Q111A in complex with trigalacturonic acid 2015-03-24 2015-12-23 Alahuhta, M.,Taylor, L.E.,Brunecky, R.,Sammond, D.W.,Michener, W.,Adams, M.W.,Himmel, M.E.,Bomble, Y.J.,Lunin, V. The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase. Acta Crystallogr.,Sect.D 2015 71 1946 1954 4YZQ 26327384 C. bescii Family 3 pectate lyase double mutant K108A/Q111N in complex with trigalacturonic acid 2015-03-25 2015-12-23 Alahuhta, M.,Taylor, L.E.,Brunecky, R.,Sammond, D.W.,Michener, W.,Adams, M.W.,Himmel, M.E.,Bomble, Y.J.,Lunin, V. The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase. Acta Crystallogr.,Sect.D 2015 71 1946 1954 4YZX 26327384 C. bescii Family 3 pectate lyase double mutant K108A/D107N in complex with trigalacturonic acid 2015-03-25 2015-12-23 Alahuhta, M.,Taylor, L.E.,Brunecky, R.,Sammond, D.W.,Michener, W.,Adams, M.W.,Himmel, M.E.,Bomble, Y.J.,Lunin, V. The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase. Acta Crystallogr.,Sect.D 2015 71 1946 1954 4Z06 26327384 C. bescii Family 3 pectate lyase double mutant K108A/R133A in complex with ALPHA-D-GALACTOPYRANURONIC ACID 2015-03-25 2015-12-23 Alahuhta, M.,Taylor, L.E.,Brunecky, R.,Sammond, D.W.,Michener, W.,Adams, M.W.,Himmel, M.E.,Bomble, Y.J.,Lunin, V. The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase. Acta Crystallogr.,Sect.D 2015 71 1946 1954 4XEO Crystal Structure of human AlaRS catalytic domain with R329H mutation 2014-12-24 2015-12-30 Yang, X.L. Crystal structure of human AlaRS catalytic domain with R329H mutation To Be Published 0 0 0 0 5F66 27035972 High-resolution isotropic multiconformer synchrotron model of CypA at 273 K 2015-12-05 2015-12-30 Van Benschoten, A.H.,Liu, L.,Gonzalez, A.,Brewster, A.S.,Sauter, N.K.,Fraser, J.S.,Wall, M.E. Measuring and modeling diffuse scattering in protein X-ray crystallography. Proc.Natl.Acad.Sci.USA 2016 113 4069 4074 5EO9 26687361 Crystal Structure of the complex of Dpr6 Domain 1 bound to DIP-alpha Domain 1+2 2015-11-10 2016-01-06 Carrillo, R.A.,Ozkan, E.,Menon, K.P.,Nagarkar-Jaiswal, S.,Lee, P.T.,Jeon, M.,Birnbaum, M.E.,Bellen, H.J.,Garcia, K.C.,Zinn, K. Control of Synaptic Connectivity by a Network of Drosophila IgSF Cell Surface Proteins. Cell 2015 163 1770 1782 5F6M 27035972 Isotropic Trypsin Model for Comparison of Diffuse Scattering 2015-12-06 2016-01-06 Van Benschoten, A.H.,Liu, L.,Gonzalez, A.,Brewster, A.S.,Sauter, N.K.,Fraser, J.S.,Wall, M.E. Measuring and modeling diffuse scattering in protein X-ray crystallography. Proc.Natl.Acad.Sci.USA 2016 113 4069 4074 4R06 26579553 Crystal Structure of SR2067 bound to PPARgamma 2014-07-30 2016-01-27 van Marrewijk, L.M.,Polyak, S.W.,Hijnen, M.,Kuruvilla, D.,Chang, M.R.,Shin, Y.,Kamenecka, T.M.,Griffin, P.R.,Bruning, J.B. SR2067 Reveals a Unique Kinetic and Structural Signature for PPAR gamma Partial Agonism. Acs Chem.Biol. 2016 11 273 283 4XCN 26777395 Crystal structure of human 4E10 Fab in complex with phosphatidic acid (06:0 PA); 2.9 A resolution 2014-12-18 2016-02-03 Irimia, A.,Sarkar, A.,Stanfield, R.L.,Wilson, I.A. Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10. Immunity 2016 44 21 31 5E0E 26826176 Crystal Structure of Cytochrome P450 2B37 from Desert Woodrat in complex with 4-(4-chlorophenyl)imidazole 2015-09-28 2016-02-10 Shah, M.B.,Liu, J.,Huo, L.,Zhang, Q.,Dearing, M.D.,Wilderman, P.R.,Szklarz, G.D.,Stout, C.D.,Halpert, J.R. Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism. Mol.Pharmacol. 2016 89 435 445 5BNB 26828794 Crystal structure of a Ube2S-ubiquitin conjugate 2015-05-25 2016-02-17 Lorenz, S.,Bhattacharyya, M.,Feiler, C.,Rape, M.,Kuriyan, J. Crystal Structure of a Ube2S-Ubiquitin Conjugate. Plos One 2016 11 0 0 5H8S 26875626 Structure of the human GluA2 LBD in complex with GNE3419 2015-12-23 2016-02-24 Hackos, D.H.,Lupardus, P.J.,Grand, T.,Chen, Y.,Wang, T.M.,Reynen, P.,Gustafson, A.,Wallweber, H.J.,Volgraf, M.,Sellers, B.D.,Schwarz, J.B.,Paoletti, P.,Sheng, M.,Zhou, Q.,Hanson, J.E. Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron 2016 89 983 999 5EOQ 26889021 Structure of the murine Fab 1G6 bound to the vaccinia virus A27 peptide 31-40 2015-11-10 2016-03-02 Kaever, T.,Matho, M.H.,Meng, X.,Crickard, L.,Schlossman, A.,Xiang, Y.,Crotty, S.,Peters, B.,Zajonc, D.M. Linear Epitopes in Vaccinia Virus A27 Are Targets of Protective Antibodies Induced by Vaccination against Smallpox. J.Virol. 2016 90 4334 4345 5DZZ 26808545 Structural characterization of intermediate filaments binding domain of desmoplakin 2015-09-26 2016-03-23 Kang, H.,Weiss, T.M.,Bang, I.,Weis, W.I.,Choi, H.J. Structure of the Intermediate Filament-Binding Region of Desmoplakin. Plos One 2016 11 0 0 5DZZ 26808545 Structural characterization of intermediate filaments binding domain of desmoplakin 2015-09-26 2016-03-23 Kang, H.,Weiss, T.M.,Bang, I.,Weis, W.I.,Choi, H.J. Structure of the Intermediate Filament-Binding Region of Desmoplakin. Plos One 2016 11 0 0 5EFI 27006394 Crystal structure of mouse CD1d in complex with the p99p lipopeptide 2015-10-23 2016-03-30 Girardi, E.,Wang, J.,Zajonc, D.M. Structure of an alpha-Helical Peptide and Lipopeptide Bound to the Nonclassical Major Histocompatibility Complex (MHC) Class I Molecule CD1d. J.Biol.Chem. 2016 291 10677 10683 5FKP 27006394 Crystal structure of the mouse CD1d in complex with the p99 peptide 2015-10-18 2016-03-30 Girardi, E.,Wang, J.,Zajonc, D.M. Structure of an Alpha-Helical Peptide and Lipopeptide Bound to the Non-Classical Mhc Class I Molecule Cd1D J.Biol.Chem. 2016 291 10677 0 4YSM Calcium-Dependent Protein Kinase from Eimeria tenella 2015-03-17 2016-04-06 Ojo, K.K.,Vidadala, R.,Maly, D.J.,Van Voorhis, W.C.,Merritt, E.A. CDPK is a druggable target in the apicomplexan parasite Eimeria to be published 0 0 0 0 4YUQ CDPK1 from Eimeria tenella in complex with inhibitor UW1354 2015-03-19 2016-04-06 Ojo, K.K.,Vidadala, R.,Maly, D.J.,Van Voorhis, W.C.,Merritt, E.A. CDPK is a druggable target in the apicomplexan parasite Eimeria to be published 0 0 0 0 5IIS 26995528 Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold 2016-03-01 2016-04-06 Nishiguchi, G.A.,Burger, M.T.,Han, W.,Lan, J.,Atallah, G.,Tamez, V.,Lindvall, M.,Bellamacina, C.,Garcia, P.,Feucht, P.,Zavorotinskaya, T.,Dai, Y.,Wong, K. Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold. Bioorg.Med.Chem.Lett. 2016 26 2328 2332 4ZNS 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative 2015-05-05 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 4ZNT 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Bromo-substituted OBHS derivative 2015-05-05 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 4ZNU 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methyl-substituted OBHS derivative 2015-05-05 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 4ZNV 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methoxy-substituted OBHS derivative 2015-05-05 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 4ZNW 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 4-Bromo-substituted OBHS derivative 2015-05-05 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DK9 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol 2015-09-03 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DKB 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-methylphenylamino-substituted ethyl triaryl-ethylene derivative 4,4'-(2-{3-[(3-methylphenyl)amino]phenyl}but-1-ene-1,1-diyl)diphenol 2015-09-03 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DKE 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-naphthyl-substituted, methyl, cis-diaryl-ethylene compound 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol 2015-09-03 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DKG 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a t-butyl-substituted, methyl, triaryl-ethylene derivative 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol 2015-09-03 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DKS 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 2-naphthylamino-substituted, ethyl, triaryl-ethylene derivative 4,4'-{2-[3-(naphthalen-1-ylamino)phenyl]but-1-ene-1,1-diyl}diphenol 2015-09-03 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DL4 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted, methyl, triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol 2015-09-04 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DLR 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a triaryl-ethylene compound 4,4'-(2-phenylethene-1,1-diyl)diphenol 2015-09-07 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DMC 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a nitrile-substituted triaryl-ethylene derivative 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile 2015-09-08 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DMF 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted, methyl triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol 2015-09-08 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DP0 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol 2015-09-11 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DRJ 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3-methyl 2,5-diarylthiophene-core ligand 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol) 2015-09-15 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DRM 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 2,5-diarylthiophene-core ligand 4,4'-thiene-2,5-diylbis(3-chlorophenol) 2015-09-16 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DTV 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dimethyl-substituted, 3,4-diarylthiophene dioxide core ligand 2015-09-18 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DU5 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3,4-diarylthiophene dioxide core ligand 2015-09-18 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DUE 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a para-Hydroxyl-substituted, Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 Analog 4-hydroxyphenyl (1S,2S,4S,5S,6R,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]heptane-2-sulfonate 7-oxide 2015-09-18 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DUG 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide 2015-09-18 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DUH 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide 2015-09-18 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DVS 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Methyl-substituted Triaryl-imine 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol 2015-09-21 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DVV 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Triaryl-imine analog 4,4'-(phenylcarbonimidoyl)diphenol 2015-09-21 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DWG 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Triaryl-substituted Imine Analog, 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol 2015-09-22 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DWI 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol 2015-09-22 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DXK 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol 2015-09-23 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DXM 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol 2015-09-23 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DXP 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol 2015-09-23 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DXQ 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(1s,5s)-bicyclo[3.3.1]non-9-ylidenemethanediyl]diphenol 2015-09-23 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DXR 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol 2015-09-23 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DY8 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol 2015-09-24 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DYB 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol 2015-09-24 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DYD 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol 2015-09-24 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DZ0 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-methylcyclohexylidene)methanediyl]diphenol 2015-09-25 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DZ1 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol 2015-09-25 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DZ3 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol 2015-09-25 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DZH 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol 2015-09-25 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5DZI 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol 2015-09-25 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5E0W 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol 2015-09-29 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5E0X 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol 2015-09-29 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5E14 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol 2015-09-29 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5E15 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol 2015-09-29 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5E19 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative methyl {4-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}acetate 2015-09-29 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5E1C 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate 2015-09-29 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5EGV 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex the 3,4-diaryl-furan derivative 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol 2015-10-27 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5EHJ 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(4aR,8aR)-octahydronaphthalen-2(1H)-ylidenemethanediyl]diphenol 2015-10-28 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5EI1 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol 2015-10-29 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5EIT 27107013 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol 2015-10-30 2016-05-04 Nwachukwu, J.C.,Srinivasan, S.,Zheng, Y.,Wang, S.,Min, J.,Dong, C.,Liao, Z.,Nowak, J.,Wright, N.J.,Houtman, R.,Carlson, K.E.,Josan, J.S.,Elemento, O.,Katzenellenbogen, J.A.,Zhou, H.B.,Nettles, K.W. Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol. 2016 12 864 864 5J75 26442911 Fluorogen Activating Protein AM2.2 in complex with ML342 2016-04-05 2016-05-04 Wu, Y.,Stauffer, S.R.,Stanfield, R.L.,Tapia, P.H.,Ursu, O.,Fisher, G.W.,Szent-Gyorgyi, C.,Evangelisti, A.,Waller, A.,Strouse, J.J.,Carter, M.B.,Bologa, C.,Gouveia, K.,Poslusney, M.,Waggoner, A.S.,Lindsley, C.W.,Jarvik, J.W.,Sklar, L.A. Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair. J Biomol Screen 2016 21 74 87 4ZRV 27542410 Structure of cow mincle CRD complexed with trehalose mono butyrate 2015-05-12 2016-05-25 Feinberg, H.,Rambaruth, N.D.,Jegouzo, S.A.,Jacobsen, K.M.,Djurhuus, R.,Poulsen, T.B.,Weis, W.I.,Taylor, M.E.,Drickamer, K. Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle. J.Biol.Chem. 2016 291 21222 21233 5J74 26442911 Fluorogen activating protein AM2.2 in complex with TO1-2p 2016-04-05 2016-05-25 Wu, Y.,Stauffer, S.R.,Stanfield, R.L.,Tapia, P.H.,Ursu, O.,Fisher, G.W.,Szent-Gyorgyi, C.,Evangelisti, A.,Waller, A.,Strouse, J.J.,Carter, M.B.,Bologa, C.,Gouveia, K.,Poslusney, M.,Waggoner, A.S.,Lindsley, C.W.,Jarvik, J.W.,Sklar, L.A. Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair. 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J.Am.Chem.Soc. 2017 139 966 975 5KRI 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol 2016-07-07 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KRJ 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an a-naphthyl Substituted OBHS derivative 2016-07-07 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KRK 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol 2016-07-07 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KRL 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2-chloro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol 2016-07-07 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KRM 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2,5-difluoro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol 2016-07-07 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KRO 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol 2016-07-07 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLD 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol 2016-10-11 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLF 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Constrained WAY Derivative, 4-(2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl)benzene-1,3-diol 2016-10-11 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLG 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4,4''-dihydroxy-3'-((hydroxyiminio)methyl)-[1,1':2',1''-terphenyl]-4'-olate 2016-10-11 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLL 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-2-chloro-4'-hydroxy-4-((hydroxyiminio)methyl)-[1,1'-biphenyl]-3-olate 2016-10-11 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLP 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-BSC Analog, 3-fluorophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate and 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine 2016-10-11 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLT 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate) 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLU 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the PEG-linked Dimeric Estrogen, EE2-(eg)6-EE2-amine 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLV 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(thiophene-2,3-diyl)bis(3-fluorophenol) 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLX 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(4-hydroxyphenyl)thiophene 1,1-dioxide 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TLY 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(2-fluoro-4-hydroxyphenyl)thiophene 1,1-dioxide 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TM1 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-fluoro-4-hydroxyphenyl)thiophene 1-oxide 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TM2 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TM3 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TM4 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, 5-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TM5 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 5-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TM6 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)hexanoic acid 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TM7 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TM8 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 7-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)heptanoic acid 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TM9 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, (E)-3-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)acrylic acid 2016-10-12 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TML 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMM 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC analog, (E)-6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMO 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMQ 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMR 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(cyclohexylidene(4-hydroxyphenyl)methyl)phenyl)acrylate 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMS 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(bicyclo[3.3.1]nonan-9-ylidene(4-hydroxyphenyl)methyl)phenyl)acrylate 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMT 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((1,3-dihydro-2H-inden-2-ylidene)methylene)diphenol 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMU 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-(cycloheptylidenemethylene)diphenol 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMV 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS analog, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMW 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS derivative, 4-acetamidophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TMZ 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TN1 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,E)-17-((4-isopropylphenyl)imino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TN3 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S)-17-((4-isopropylphenyl)amino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TN4 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the ACD-ring estrogen, (S)-5-(4-hydroxy-3,5-dimethylphenyl)-2,3-dihydro-1H-inden-1-ol 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TN5 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the AC-ring estrogen, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TN6 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Spiro BC-estradiol, (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TN7 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5TN8 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate 2016-10-13 2017-01-18 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KR9 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol 2016-07-07 2017-02-15 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KRA 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE 2016-07-07 2017-02-15 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KRC 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Zearalenone 2016-07-07 2017-02-15 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KRF 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Dynamic WAY derivative, 1a 2016-07-07 2017-02-15 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol 2017 24 35 45 5KRH 28042045 Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16-benzylidene estrone 2016-07-07 2017-02-15 Nwachukwu, J.C.,Srinivasan, S.,Bruno, N.E.,Nowak, J.,Wright, N.J.,Minutolo, F.,Rangarajan, E.S.,Izard, T.,Yao, X.Q.,Grant, B.J.,Kojetin, D.J.,Elemento, O.,Katzenellenbogen, J.A.,Nettles, K.W. 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Biochemistry 2018 57 2109 2120 6APG 28832129 Trans-acting transferase from Disorazole synthase with malonate 2017-08-17 2018-04-04 Mathews, I.I.,Allison, K.,Robbins, T.,Lyubimov, A.Y.,Uervirojnangkoorn, M.,Brunger, A.T.,Khosla, C.,DeMirci, H.,McPhillips, S.E.,Hollenbeck, M.,Soltis, M.,Cohen, A.E. The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography. Biochemistry 2017 56 4751 4756 5VCK HIV Protease (PR) with TL-3 in the active site and (Z)-N-(thiazol-2-yl)-N'-tosylcarbamimidate in the exosite 2017-03-31 2018-04-18 Forli, S.,Tiefenbrunn, T.,Baksh, M.M.,Chang, M.W.,Perryman, A.,Garg, D.,Happer, M.,Lin, Y.-C.,Goodsell, D.,Angelina, E.L.,De Vera, I.,Kojetin, D.,Torbett, B.E.,Finn, M.G.,Elder, J.,Stout, C.D.,Olson, A. 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Science 2017 355 836 842 5W79 Crystal Structure of the Group II Chaperonin from Methanococcus Maripaludis, Cysteine-less mutant in the Apo State 2017-06-19 2018-06-20 Dalton, K.M.,Lopez, T.,Liu, C.,Ralston, C.Y.,Pereira, J.H.,Chartron, J.W.,McAndrew, R.P.,Douglas, N.R.,Adams, P.D.,Pande, V.S.,Frydman, J. The Conformational Cycle of the Group II Chaperonin Termini To Be Published 0 0 0 0 6BGA 30021852 2B4 I-Ek TCR-MHC complex with affinity-enhancing Velcro peptide 2017-10-27 2018-07-18 Gee, M.H.,Sibener, L.V.,Birnbaum, M.E.,Jude, K.M.,Yang, X.,Fernandes, R.A.,Mendoza, J.L.,Glassman, C.R.,Garcia, K.C. Stress-testing the relationship between T cell receptor/peptide-MHC affinity and cross-reactivity using peptide velcro. Proc. Natl. Acad. Sci. U.S.A. 2018 115 0 0 6DWC 30102105 Structure of the apo 4497 antibody Fab fragment 2018-06-26 2018-08-29 Fong, R.,Kajihara, K.,Chen, M.,Hotzel, I.,Mariathasan, S.,Hazenbos, W.L.W.,Lupardus, P.J. 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