PDB_ID PUBMED_CID STRUCTURE TITLE DEPOSITION DATE RELEASE DATE AUTHORS CITATION TITLE JOURNAL YEAR VOLUME FIRST PAGE LAST PAGE 1HRV HRV14/SDZ 35-682 COMPLEX 1995-03-02 1995-06-03 Rosenwirth, B.,Oren, D.A.,Arnold, E.,Kis, Z.L.,Eggers, H.J. SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity. Antiviral Res. 1995 26 65 82 1GPC CORE GP32, DNA-BINDING PROTEIN 1995-06-01 1995-10-15 Shamoo, Y.,Friedman, A.M.,Parsons, M.R.,Konigsberg, W.H.,Steitz, T.A. Crystal structure of a replication fork single-stranded DNA binding protein (T4 gp32) complexed to DNA. Nature 1995 376 362 366 1RUC RHINOVIRUS 14 MUTANT N1105S COMPLEXED WITH ANTIVIRAL COMPOUND WIN 52035 1995-06-09 1995-11-14 Hadfield, A.T.,Oliveira, M.A.,Kim, K.H.,Minor, I.,Kremer, M.J.,Heinz, B.A.,Shepard, D.,Pevear, D.C.,Rueckert, R.R.,Rossmann, M.G. Structural studies on human rhinovirus 14 drug-resistant compensation mutants. J.Mol.Biol. 1995 253 61 73 1RUD RHINOVIRUS 14 MUTANT N1105S COMPLEXED WITH ANTIVIRAL COMPOUND WIN 52084 1995-06-09 1995-11-14 Hadfield, A.T.,Oliveira, M.A.,Kim, K.H.,Minor, I.,Kremer, M.J.,Heinz, B.A.,Shepard, D.,Pevear, D.C.,Rueckert, R.R.,Rossmann, M.G. Structural studies on human rhinovirus 14 drug-resistant compensation mutants. J.Mol.Biol. 1995 253 61 73 1RUE RHINOVIRUS 14 SITE DIRECTED MUTANT N1219A COMPLEXED WITH ANTIVIRAL COMPOUND WIN 52035 1995-06-09 1995-11-14 Hadfield, A.T.,Oliveira, M.A.,Kim, K.H.,Minor, I.,Kremer, M.J.,Heinz, B.A.,Shepard, D.,Pevear, D.C.,Rueckert, R.R.,Rossmann, M.G. Structural studies on human rhinovirus 14 drug-resistant compensation mutants. J.Mol.Biol. 1995 253 61 73 1RUF RHINOVIRUS 14 (HRV14) (MUTANT WITH ASN 1 219 REPLACED BY ALA (N219A IN CHAIN 1) 1995-06-09 1995-11-14 Hadfield, A.T.,Oliveira, M.A.,Kim, K.H.,Minor, I.,Kremer, M.J.,Heinz, B.A.,Shepard, D.,Pevear, D.C.,Rueckert, R.R.,Rossmann, M.G. Structural studies on human rhinovirus 14 drug-resistant compensation mutants. J.Mol.Biol. 1995 253 61 73 1RUG RHINOVIRUS 14 MUTANT N1219S COMPLEXED WITH ANTIVIRAL COMPOUND WIN 52035 1995-06-09 1995-11-14 Hadfield, A.T.,Oliveira, M.A.,Kim, K.H.,Minor, I.,Kremer, M.J.,Heinz, B.A.,Shepard, D.,Pevear, D.C.,Rueckert, R.R.,Rossmann, M.G. Structural studies on human rhinovirus 14 drug-resistant compensation mutants. J.Mol.Biol. 1995 253 61 73 1RUH RHINOVIRUS 14 MUTANT N1219S COMPLEXED WITH ANTIVIRAL COMPOUND WIN 52084 1995-06-09 1995-11-14 Hadfield, A.T.,Oliveira, M.A.,Kim, K.H.,Minor, I.,Kremer, M.J.,Heinz, B.A.,Shepard, D.,Pevear, D.C.,Rueckert, R.R.,Rossmann, M.G. Structural studies on human rhinovirus 14 drug-resistant compensation mutants. J.Mol.Biol. 1995 253 61 73 1PNN PEPTIDE NUCLEIC ACID (PNA) COMPLEXED WITH DNA 1995-10-13 1996-03-08 Betts, L.,Josey, J.A.,Veal, J.M.,Jordan, S.R. A Nucleic Acid Triple Helix Formed by a Peptide Nucleic Acid-DNA Complex Science 1995 270 1838 1841 1NFK STRUCTURE OF THE NUCLEAR FACTOR KAPPA-B (NF-KB) P50 HOMODIMER 1995-02-28 1996-12-23 Ghosh, G.,van Duyne, G.,Ghosh, S.,Sigler, P.B. Structure of NF-kappa B p50 homodimer bound to a kappa B site. Nature 1995 373 303 310 1NFK STRUCTURE OF THE NUCLEAR FACTOR KAPPA-B (NF-KB) P50 HOMODIMER 1995-02-28 1996-12-23 Ghosh, G.,van Duyne, G.,Ghosh, S.,Sigler, P.B. Structure of NF-kappa B p50 homodimer bound to a kappa B site. Nature 1995 373 303 310 1GID CRYSTAL STRUCTURE OF A GROUP I RIBOZYME DOMAIN: PRINCIPLES OF RNA PACKING 1996-08-22 1996-12-31 Cate, J.H.,Gooding, A.R.,Podell, E.,Zhou, K.,Golden, B.L.,Kundrot, C.E.,Cech, T.R.,Doudna, J.A. Crystal structure of a group I ribozyme domain: principles of RNA packing. Science 1996 273 1678 1685 1EDH E-CADHERIN DOMAINS 1 AND 2 IN COMPLEX WITH CALCIUM 1996-05-15 1997-01-11 Nagar, B.,Overduin, M.,Ikura, M.,Rini, J.M. Structural basis of calcium-induced E-cadherin rigidification and dimerization. Nature 1996 380 360 364 1EFN HIV-1 NEF PROTEIN IN COMPLEX WITH R96I MUTANT FYN SH3 DOMAIN 1996-06-29 1997-01-11 Lee, C.H.,Saksela, K.,Mirza, U.A.,Chait, B.T.,Kuriyan, J. Crystal structure of the conserved core of HIV-1 Nef complexed with a Src family SH3 domain. Cell(Cambridge,Mass.) 1996 85 931 942 1JST PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A 1996-07-03 1997-01-11 Russo, A.A.,Jeffrey, P.D.,Pavletich, N.P. Structural basis of cyclin-dependent kinase activation by phosphorylation. Nat.Struct.Biol. 1996 3 696 700 1FIN CYCLIN A-CYCLIN-DEPENDENT KINASE 2 COMPLEX 1996-07-14 1997-01-27 Jeffrey, P.D.,Russo, A.A.,Polyak, K.,Gibbs, E.,Hurwitz, J.,Massague, J.,Pavletich, N.P. Mechanism of CDK activation revealed by the structure of a cyclinA-CDK2 complex. Nature 1995 376 313 320 1GG2 G PROTEIN HETEROTRIMER MUTANT GI_ALPHA_1(G203A) BETA_1 GAMMA_2 WITH GDP BOUND 1996-11-13 1997-02-12 Wall, M.A.,Coleman, D.E.,Lee, E.,Iniguez-Lluhi, J.A.,Posner, B.A.,Gilman, A.G.,Sprang, S.R. The structure of the G protein heterotrimer Gi alpha 1 beta 1 gamma 2. Cell(Cambridge,Mass.) 1995 83 1047 1058 1GP2 G PROTEIN HETEROTRIMER GI_ALPHA_1 BETA_1 GAMMA_2 WITH GDP BOUND 1996-11-13 1997-02-12 Wall, M.A.,Coleman, D.E.,Lee, E.,Iniguez-Lluhi, J.A.,Posner, B.A.,Gilman, A.G.,Sprang, S.R. The structure of the G protein heterotrimer Gi alpha 1 beta 1 gamma 2. Cell(Cambridge,Mass.) 1995 83 1047 1058 1VRH HRV14/SDZ 880-061 COMPLEX 1996-02-26 1997-02-12 Oren, D.A.,Zhang, A.,Nesvadba, H.,Rosenwirth, B.,Arnold, E. Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14. J.Mol.Biol. 1996 259 120 134 2NLL RETINOID X RECEPTOR-THYROID HORMONE RECEPTOR DNA-BINDING DOMAIN HETERODIMER BOUND TO THYROID RESPONSE ELEMENT DNA 1996-11-20 1997-03-12 Rastinejad, F.,Perlmann, T.,Evans, R.M.,Sigler, P.B. Structural determinants of nuclear receptor assembly on DNA direct repeats. Nature 1995 375 203 211 1AB8 RAT TYPE II ADENYLYL CYCLASE C2 DOMAIN/FORSKOLIN COMPLEX 1997-02-04 1997-05-15 Zhang, G.,Liu, Y.,Ruoho, A.E.,Hurley, J.H. Structure of the adenylyl cyclase catalytic core. Nature 1997 386 247 253 1AIS TATA-BINDING PROTEIN/TRANSCRIPTION FACTOR (II)B/TATA-BOX COMPLEX FROM PYROCOCCUS WOESEI 1997-04-24 1997-07-07 Kosa, P.F.,Ghosh, G.,DeDecker, B.S.,Sigler, P.B. The 2.1-A crystal structure of an archaeal preinitiation complex: TATA-box-binding protein/transcription factor (II)B core/TATA-box. Proc.Natl.Acad.Sci.USA 1997 94 6042 6047 1AFV HIV-1 CAPSID PROTEIN (P24) COMPLEX WITH FAB25.3 1997-03-14 1997-08-20 Momany, C.,Kovari, L.C.,Prongay, A.J.,Keller, W.,Gitti, R.K.,Lee, B.M.,Gorbalenya, A.E.,Tong, L.,McClure, J.,Ehrlich, L.S.,Summers, M.F.,Carter, C.,Rossmann, M.G. Crystal structure of dimeric HIV-1 capsid protein. Nat.Struct.Biol. 1996 3 763 770 1AO7 COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201 1997-07-21 1997-09-17 Garboczi, D.N.,Ghosh, P.,Utz, U.,Fan, Q.R.,Biddison, W.E.,Wiley, D.C. Structure of the complex between human T-cell receptor, viral peptide and HLA-A2. Nature 1996 384 134 141 1LAY CRYSTAL STRUCTURE OF CYTOMEGALOVIRUS PROTEASE 1996-07-16 1997-09-26 Qiu, X.,Culp, J.S.,DiLella, A.G.,Hellmig, B.,Hoog, S.S.,Janson, C.A.,Smith, W.W.,Abdel-Meguid, S.S. Unique fold and active site in cytomegalovirus protease. Nature 1996 383 275 279 1AS0 GTP-GAMMA-S BOUND G42V GIA1 1997-08-11 1997-11-12 Raw, A.S.,Coleman, D.E.,Gilman, A.G.,Sprang, S.R. Structural and biochemical characterization of the GTPgammaS-, GDP.Pi-, and GDP-bound forms of a GTPase-deficient Gly42 --> Val mutant of Gialpha1. Biochemistry 1997 36 15660 15669 1YCS P53-53BP2 COMPLEX 1996-09-30 1997-11-19 Gorina, S.,Pavletich, N.P. Structure of the p53 tumor suppressor bound to the ankyrin and SH3 domains of 53BP2. Science 1996 274 1001 1005 1NLS CONCANAVALIN A AND ITS BOUND SOLVENT AT 0.94A RESOLUTION 1997-01-28 1997-11-26 Deacon, A.,Gleichmann, T.,Kalb(Gilboa), A.J.,Price, H.,Raftery, J.,Bradbrook, G.,Yariv, J.,Helliwell, J.R. The Structure of Concanavalin a and its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution J.Chem.Soc.,Faraday Trans. 1997 93 4305 0 354D Structure of loop E FROM E. coli 5S RRNA 1997-10-01 1997-11-26 Correll, C.C.,Freeborn, B.,Moore, P.B.,Steitz, T.A. Metals, motifs, and recognition in the crystal structure of a 5S rRNA domain. Cell(Cambridge,Mass.) 1997 91 705 712 1JLX AGGLUTININ IN COMPLEX WITH T-DISACCHARIDE 1997-07-23 1997-12-03 Transue, T.R.,Smith, A.K.,Mo, H.,Goldstein, I.J.,Saper, M.A. Structure of benzyl T-antigen disaccharide bound to Amaranthus caudatus agglutinin. Nat.Struct.Biol. 1997 4 779 783 364D 3.0 A STRUCTURE OF FRAGMENT I FROM E. COLI 5S RRNA 1997-12-08 1998-01-02 Correll, C.C.,Freeborn, B.,Moore, P.B.,Steitz, T.A. Metals, motifs, and recognition in the crystal structure of a 5S rRNA domain. Cell(Cambridge,Mass.) 1997 91 705 712 1ACC ANTHRAX PROTECTIVE ANTIGEN 1997-02-05 1998-02-11 Petosa, C.,Collier, R.J.,Klimpel, K.R.,Leppla, S.H.,Liddington, R.C. Crystal structure of the anthrax toxin protective antigen. Nature 1997 385 833 838 1AZS COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE 1997-11-20 1998-02-25 Tesmer, J.J.,Sunahara, R.K.,Gilman, A.G.,Sprang, S.R. Crystal structure of the catalytic domains of adenylyl cyclase in a complex with Gsalpha.GTPgammaS. Science 1997 278 1907 1916 1AZT GS-ALPHA COMPLEXED WITH GTP-GAMMA-S 1997-11-20 1998-02-25 Sunahara, R.K.,Tesmer, J.J.,Gilman, A.G.,Sprang, S.R. Crystal structure of the adenylyl cyclase activator Gsalpha Science 1997 278 1943 1947 3CAA CLEAVED ANTICHYMOTRYPSIN A347R 1997-08-18 1998-02-25 Lukacs, C.M.,Rubin, H.,Christianson, D.W. Engineering an anion-binding cavity in antichymotrypsin modulates the ""spring-loaded"" serpin-protease interaction. Biochemistry 1998 37 3297 3304 4CAA CLEAVED ANTICHYMOTRYPSIN T345R 1997-08-14 1998-02-25 Lukacs, C.M.,Rubin, H.,Christianson, D.W. Engineering an anion-binding cavity in antichymotrypsin modulates the ""spring-loaded"" serpin-protease interaction. Biochemistry 1998 37 3297 3304 1AVQ TOROIDAL STRUCTURE OF LAMBDA EXONUCLEASE DETERMINED AT 2.4 ANGSTROMS 1997-09-18 1998-03-18 Kovall, R.,Matthews, B.W. Toroidal structure of lambda-exonuclease. Science 1997 277 1824 1827 1PS1 PENTALENENE SYNTHASE 1997-03-23 1998-03-25 Lesburg, C.A.,Zhai, G.,Cane, D.E.,Christianson, D.W. Crystal structure of pentalenene synthase: mechanistic insights on terpenoid cyclization reactions in biology. Science 1997 277 1820 1824 1A06 CALMODULIN-DEPENDENT PROTEIN KINASE FROM RAT 1997-12-09 1998-04-08 Goldberg, J.,Nairn, A.C.,Kuriyan, J. Structural basis for the autoinhibition of calcium/calmodulin-dependent protein kinase I. Cell(Cambridge,Mass.) 1996 84 875 887 2TN4 FOUR CALCIUM TNC 1997-09-18 1998-04-08 Houdusse, A.,Love, M.L.,Dominguez, R.,Grabarek, Z.,Cohen, C. Structures of four Ca2+-bound troponin C at 2.0 A resolution: further insights into the Ca2+-switch in the calmodulin superfamily. Structure 1997 5 1695 1711 1IAM STRUCTURE OF THE TWO AMINO-TERMINAL DOMAINS OF HUMAN INTERCELLULAR ADHESION MOLECULE-1, ICAM-1 1998-02-22 1998-04-29 Bella, J.,Kolatkar, P.R.,Marlor, C.W.,Greve, J.M.,Rossmann, M.G. The structure of the two amino-terminal domains of human ICAM-1 suggests how it functions as a rhinovirus receptor and as an LFA-1 integrin ligand. Proc.Natl.Acad.Sci.USA 1998 95 4140 4145 1A3J X-RAY CRYSTALLOGRAPHIC DETERMINATION OF A COLLAGEN-LIKE PEPTIDE WITH THE REPEATING SEQUENCE (PRO-PRO-GLY) 1998-01-22 1998-05-06 Kramer, R.Z.,Vitagliano, L.,Bella, J.,Berisio, R.,Mazzarella, L.,Brodsky, B.,Zagari, A.,Berman, H.M. X-ray crystallographic determination of a collagen-like peptide with the repeating sequence (Pro-Pro-Gly). J.Mol.Biol. 1998 280 623 638 1GBN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH THE NEUROTOXIN GABACULINE 1997-05-29 1998-06-03 Shah, S.A.,Shen, B.W.,Brunger, A.T. Human ornithine aminotransferase complexed with L-canaline and gabaculine: structural basis for substrate recognition. Structure 1997 5 1067 1075 2CAN HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH L-CANALINE 1997-05-29 1998-06-03 Shah, S.A.,Shen, B.W.,Brunger, A.T. Human ornithine aminotransferase complexed with L-canaline and gabaculine: structural basis for substrate recognition. Structure 1997 5 1067 1075 2FOK STRUCTURE OF RESTRICTION ENDONUCLEASE FOKI 1998-03-30 1998-06-17 Wah, D.A.,Bitinaite, J.,Schildkraut, I.,Aggarwal, A.K. Structure of FokI has implications for DNA cleavage. Proc.Natl.Acad.Sci.Usa 1998 95 10564 10569 1YGS CRYSTAL STRUCTURE OF THE SMAD4 TUMOR SUPPRESSOR C-TERMINAL DOMAIN 1997-10-03 1998-07-08 Shi, Y.,Hata, A.,Lo, R.S.,Massague, J.,Pavletich, N.P. A structural basis for mutational inactivation of the tumour suppressor Smad4. Nature 1997 388 87 93 1BL8 POTASSIUM CHANNEL (KCSA) FROM STREPTOMYCES LIVIDANS 1998-07-23 1998-07-29 Doyle, D.A.,Morais Cabral, J.,Pfuetzner, R.A.,Kuo, A.,Gulbis, J.M.,Cohen, S.L.,Chait, B.T.,MacKinnon, R. The structure of the potassium channel: molecular basis of K+ conduction and selectivity. Science 1998 280 69 77 1BF5 TYROSINE PHOSPHORYLATED STAT-1/DNA COMPLEX 1998-05-27 1998-08-12 Chen, X.,Vinkemeier, U.,Zhao, Y.,Jeruzalmi, D.,Darnell Jr., J.E.,Kuriyan, J. Crystal structure of a tyrosine phosphorylated STAT-1 dimer bound to DNA. Cell(Cambridge,Mass.) 1998 93 827 839 1BD2 COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201 1998-05-12 1998-08-19 Ding, Y.H.,Smith, K.J.,Garboczi, D.N.,Utz, U.,Biddison, W.E.,Wiley, D.C. Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids. Immunity 1998 8 403 411 1BR1 SMOOTH MUSCLE MYOSIN MOTOR DOMAIN-ESSENTIAL LIGHT CHAIN COMPLEX WITH MGADP.ALF4 BOUND AT THE ACTIVE SITE 1998-08-26 1998-09-09 Dominguez, R.,Freyzon, Y.,Trybus, K.M.,Cohen, C. Crystal structure of a vertebrate smooth muscle myosin motor domain and its complex with the essential light chain: visualization of the pre-power stroke state. Cell(Cambridge,Mass.) 1998 94 559 571 1BR4 SMOOTH MUSCLE MYOSIN MOTOR DOMAIN-ESSENTIAL LIGHT CHAIN COMPLEX WITH MGADP.BEF3 BOUND AT THE ACTIVE SITE 1998-08-27 1998-09-09 Dominguez, R.,Freyzon, Y.,Trybus, K.M.,Cohen, C. Crystal structure of a vertebrate smooth muscle myosin motor domain and its complex with the essential light chain: visualization of the pre-power stroke state. Cell(Cambridge,Mass.) 1998 94 559 571 397D A 1.3 A RESOLUTION CRYSTAL STRUCTURE OF THE HIV-1 TRANS-ACTIVATION RESPONSE REGION RNA STEM REVEALS A METAL ION-DEPENDENT BULGE CONFORMATION 1998-04-30 1998-09-11 Ippolito, J.A.,Steitz, T.A. A 1.3-A resolution crystal structure of the HIV-1 trans-activation response region RNA stem reveals a metal ion-dependent bulge conformation. Proc.Natl.Acad.Sci.USA 1998 95 9819 9824 430D STRUCTURE OF SARCIN/RICIN LOOP FROM RAT 28S RRNA 1998-10-04 1998-10-07 Correll, C.C.,Munishkin, A.,Chan, Y.L.,Ren, Z.,Wool, I.G.,Steitz, T.A. Crystal structure of the ribosomal RNA domain essential for binding elongation factors. Proc.Natl.Acad.Sci.USA 1998 95 13436 13441 1BNL ZINC DEPENDENT DIMERS OBSERVED IN CRYSTALS OF HUMAN ENDOSTATIN 1998-07-30 1998-10-14 Ding, Y.H.,Javaherian, K.,Lo, K.M.,Chopra, R.,Boehm, T.,Lanciotti, J.,Harris, B.A.,Li, Y.,Shapiro, R.,Hohenester, E.,Timpl, R.,Folkman, J.,Wiley, D.C. Zinc-dependent dimers observed in crystals of human endostatin. Proc.Natl.Acad.Sci.USA 1998 95 10443 10448 1FZC CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH TWO DIFFERENT BOUND LIGANDS 1998-05-19 1998-10-14 Everse, S.J.,Spraggon, G.,Veerapandian, L.,Riley, M.,Doolittle, R.F. Crystal structure of fragment double-D from human fibrin with two different bound ligands. Biochemistry 1998 37 8637 8642 3THI THIAMINASE I FROM BACILLUS THIAMINOLYTICUS 1998-10-04 1998-10-14 Campobasso, N.,Costello, C.A.,Kinsland, C.,Begley, T.P.,Ealick, S.E. Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution. Biochemistry 1998 37 15981 15989 4THI THIAMINASE I FROM BACILLUS THIAMINOLYTICUS WITH COVALENTLY BOUND 4-AMINO-2,5-DIMETHYLPYRIMIDINE 1998-10-05 1998-10-14 Campobasso, N.,Costello, C.A.,Kinsland, C.,Begley, T.P.,Ealick, S.E. Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution. Biochemistry 1998 37 15981 15989 1BX2 CRYSTAL STRUCTURE OF HLA-DR2 (DRA*0101,DRB1*1501) COMPLEXED WITH A PEPTIDE FROM HUMAN MYELIN BASIC PROTEIN 1998-10-12 1998-10-21 Smith, K.J.,Pyrdol, J.,Gauthier, L.,Wiley, D.C.,Wucherpfennig, K.W. Crystal structure of HLA-DR2 (DRA*0101, DRB1*1501) complexed with a peptide from human myelin basic protein. J.Exp.Med. 1998 188 1511 1520 1BYQ HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG 1998-10-19 1998-10-28 Obermann, W.M.,Sondermann, H.,Russo, A.A.,Pavletich, N.P.,Hartl, F.U. In vivo function of Hsp90 is dependent on ATP binding and ATP hydrolysis. J.Cell Biol. 1998 143 901 910 1BH2 A326S MUTANT OF AN INHIBITORY ALPHA SUBUNIT 1998-06-12 1998-11-04 Posner, B.A.,Mixon, M.B.,Wall, M.A.,Sprang, S.R.,Gilman, A.G. The A326S mutant of Gialpha1 as an approximation of the receptor-bound state. J.Biol.Chem. 1998 273 21752 21758 1BHT NK1 FRAGMENT OF HUMAN HEPATOCYTE GROWTH FACTOR 1998-06-10 1998-11-04 Ultsch, M.,Lokker, N.A.,Godowski, P.J.,de Vos, A.M. Crystal structure of the NK1 fragment of human hepatocyte growth factor at 2.0 A resolution. Structure 1998 6 1383 1393 1LTM ACCELERATED X-RAY STRUCTURE ELUCIDATION OF A 36 KDA MURAMIDASE/TRANSGLYCOSYLASE USING WARP 1997-09-26 1998-11-11 Van Asselt, E.J.,Perrakis, A.,Kalk, K.H.,Lamzin, V.S.,Dijkstra, B.W. Accelerated X-ray structure elucidation of a 36 kDa muramidase/transglycosylase using wARP. Acta Crystallogr.,Sect.D 1998 54 58 73 2KFN KLENOW FRAGMENT WITH BRIDGING-SULFUR SUBSTRATE AND MANGANESE 1998-07-01 1998-11-11 Brautigam, C.A.,Sun, S.,Piccirilli, J.A.,Steitz, T.A. Structures of normal single-stranded DNA and deoxyribo-3'-S-phosphorothiolates bound to the 3'-5' exonucleolytic active site of DNA polymerase I from Escherichia coli. Biochemistry 1999 38 696 704 2KFZ KLENOW FRAGMENT WITH BRIDGING-SULFUR SUBSTRATE AND ZINC ONLY 1998-07-02 1998-11-11 Brautigam, C.A.,Sun, S.,Piccirilli, J.A.,Steitz, T.A. Structures of normal single-stranded DNA and deoxyribo-3'-S-phosphorothiolates bound to the 3'-5' exonucleolytic active site of DNA polymerase I from Escherichia coli. Biochemistry 1999 38 696 704 1GUX RB POCKET BOUND TO E7 LXCXE MOTIF 1997-11-15 1998-12-02 Lee, J.O.,Russo, A.A.,Pavletich, N.P. Structure of the retinoblastoma tumour-suppressor pocket domain bound to a peptide from HPV E7. Nature 1998 391 859 865 1BOF GI-ALPHA-1 BOUND TO GDP AND MAGNESIUM 1998-08-04 1999-01-06 Coleman, D.E.,Sprang, S.R. Crystal structures of the G protein Gi alpha 1 complexed with GDP and Mg2+: a crystallographic titration experiment. Biochemistry 1998 37 14376 14385 1BI7 MECHANISM OF G1 CYCLIN DEPENDENT KINASE INHIBITION FROM THE STRUCTURE OF THE CDK6-P16INK4A TUMOR SUPPRESSOR COMPLEX 1998-06-22 1999-01-13 Russo, A.A.,Tong, L.,Lee, J.O.,Jeffrey, P.D.,Pavletich, N.P. Structural basis for inhibition of the cyclin-dependent kinase Cdk6 by the tumour suppressor p16INK4a. Nature 1998 395 237 243 1BJ1 VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH A NEUTRALIZING ANTIBODY 1998-06-30 1999-01-13 Muller, Y.A.,Chen, Y.,Christinger, H.W.,Li, B.,Cunningham, B.C.,Lowman, H.B.,de Vos, A.M. VEGF and the Fab fragment of a humanized neutralizing antibody: crystal structure of the complex at 2.4 A resolution and mutational analysis of the interface. Structure 1998 6 1153 1167 1BK6 KARYOPHERIN ALPHA (YEAST) + SV40 T ANTIGEN NLS 1998-07-14 1999-01-13 Conti, E.,Uy, M.,Leighton, L.,Blobel, G.,Kuriyan, J. Crystallographic analysis of the recognition of a nuclear localization signal by the nuclear import factor karyopherin alpha. Cell(Cambridge,Mass.) 1998 94 193 204 1BRW THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION 1998-08-25 1999-01-13 Pugmire, M.J.,Ealick, S.E. The crystal structure of pyrimidine nucleoside phosphorylase in a closed conformation. Structure 1998 6 1467 1479 1FLT VEGF IN COMPLEX WITH DOMAIN 2 OF THE FLT-1 RECEPTOR 1997-11-20 1999-01-13 Wiesmann, C.,Fuh, G.,Christinger, H.W.,Eigenbrot, C.,Wells, J.A.,de Vos, A.M. Crystal structure at 1.7 A resolution of VEGF in complex with domain 2 of the Flt-1 receptor. Cell(Cambridge,Mass.) 1997 91 695 704 1HVU HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE COMPLEXED WITH A 33-BASE NUCLEOTIDE RNA PSEUDOKNOT 1998-06-30 1999-01-13 Jaeger, J.,Restle, T.,Steitz, T.A. The structure of HIV-1 reverse transcriptase complexed with an RNA pseudoknot inhibitor. EMBO J. 1998 17 4535 4542 1GUM 10329152 HUMAN GLUTATHIONE TRANSFERASE A4-4 WITHOUT LIGANDS 1998-06-11 1999-01-27 Bruns, C.M.,Hubatsch, I.,Ridderstrom, M.,Mannervik, B.,Tainer, J.A. Human glutathione transferase A4-4 crystal structures and mutagenesis reveal the basis of high catalytic efficiency with toxic lipid peroxidation products J.Mol.Biol. 1999 288 427 439 1B77 10535734 BUILDING A REPLISOME STRUCTURE FROM INTERACTING PIECES: A SLIDING CLAMP COMPLEXED WITH AN INTERACTION PEPTIDE FROM DNA POLYMERASE 1999-01-27 1999-02-08 Shamoo, Y.,Steitz, T.A. Building a replisome from interacting pieces: sliding clamp complexed to a peptide from DNA polymerase and a polymerase editing complex. Cell(Cambridge,Mass.) 1999 99 155 166 1B8H 10535734 SLIDING CLAMP, DNA POLYMERASE 1999-02-01 1999-02-09 Shamoo, Y.,Steitz, T.A. Building a replisome from interacting pieces: sliding clamp complexed to a peptide from DNA polymerase and a polymerase editing complex. Cell(Cambridge,Mass.) 1999 99 155 166 1QAB 10052934 The structure of human retinol binding protein with its carrier protein transthyretin reveals interaction with the carboxy terminus of RBP 1999-02-03 1999-02-16 Naylor, H.M.,Newcomer, M.E. The structure of human retinol-binding protein (RBP) with its carrier protein transthyretin reveals an interaction with the carboxy terminus of RBP. Biochemistry 1999 38 2647 2653 2KZM KLENOW FRAGMENT WITH NORMAL SUBSTRATE AND ZINC AND MANGANESE 1998-07-03 1999-02-16 Brautigam, C.A.,Sun, S.,Piccirilli, J.A.,Steitz, T.A. Structures of normal single-stranded DNA and deoxyribo-3'-S-phosphorothiolates bound to the 3'-5' exonucleolytic active site of DNA polymerase I from Escherichia coli. Biochemistry 1999 38 696 704 1B9Y 10360181 STRUCTURAL ANALYSIS OF PHOSDUCIN AND ITS PHOSPHORYLATION-REGULATED INTERACTION WITH TRANSDUCIN BETA-GAMMA 1999-02-16 1999-02-23 Gaudet, R.,Savage, J.R.,McLaughlin, J.N.,Willardson, B.M.,Sigler, P.B. A molecular mechanism for the phosphorylation-dependent regulation of heterotrimeric G proteins by phosducin. Mol.Cell 1999 3 649 660 2UGI 10080896 PROTEIN MIMICRY OF DNA FROM CRYSTAL STRUCTURES OF THE URACIL GLYCOSYLASE INHIBITOR PROTEIN AND ITS COMPLEX WITH ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE 1998-11-06 1999-03-25 Putnam, C.D.,Shroyer, M.J.,Lundquist, A.J.,Mol, C.D.,Arvai, A.S.,Mosbaugh, D.W.,Tainer, J.A. Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase J.Mol.Biol. 1999 287 331 346 3PNP THE HIGH RESOLUTION CRYSTAL STRUCTURE OF BOVINE SPLEEN PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX FORMS WITH PHOSPHATE AND 9-DEAZAINOSINE 1998-03-27 1999-03-30 Pugmire, M.J.,Mao, C.,Ealick, S.E. The High Resolution Crystal Structure of Bovine Spleen Purine Nucleoside Phosphorylase in Complex Forms with Phosphate and 9-Deazainosine To be Published 0 0 0 0 4PNP THE HIGH RESOLUTION CRYSTAL STRUCTURE OF BOVINE SPLEEN PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX FORMS WITH PHOSPHATE AND 9-DEAZAINOSINE 1998-03-30 1999-03-30 Pugmire, M.J.,Mao, C.,Ealick, S.E. The High Resolution Crystal Structure of Bovine Spleen Purine Nucleoside Phosphorylase in Complex Forms with Phosphate and 9-Deazainosine To be Published 0 0 0 0 1CF7 10090723 STRUCTURAL BASIS OF DNA RECOGNITION BY THE HETERODIMERIC CELL CYCLE TRANSCRIPTION FACTOR E2F-DP 1999-03-24 1999-04-02 Zheng, N.,Fraenkel, E.,Pabo, C.O.,Pavletich, N.P. Structural basis of DNA recognition by the heterodimeric cell cycle transcription factor E2F-DP. Genes Dev. 1999 13 666 674 1CIP 10358003 GI-ALPHA-1 SUBUNIT OF GUANINE NUCLEOTIDE-BINDING PROTEIN COMPLEXED WITH A GTP ANALOGUE 1999-04-05 1999-04-09 Coleman, D.E.,Sprang, S.R. Structure of Gialpha1.GppNHp, autoinhibition in a galpha protein-substrate complex. J.Biol.Chem. 1999 274 16669 16672 1B3O 10097070 TERNARY COMPLEX OF HUMAN TYPE-II INOSINE MONOPHOSPHATE DEHYDROGENASE WITH 6-CL-IMP AND SELENAZOLE ADENINE DINUCLEOTIDE 1998-12-14 1999-04-12 Colby, T.D.,Vanderveen, K.,Strickler, M.D.,Markham, G.D.,Goldstein, B.M. Crystal structure of human type II inosine monophosphate dehydrogenase: implications for ligand binding and drug design. Proc.Natl.Acad.Sci.USA 1999 96 3531 3536 261L 10339544 STRUCTURAL CHARACTERISATION OF AN ENGINEERED TANDEM REPEAT CONTRASTS THE IMPORTANCE OF CONTEXT AND SEQUENCE IN PROTEIN FOLDING 1999-05-11 1999-05-24 Sagermann, M.,Baase, W.A.,Matthews, B.W. Structural characterization of an engineered tandem repeat contrasts the importance of context and sequence in protein folding. Proc.Natl.Acad.Sci.USA 1999 96 6078 6083 1A41 TYPE 1-TOPOISOMERASE CATALYTIC FRAGMENT FROM VACCINIA VIRUS 1998-02-10 1999-06-01 Cheng, C.,Kussie, P.,Pavletich, N.,Shuman, S. Conservation of structure and mechanism between eukaryotic topoisomerase I and site-specific recombinases. Cell(Cambridge,Mass.) 1998 92 841 850 1CN3 INTERACTION OF POLYOMAVIRUS INTERNAL PROTEIN VP2 WITH MAJOR CAPSID PROTEIN VP1 AND IMPLICATIONS FOR PARTICIPATION OF VP2 IN VIRAL ENTRY 1999-05-24 1999-06-09 Chen, X.S.,Stehle, T.,Harrison, S.C. Interaction of polyomavirus internal protein VP2 with the major capsid protein VP1 and implications for participation of VP2 in viral entry. EMBO J. 1998 17 3233 3240 1QSL 10631518 KLENOW FRAGMENT COMPLEXED WITH SINGLE-STRANDED SUBSTRATE AND EUROPIUM (III) ION 1999-06-22 1999-06-30 Brautigam, C.A.,Aschheim, K.,Steitz, T.A. Structural elucidation of the binding and inhibitory properties of lanthanide (III) ions at the 3'-5' exonucleolytic active site of the Klenow fragment Chem.Biol. 1999 6 901 908 1WWC 10388563 NT3 BINDING DOMAIN OF HUMAN TRKC RECEPTOR 1999-04-30 1999-07-07 Ultsch, M.H.,Wiesmann, C.,Simmons, L.C.,Henrich, J.,Yang, M.,Reilly, D.,Bass, S.H.,de Vos, A.M. Crystal structures of the neurotrophin-binding domain of TrkA, TrkB and TrkC. J.Mol.Biol. 1999 290 149 159 1C0R 10579833 COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID 1999-07-20 1999-07-30 Loll, P.J.,Kaplan, J.,Selinsky, B.S.,Axelsen, P.H. Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding. J.Med.Chem. 1999 42 4714 0 1QD8 10579833 COMPLEX OF VANCOMYCIN WITH N-ACETYL GLYCINE 1999-07-15 1999-08-16 Loll, P.J.,Kaplan, J.,Selinsky, B.S.,Axelsen, P.H. Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding. J.Med.Chem. 1999 42 4714 0 1CS8 CRYSTAL STRUCTURE OF PROCATHEPSIN L 1999-08-17 1999-08-23 Coulombe, R.,Grochulski, P.,Sivaraman, J.,Menard, R.,Mort, J.S.,Cygler, M. Structure of human procathepsin L reveals the molecular basis of inhibition by the prosegment. EMBO J. 1996 15 5492 5503 1GCE 10441119 STRUCTURE OF THE BETA-LACTAMASE OF ENTEROBACTER CLOACAE GC1 1999-05-17 1999-08-27 Crichlow, G.V.,Kuzin, A.P.,Nukaga, M.,Mayama, K.,Sawai, T.,Knox, J.R. Structure of the extended-spectrum class C beta-lactamase of Enterobacter cloacae GC1, a natural mutant with a tandem tripeptide insertion. Biochemistry 1999 38 10256 10261 1QTE 10452894 CRYSTAL STRUCTURE OF THE 70 KDA SOLUBLE LYTIC TRANSGLYCOSYLASE SLT70 FROM ESCHERICHIA COLI AT 1.90 A RESOLUTION IN COMPLEX WITH A 1,6-ANHYDROMUROTRIPEPTIDE 1999-06-27 1999-08-31 van Asselt, E.J.,Thunnissen, A.M.,Dijkstra, B.W. High resolution crystal structures of the Escherichia coli lytic transglycosylase Slt70 and its complex with a peptidoglycan fragment. J.Mol.Biol. 1999 291 877 898 1QU2 10446055 INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN 1999-07-06 1999-08-31 Silvian, L.F.,Wang, J.,Steitz, T.A. Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin. Science 1999 285 1074 1077 1QU3 10446055 INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN 1999-07-06 1999-08-31 Silvian, L.F.,Wang, J.,Steitz, T.A. Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin. Science 1999 285 1074 1077 1QSA 10452894 CRYSTAL STRUCTURE OF THE 70 KDA SOLUBLE LYTIC TRANSGLYCOSYLASE SLT70 FROM ESCHERICHIA COLI AT 1.65 ANGSTROMS RESOLUTION 1999-06-20 1999-09-01 van Asselt, E.J.,Thunnissen, A.M.,Dijkstra, B.W. High resolution crystal structures of the Escherichia coli lytic transglycosylase Slt70 and its complex with a peptidoglycan fragment. J.Mol.Biol. 1999 291 877 898 1QSN 10485713 CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND COENZYME A AND HISTONE H3 PEPTIDE 1999-06-22 1999-09-08 Rojas, J.R.,Trievel, R.C.,Zhou, J.,Mo, Y.,Li, X.,Berger, S.L.,Allis, C.D.,Marmorstein, R. Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide. Nature 1999 401 93 98 1QUS 10545329 1.7 A RESOLUTION STRUCTURE OF THE SOLUBLE LYTIC TRANSGLYCOSYLASE SLT35 FROM ESCHERICHIA COLI 1999-07-03 1999-09-15 van Asselt, E.J.,Dijkstra, A.J.,Kalk, K.H.,Takacs, B.,Keck, W.,Dijkstra, B.W. Crystal structure of Escherichia coli lytic transglycosylase Slt35 reveals a lysozyme-like catalytic domain with an EF-hand. Structure Fold.Des. 1999 7 1167 1180 1CVJ 10499800 X-RAY CRYSTAL STRUCTURE OF THE POLY(A)-BINDING PROTEIN IN COMPLEX WITH POLYADENYLATE RNA 1999-08-23 1999-10-04 Deo, R.C.,Bonanno, J.B.,Sonenberg, N.,Burley, S.K. Recognition of polyadenylate RNA by the poly(A)-binding protein. Cell(Cambridge,Mass.) 1999 98 835 845 1D1L 10686105 CRYSTAL STRUCTURE OF CRO-F58W MUTANT 1999-09-17 1999-10-06 Rupert, P.B.,Mollah, A.K.,Mossing, M.C.,Matthews, B.W. The structural basis for enhanced stability and reduced DNA binding seen in engineered second-generation Cro monomers and dimers. J.Mol.Biol. 2000 296 1079 1090 1D1Z 10549287 CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP 1999-09-22 1999-10-13 Poy, F.,Yaffe, M.B.,Sayos, J.,Saxena, K.,Morra, M.,Sumegi, J.,Cantley, L.C.,Terhorst, C.,Eck, M.J. Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition. Mol.Cell 1999 4 555 561 1D4T 10549287 CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH A SLAM PEPTIDE 1999-10-06 1999-10-14 Poy, F.,Yaffe, M.B.,Sayos, J.,Saxena, K.,Morra, M.,Sumegi, J.,Cantley, L.C.,Terhorst, C.,Eck, M.J. Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition. Mol.Cell 1999 4 555 561 1QQC 10545321 CRYSTAL STRUCTURE OF AN ARCHAEBACTERIAL DNA POLYMERASE D.TOK 1999-06-02 1999-10-14 Zhao, Y.,Jeruzalmi, D.,Moarefi, I.,Leighton, L.,Lasken, R.,Kuriyan, J. Crystal structure of an archaebacterial DNA polymerase Structure Fold.Des. 1999 7 1189 1199 1QK3 10545170 TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE GMP COMPLEX 1999-07-09 1999-10-17 Heroux, A.,White, E.L.,Ross, L.J.,Borhani, D.W. Crystal Structures of the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Gmp and -Imp Complexes: Comparison of Purine Binding Interactions with the Xmp Complex Biochemistry 1999 38 14485 0 1CLQ 10535734 CRYSTAL STRUCTURE OF A REPLICATION FORK DNA POLYMERASE EDITING COMPLEX AT 2.7 A RESOLUTION 1999-04-30 1999-10-28 Shamoo, Y.,Steitz, T.A. Building a replisome from interacting pieces: sliding clamp complexed to a peptide from DNA polymerase and a polymerase editing complex. Cell(Cambridge,Mass.) 1999 99 155 166 1QCU 10555960 CRYSTAL STRUCTURE OF AN 18 BASE PAIR COPY CONTROL RELATED RNA DUPLEX 1999-05-14 1999-11-11 Klosterman, P.S.,Shah, S.A.,Steitz, T.A. Crystal structures of two plasmid copy control related RNA duplexes: An 18 base pair duplex at 1.20 A resolution and a 19 base pair duplex at 1.55 A resolution. Biochemistry 1999 38 14784 14792 1D3V 10542097 CRYSTAL STRUCTURE OF THE BINUCLEAR MANGANESE METALLOENZYME ARGINASE COMPLEXED WITH 2(S)-AMINO-6-BORONOHEXANOIC ACID, AN L-ARGININE ANALOG 1999-10-01 1999-11-17 Cox, J.D.,Kim, N.N.,Traish, A.M.,Christianson, D.W. Arginase-boronic acid complex highlights a physiological role in erectile function. Nat.Struct.Biol. 1999 6 1043 1048 2TOD 10563800 ORNITHINE DECARBOXYLASE FROM TRYPANOSOMA BRUCEI K69A MUTANT IN COMPLEX WITH ALPHA-DIFLUOROMETHYLORNITHINE 1999-05-18 1999-11-17 Grishin, N.V.,Osterman, A.L.,Brooks, H.B.,Phillips, M.A.,Goldsmith, E.J. X-ray structure of ornithine decarboxylase from Trypanosoma brucei: the native structure and the structure in complex with alpha-difluoromethylornithine. Biochemistry 1999 38 15174 15184 1CQZ 10485878 CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE. 1999-08-12 1999-11-19 Argiriadi, M.A.,Morisseau, C.,Hammock, B.D.,Christianson, D.W. Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase. Proc.Natl.Acad.Sci.USA 1999 96 10637 10642 1CR6 10485878 CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CPU INHIBITOR 1999-08-13 1999-11-19 Argiriadi, M.A.,Morisseau, C.,Hammock, B.D.,Christianson, D.W. Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase. Proc.Natl.Acad.Sci.USA 1999 96 10637 10642 1QQD 10429675 CRYSTAL STRUCTURE OF HLA-CW4, A LIGAND FOR THE KIR2D NATURAL KILLER CELL INHIBITORY RECEPTOR 1999-06-03 1999-12-08 Fan, Q.R.,Wiley, D.C. Structure of human histocompatibility leukocyte antigen (HLA)-Cw4, a ligand for the KIR2D natural killer cell inhibitory receptor J.Exp.Med. 1999 190 113 123 1DJ8 10623550 CRYSTAL STRUCTURE OF E. COLI PERIPLASMIC PROTEIN HDEA 1999-12-02 1999-12-10 Gajiwala, K.S.,Burley, S.K. HDEA, a periplasmic protein that supports acid resistance in pathogenic enteric bacteria. J.Mol.Biol. 2000 295 605 612 1QSF 10435578 STRUCTURE OF A6-TCR BOUND TO HLA-A2 COMPLEXED WITH ALTERED HTLV-1 TAX PEPTIDE Y8A 1999-06-21 1999-12-21 Ding, Y.H.,Baker, B.M.,Garboczi, D.N.,Biddison, W.E.,Wiley, D.C. Four A6-TCR/peptide/HLA-A2 structures that generate very different T cell signals are nearly identical. Immunity 1999 11 45 56 1QN6 10617571 Crystal structure of the T(-26) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. 1999-10-14 2000-02-07 Patikoglou, G.A.,Kim, J.L.,Sun, L.,Yang, S.-H.,Kodadek, T.,Burley, S.K. TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution Genes Dev. 1999 13 3217 0 1QN8 10617571 Crystal structure of the T(-28) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. 1999-10-14 2000-02-07 Patikoglou, G.A.,Kim, J.L.,Sun, L.,Yang, S.-H.,Kodadek, T.,Burley, S.K. TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution Genes Dev. 1999 13 3217 0 1QN9 10617571 Crystal structure of the C(-29) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. 1999-10-14 2000-02-07 Patikoglou, G.A.,Kim, J.L.,Sun, L.,Yang, S.-H.,Kodadek, T.,Burley, S.K. TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution Genes Dev. 1999 13 3217 0 1QNC 10617571 Crystal structure of the A(-31) Adenovirus major late promoter TATA box variant bound to wild-type TBP (Arabidopsis thaliana TBP isoform 2). TATA element recognition by the TATA box-binding protein has been conserved throughout evolution. 1999-10-14 2000-02-07 Patikoglou, G.A.,Kim, J.L.,Sun, L.,Yang, S.-H.,Kodadek, T.,Burley, S.K. TATA Element Recognition by the TATA Box-Binding Protein Has Been Conserved Throughout Evolution Genes Dev. 1999 13 3217 0 1BXZ 10651277 CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII 1998-10-09 2000-02-18 Li, C.,Heatwole, J.,Soelaiman, S.,Shoham, M. Crystal structure of a thermophilic alcohol dehydrogenase substrate complex suggests determinants of substrate specificity and thermostability. Proteins 1999 37 619 627 1EC6 10676814 CRYSTAL STRUCTURE OF NOVA-2 KH3 K-HOMOLOGY RNA-BINDING DOMAIN BOUND TO 20-MER RNA HAIRPIN 2000-01-25 2000-02-21 Lewis, H.A.,Musunuru, K.,Jensen, K.B.,Edo, C.,Chen, H.,Darnell, R.B.,Burley, S.K. Sequence-specific RNA binding by a Nova KH domain: implications for paraneoplastic disease and the fragile X syndrome. Cell(Cambridge,Mass.) 2000 100 323 332 1CY1 10504732 COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'PTPTPT 1999-08-31 2000-03-03 Feinberg, H.,Changela, A.,Mondragon, A. Protein-nucleotide interactions in E. coli DNA topoisomerase I. Nat.Struct.Biol. 1999 6 961 968 1CY2 10504732 COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH TPTPTP3' 1999-08-31 2000-03-08 Feinberg, H.,Changela, A.,Mondragon, A. Protein-nucleotide interactions in E. coli DNA topoisomerase I. Nat.Struct.Biol. 1999 6 961 968 1D0A 10518213 STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 (TRAF2) IN COMPLEX WITH A HUMAN OX40 PEPTIDE 1999-09-09 2000-03-08 Ye, H.,Park, Y.C.,Kreishman, M.,Kieff, E.,Wu, H. The structural basis for the recognition of diverse receptor sequences by TRAF2. Mol.Cell 1999 4 321 330 1EJH 10394359 EIF4E/EIF4G PEPTIDE/7-METHYL-GDP 2000-03-02 2000-03-10 Marcotrigiano, J.,Gingras, A.C.,Sonenberg, N.,Burley, S.K. Cap-dependent translation initiation in eukaryotes is regulated by a molecular mimic of eIF4G. Mol.Cell 1999 3 707 716 1EBM 10706276 CRYSTAL STRUCTURE OF THE HUMAN 8-OXOGUANINE GLYCOSYLASE (HOGG1) BOUND TO A SUBSTRATE OLIGONUCLEOTIDE 2000-01-24 2000-03-20 Bruner, S.D.,Norman, D.P.,Verdine, G.L. Structural basis for recognition and repair of the endogenous mutagen 8-oxoguanine in DNA. Nature 2000 403 859 866 1QE6 10707023 INTERLEUKIN-8 WITH AN ADDED DISULFIDE BETWEEN RESIDUES 5 AND 33 (L5C/H33C) 1999-07-13 2000-03-22 Gerber, N.,Lowman, H.,Artis, D.R.,Eigenbrot, C. Receptor-binding conformation of the ""ELR"" motif of IL-8: X-ray structure of the L5C/H33C variant at 2.35 A resolution. Proteins 2000 38 361 367 1D5A 10545321 CRYSTAL STRUCTURE OF AN ARCHAEBACTERIAL DNA POLYMERASE D.TOK. DEPOSITION OF SECOND NATIVE STRUCTURE AT 2.4 ANGSTROM 1999-10-06 2000-03-24 Zhao, Y.,Jeruzalmi, D.,Moarefi, I.,Leighton, L.,Lasken, R.,Kuriyan, J. Crystal structure of an archaebacterial DNA polymerase. Structure Fold.Des. 1999 7 1189 1199 1D00 10518213 STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WITH A 5-RESIDUE CD40 PEPTIDE 1999-09-07 2000-03-29 Ye, H.,Park, Y.C.,Kreishman, M.,Kieff, E.,Wu, H. The structural basis for the recognition of diverse receptor sequences by TRAF2. Mol.Cell 1999 4 321 330 1EE4 10745017 CRYSTAL STRUCTURE OF YEAST KARYOPHERIN (IMPORTIN) ALPHA IN A COMPLEX WITH A C-MYC NLS PEPTIDE 2000-01-30 2000-03-29 Conti, E.,Kuriyan, J. Crystallographic analysis of the specific yet versatile recognition of distinct nuclear localization signals by karyopherin alpha. Structure Fold.Des. 2000 8 329 338 1EE5 10745017 YEAST KARYOPHERIN (IMPORTIN) ALPHA IN A COMPLEX WITH A NUCLEOPLASMIN NLS PEPTIDE 2000-01-30 2000-03-29 Conti, E.,Kuriyan, J. Crystallographic analysis of the specific yet versatile recognition of distinct nuclear localization signals by karyopherin alpha. Structure Fold.Des. 2000 8 329 338 1EI9 10781062 CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1 2000-02-24 2000-04-26 Bellizzi III, J.J.,Widom, J.,Kemp, C.,Lu, J.Y.,Das, A.K.,Hofmann, S.L.,Clardy, J. The crystal structure of palmitoyl protein thioesterase 1 and the molecular basis of infantile neuronal ceroid lipofuscinosis. Proc.Natl.Acad.Sci.USA 2000 97 4573 4578 1DTL 10792039 CRYSTAL STRUCTURE OF CALCIUM-SATURATED (3CA2+) CARDIAC TROPONIN C COMPLEXED WITH THE CALCIUM SENSITIZER BEPRIDIL AT 2.15 A RESOLUTION 2000-01-12 2000-05-12 Li, Y.,Love, M.L.,Putkey, J.A.,Cohen, C. Bepridil opens the regulatory N-terminal lobe of cardiac troponin C. Proc.Natl.Acad.Sci.USA 2000 97 5140 5145 1EHI 10801495 D-ALANINE:D-LACTATE LIGASE (LMDDL2) OF VANCOMYCIN-RESISTANT LEUCONOSTOC MESENTEROIDES 2000-02-21 2000-05-23 Kuzin, A.P.,Sun, T.,Jorczak-Baillass, J.,Healy, V.L.,Walsh, C.T.,Knox, J.R. Enzymes of vancomycin resistance: the structure of D-alanine-D-lactate ligase of naturally resistant Leuconostoc mesenteroides. Structure Fold.Des. 2000 8 463 470 1EK1 10747889 CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CIU INHIBITOR 2000-03-06 2000-05-31 Argiriadi, M.A.,Morisseau, C.,Goodrow, M.H.,Dowdy, D.L.,Hammock, B.D.,Christianson, D.W. Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation. J.Biol.Chem. 2000 275 15265 15270 1EK2 10747889 CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CDU INHIBITOR 2000-03-06 2000-05-31 Argiriadi, M.A.,Morisseau, C.,Goodrow, M.H.,Dowdy, D.L.,Hammock, B.D.,Christianson, D.W. Binding of alkylurea inhibitors to epoxide hydrolase implicates active site tyrosines in substrate activation. J.Biol.Chem. 2000 275 15265 15270 1ESG 10882125 RESTRICTION ENDONUCLEASE BAMHI BOUND TO A NON-SPECIFIC DNA. 2000-04-09 2000-05-31 Viadiu, H.,Aggarwal, A.K. Structure of BamHI bound to nonspecific DNA: a model for DNA sliding. Mol.Cell 2000 5 889 895 1ESG 10882125 RESTRICTION ENDONUCLEASE BAMHI BOUND TO A NON-SPECIFIC DNA. 2000-04-09 2000-05-31 Viadiu, H.,Aggarwal, A.K. Structure of BamHI bound to nonspecific DNA: a model for DNA sliding. Mol.Cell 2000 5 889 895 1F6F 10966654 CRYSTAL STRUCTURE OF THE TERNARY COMPLEX BETWEEN OVINE PLACENTAL LACTOGEN AND THE EXTRACELLULAR DOMAIN OF THE RAT PROLACTIN RECEPTOR 2000-06-21 2000-07-04 Elkins, P.A.,Christinger, H.W.,Sandowski, Y.,Sakal, E.,Gertler, A.,de Vos, A.M.,Kossiakoff, A.A. Ternary complex between placental lactogen and the extracellular domain of the prolactin receptor. Nat.Struct.Biol. 2000 7 808 815 1EXW 10801859 CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1 COMPLEXED WITH HEXADECYLSULFONYL FLUORIDE 2000-05-04 2000-08-02 Das, A.K.,Bellizzi III, J.J.,Tandel, S.,Biehl, E.,Clardy, J.,Hofmann, S.L. Structural basis for the insensitivity of a serine enzyme (palmitoyl-protein thioesterase) to phenylmethylsulfonyl fluoride. J.Biol.Chem. 2000 275 23847 23851 1FFY 10446055 INSIGHTS INTO EDITING FROM AN ILE-TRNA SYNTHETASE STRUCTURE WITH TRNA(ILE) AND MUPIROCIN 2000-07-26 2000-08-07 Silvian, L.F.,Wang, J.,Steitz, T.A. Insights into editing from an ile-tRNA synthetase structure with tRNAile and mupirocin. Science 1999 285 1074 1077 1EKQ 10891066 CRYSTAL STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE IN R3 SPACE GROUP 2000-03-09 2000-08-09 Campobasso, N.,Mathews, I.I.,Begley, T.P.,Ealick, S.E. Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry 2000 39 7868 7877 1FG9 10986460 3:1 COMPLEX OF INTERFERON-GAMMA RECEPTOR WITH INTERFERON-GAMMA DIMER 2000-07-28 2000-08-11 Thiel, D.J.,le Du, M.H.,Walter, R.L.,D'Arcy, A.,Chene, C.,Fountoulakis, M.,Garotta, G.,Winkler, F.K.,Ealick, S.E. Observation of an unexpected third receptor molecule in the crystal structure of human interferon-gamma receptor complex. Structure Fold.Des. 2000 8 927 936 1D3H 10673429 HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726 1999-09-29 2000-08-13 Liu, S.,Neidhardt, E.A.,Grossman, T.H.,Ocain, T.,Clardy, J. Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents. Structure Fold.Des. 2000 8 25 33 1D3G 10673429 HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG 1999-09-29 2000-09-13 Liu, S.,Neidhardt, E.A.,Grossman, T.H.,Ocain, T.,Clardy, J. Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents. Structure Fold.Des. 2000 8 25 33 3FAP 10089303 ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP 1999-05-06 2000-09-13 Liang, J.,Choi, J.,Clardy, J. Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution. Acta Crystallogr.,Sect.D 1999 55 736 744 1F5T 10956029 DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL AND DTXR CONSENSUS BINDING SEQUENCE 2000-06-15 2000-09-25 Chen, C.S.,White, A.,Love, J.,Murphy, J.R.,Ringe, D. Methyl groups of thymine bases are important for nucleic acid recognition by DtxR. Biochemistry 2000 39 10397 10407 1EHZ 10943889 The crystal structure of yeast phenylalanine tRNA at 1.93 A resolution 2000-02-23 2000-10-02 Shi, H.,Moore, P.B. The crystal structure of yeast phenylalanine tRNA at 1.93 A resolution: a classic structure revisited RNA 2000 6 1091 1105 1QP9 11024163 STRUCTURE OF HAP1-PC7 COMPLEXED TO THE UAS OF CYC7 1999-06-01 2000-10-09 Lukens, A.K.,King, D.A.,Marmorstein, R. Structure of HAP1-PC7 bound to DNA: implications for DNA recognition and allosteric effects of DNA-binding on transcriptional activation. Nucleic Acids Res. 2000 28 3853 3863 1FYH 11250200 1:1 COMPLEX BETWEEN AN INTERFERON GAMMA SINGLE-CHAIN VARIANT AND ITS RECEPTOR 2000-09-29 2000-10-11 Randal, M.,Kossiakoff, A.A. The structure and activity of a monomeric interferon-gamma:alpha-chain receptor signaling complex. Structure 2001 9 155 163 1D6M 10574789 CRYSTAL STRUCTURE OF E. COLI DNA TOPOISOMERASE III 1999-10-14 2000-10-14 Mondragon, A.,DiGate, R. The structure of Escherichia coli DNA topoisomerase III. Structure Fold.Des. 1999 7 1373 1383 1D7K 10623504 CRYSTAL STRUCTURE OF HUMAN ORNITHINE DECARBOXYLASE AT 2.1 ANGSTROMS RESOLUTION 1999-10-18 2000-10-25 Almrud, J.J.,Oliveira, M.A.,Kern, A.D.,Grishin, N.V.,Phillips, M.A.,Hackert, M.L. Crystal structure of human ornithine decarboxylase at 2.1 A resolution: structural insights to antizyme binding. J.Mol.Biol. 2000 295 7 16 1DFK 11016966 NUCLEOTIDE-FREE SCALLOP MYOSIN S1-NEAR RIGOR STATE 1999-11-19 2000-10-25 Houdusse, A.,Szent-Gyorgyi, A.G.,Cohen, C. Three conformational states of scallop myosin S1. Proc.Natl.Acad.Sci.USA 2000 97 11238 11243 1DFL 11016966 SCALLOP MYOSIN S1 COMPLEXED WITH MGADP:VANADATE-TRANSITION STATE 1999-11-19 2000-10-25 Houdusse, A.,Szent-Gyorgyi, A.G.,Cohen, C. Three conformational states of scallop myosin S1. Proc.Natl.Acad.Sci.USA 2000 97 11238 11243 1FYV 11081518 CRYSTAL STRUCTURE OF THE TIR DOMAIN OF HUMAN TLR1 2000-10-03 2000-11-22 Xu, Y.,Tao, X.,Shen, B.,Horng, T.,Medzhitov, R.,Manley, J.L.,Tong, L. Structural basis for signal transduction by the Toll/interleukin-1 receptor domains. Nature 2000 408 111 115 1FQV 11099048 Insights into scf ubiquitin ligases from the structure of the skp1-skp2 complex 2000-09-06 2000-11-29 Schulman, B.A.,Carrano, A.C.,Jeffrey, P.D.,Bowen, Z.,Kinnucan, E.R.,Finnin, M.S.,Elledge, S.J.,Harper, J.W.,Pagano, M.,Pavletich, N.P. Insights into SCF ubiquitin ligases from the structure of the Skp1-Skp2 complex. Nature 2000 408 381 386 1DQE 10662696 BOMBYX MORI PHEROMONE BINDING PROTEIN 2000-01-04 2001-01-10 Sandler, B.H.,Nikonova, L.,Leal, W.S.,Clardy, J. Sexual attraction in the silkworm moth: structure of the pheromone-binding-protein-bombykol complex. Chem.Biol. 2000 7 143 151 1G66 11134051 ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION 2000-11-03 2001-01-17 Ghosh, D.,Sawicki, M.,Lala, P.,Erman, M.,Pangborn, W.,Eyzaguirre, J.,Gutierrez, R.,Jornvall, H.,Thiel, D.J. Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A. J.Biol.Chem. 2001 276 11159 11166 1HQM 11158566 CRYSTAL STRUCTURE OF THERMUS AQUATICUS CORE RNA POLYMERASE-INCLUDES COMPLETE STRUCTURE WITH SIDE-CHAINS (EXCEPT FOR DISORDERED REGIONS)-FURTHER REFINED FROM ORIGINAL DEPOSITION-CONTAINS ADDITIONAL SEQUENCE INFORMATION 2000-12-18 2001-02-07 Minakhin, L.,Bhagat, S.,Brunning, A.,Campbell, E.A.,Darst, S.A.,Ebright, R.H.,Severinov, K. Bacterial RNA polymerase subunit omega and eukaryotic RNA polymerase subunit RPB6 are sequence, structural, and functional homologs and promote RNA polymerase assembly. Proc.Natl.Acad.Sci.USA 2001 98 892 897 1IJQ 11373616 Crystal Structure of the LDL Receptor YWTD-EGF Domain Pair 2001-04-27 2001-05-23 Jeon, H.,Meng, W.,Takagi, J.,Eck, M.J.,Springer, T.A.,Blacklow, S.C. Implications for familial hypercholesterolemia from the structure of the LDL receptor YWTD-EGF domain pair. Nat.Struct.Biol. 2001 8 499 504 1GA0 11371184 STRUCTURE OF THE E. CLOACAE GC1 BETA-LACTAMASE WITH A CEPHALOSPORIN SULFONE INHIBITOR 2000-11-28 2001-06-06 Crichlow, G.V.,Nukaga, M.,Doppalapudi, V.R.,Buynak, J.D.,Knox, J.R. Inhibition of class C beta-lactamases: structure of a reaction intermediate with a cephem sulfone. Biochemistry 2001 40 6233 6239 1IEC 11371196 CRYSTAL STRUCTURE OF THE CATALYTIC SITE MUTANT (H157A) OF THE HUMAN CYTOMEGALOVIRUS PROTEASE 2001-04-09 2001-06-06 Khayat, R.,Batra, R.,Massariol, M.J.,Lagace, L.,Tong, L. Investigating the role of histidine 157 in the catalytic activity of human cytomegalovirus protease. Biochemistry 2001 40 6344 6351 1I71 11369850 HIGH RESOLUTION CRYSTAL STRUCTURE OF APOLIPOPROTEIN(A) KRINGLE IV TYPE 7: INSIGHTS INTO LIGAND BINDING 2001-03-07 2001-06-13 Ye, Q.,Rahman, M.N.,Koschinsky, M.L.,Jia, Z. High-resolution crystal structure of apolipoprotein(a) kringle IV type 7: insights into ligand binding. Protein Sci. 2001 10 1124 1129 1IH7 11389835 High-Resolution Structure of Apo RB69 DNA Polymerase 2001-04-18 2001-06-13 Franklin, M.C.,Wang, J.,Steitz, T.A. Structure of the Replicating Complex of a Pol alpha Family DNA Polymerase Cell(Cambridge,Mass.) 2001 105 657 667 1F8N 11412104 LIPOXYGENASE-1 (SOYBEAN) AT 100K, NEW REFINEMENT 2000-06-30 2001-07-04 Tomchick, D.R.,Phan, P.,Cymborowski, M.,Minor, W.,Holman, T.R. Structural and functional characterization of second-coordination sphere mutants of soybean lipoxygenase-1. Biochemistry 2001 40 7509 7517 1HU8 11152481 CRYSTAL STRUCTURE OF THE MOUSE P53 CORE DNA-BINDING DOMAIN AT 2.7A RESOLUTION 2001-01-04 2001-07-04 Zhao, K.,Chai, X.,Johnston, K.,Clements, A.,Marmorstein, R. Crystal structure of the mouse p53 core DNA-binding domain at 2.7 A resolution. J.Biol.Chem. 2001 276 12120 12127 1IC2 11438684 DECIPHERING THE DESIGN OF THE TROPOMYOSIN MOLECULE 2001-03-29 2001-07-25 Brown, J.H.,Kim, K.-H.,Jun, G.,Greenfield, N.J.,Dominguez, R.,Volkmann, N.,Hitchcock-DeGregori, S.E.,Cohen, C. Deciphering the design of the tropomyosin molecule Proc.Natl.Acad.Sci.USA 2001 98 8496 8501 1I79 11583147 HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE 2001-03-08 2001-08-22 Tolbert, W.D.,Ekstrom, J.L.,Mathews, I.I.,Secrist III, J.A.,Kapoor, P.,Pegg, A.E.,Ealick, S.E. The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase. Biochemistry 2001 40 9484 9494 1JE5 11481454 Crystal Structure of gp2.5, a Single-Stranded DNA Binding Protein Encoded by Bacteriophage T7 2001-06-15 2001-08-22 Hollis, T.,Stattel, J.M.,Walther, D.S.,Richardson, C.C.,Ellenberger, T. Structure of the gene 2.5 protein, a single-stranded DNA binding protein encoded by bacteriophage T7. Proc.Natl.Acad.Sci.USA 2001 98 9557 9562 1J88 11531339 HUMAN HIGH AFFINITY FC RECEPTOR FC(EPSILON)RI(ALPHA), TETRAGONAL CRYSTAL FORM 1 2001-05-20 2001-08-29 Garman, S.C.,Sechi, S.,Kinet, J.P.,Jardetzky, T.S. The analysis of the human high affinity IgE receptor Fc epsilon Ri alpha from multiple crystal forms. J.Mol.Biol. 2001 311 1049 1062 1J89 11531339 HUMAN HIGH AFFINITY FC RECEPTOR FC(EPSILON)RI(ALPHA), TETRAGONAL CRYSTAL FORM 2 2001-05-20 2001-08-29 Garman, S.C.,Sechi, S.,Kinet, J.P.,Jardetzky, T.S. The analysis of the human high affinity IgE receptor Fc epsilon Ri alpha from multiple crystal forms. J.Mol.Biol. 2001 311 1049 1062 1JF1 11544315 Crystal structure of HLA-A2*0201 in complex with a decameric altered peptide ligand from the MART-1/Melan-A 2001-06-19 2001-09-14 Sliz, P.,Michielin, O.,Cerottini, J.C.,Luescher, I.,Romero, P.,Karplus, M.,Wiley, D.C. Crystal structures of two closely related but antigenically distinct HLA-A2/melanocyte-melanoma tumor-antigen peptide complexes. J.Immunol. 2001 167 3276 3284 1JMA 11511370 CRYSTAL STRUCTURE OF THE HERPES SIMPLEX VIRUS GLYCOPROTEIN D BOUND TO THE CELLULAR RECEPTOR HVEA/HVEM 2001-07-17 2001-09-26 Carfi, A.,Willis, S.H.,Whitbeck, J.C.,Krummenacher, C.,Cohen, G.H.,Eisenberg, R.J.,Wiley, D.C. Herpes simplex virus glycoprotein D bound to the human receptor HveA. Mol.Cell 2001 8 169 179 1JY2 11593005 Crystal Structure of the Central Region of Bovine Fibrinogen (E5 fragment) at 1.4 Angstroms Resolution 2001-09-10 2001-10-17 Madrazo, J.,Brown, J.H.,Litvinovich, S.,Dominguez, R.,Yakovlev, S.,Medved, L.,Cohen, C. Crystal structure of the central region of bovine fibrinogen (E5 fragment) at 1.4-A resolution. Proc.Natl.Acad.Sci.USA 2001 98 11967 11972 1JDS 11489901 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEX WITH PHOSPHATE (SPACE GROUP P21) 2001-06-15 2001-10-26 Appleby, T.C.,Mathews, I.I.,Porcelli, M.,Cacciapuoti, G.,Ealick, S.E. Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem. 2001 276 39232 39242 1JDT 11489901 CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH MTA AND SULFATE ION 2001-06-15 2001-10-26 Appleby, T.C.,Mathews, I.I.,Porcelli, M.,Cacciapuoti, G.,Ealick, S.E. Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem. 2001 276 39232 39242 1JDV 11489901 CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH ADENOSINE AND SULFATE ION 2001-06-15 2001-10-26 Appleby, T.C.,Mathews, I.I.,Porcelli, M.,Cacciapuoti, G.,Ealick, S.E. Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem. 2001 276 39232 39242 1JDZ 11489901 CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE WITH FORMYCIN B AND SULFATE ION 2001-06-15 2001-10-26 Appleby, T.C.,Mathews, I.I.,Porcelli, M.,Cacciapuoti, G.,Ealick, S.E. Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem. 2001 276 39232 39242 1JE0 11489901 CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH PHOSPHATE AND TRIS MOLECULE 2001-06-15 2001-10-26 Appleby, T.C.,Mathews, I.I.,Porcelli, M.,Cacciapuoti, G.,Ealick, S.E. Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem. 2001 276 39232 39242 1JE1 11489901 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEX WITH GUANOSINE AND SULFATE 2001-06-15 2001-10-26 Appleby, T.C.,Mathews, I.I.,Porcelli, M.,Cacciapuoti, G.,Ealick, S.E. Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem. 2001 276 39232 39242 1JP7 11489901 Crystal Structure of 5'-deoxy-5'-methylthioadenosine phosphorylase 2001-08-01 2001-10-26 Appleby, T.C.,Mathews, I.I.,Porcelli, M.,Cacciapuoti, G.,Ealick, S.E. Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem. 2001 276 39232 39242 1JPV 11489901 Crystal Structure of 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with SO4 2001-08-03 2001-10-26 Appleby, T.C.,Mathews, I.I.,Porcelli, M.,Cacciapuoti, G.,Ealick, S.E. Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem. 2001 276 39232 39242 1K4C 11689936 Potassium Channel KcsA-Fab complex in high concentration of K+ 2001-10-07 2001-11-14 Zhou, Y.,Morais-Cabral, J.H.,Kaufman, A.,MacKinnon, R. Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0 A resolution. Nature 2001 414 43 48 1JKJ 11781092 E. coli SCS 2001-07-12 2002-01-30 Fraser, M.E.,Joyce, M.A.,Ryan, D.G.,Wolodko, W.T. Two glutamate residues, Glu 208 alpha and Glu 197 beta, are crucial for phosphorylation and dephosphorylation of the active-site histidine residue in succinyl-CoA synthetase. Biochemistry 2002 41 537 546 1J7X 11796109 CRYSTAL STRUCTURE OF A FUNCTIONAL UNIT OF INTERPHOTORECEPTOR RETINOID-BINDING PROTEIN (IRBP) 2001-05-19 2002-02-20 Loew, A.,Gonzalez-Fernandez, F. Crystal structure of the functional unit of interphotoreceptor retinoid binding protein. Structure 2002 10 43 49 1JKR 11847127 Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations 2001-07-13 2002-02-22 Chiu, T.K.,Sohn, C.,Dickerson, R.E.,Johnson, R.C. Testing water-mediated DNA recognition by the Hin recombinase. EMBO J. 2002 21 801 814 1I51 11257230 CRYSTAL STRUCTURE OF CASPASE-7 COMPLEXED WITH XIAP 2001-02-23 2002-02-23 Chai, J.,Shiozaki, E.,Srinivasula, S.M.,Wu, Q.,Datta, P.,Alnemri, E.S.,Shi, Y.,Dataa, P. Structural basis of caspase-7 inhibition by XIAP. Cell(Cambridge,Mass.) 2001 104 769 780 1JXH 11839308 4-Amino-5-hydroxymethyl-2-methylpyrimidine Phosphate Kinase from Salmonella typhimurium 2001-09-07 2002-02-27 Cheng, G.,Bennett, E.M.,Begley, T.P.,Ealick, S.E. Crystal structure of 4-amino-5-hydroxymethyl-2-methylpyrimidine phosphate kinase from Salmonella typhimurium at 2.3 A resolution. Structure 2002 10 225 235 1JXI 11839308 4-Amino-5-hydroxymethyl-2-methylpyrimidine Phosphate Kinase from Salmonella typhimurium complexed with 4-Amino-5-hydroxymethyl-2-methylpyrimidine 2001-09-07 2002-02-27 Cheng, G.,Bennett, E.M.,Begley, T.P.,Ealick, S.E. Crystal structure of 4-amino-5-hydroxymethyl-2-methylpyrimidine phosphate kinase from Salmonella typhimurium at 2.3 A resolution. Structure 2002 10 225 235 1KSW 11841936 Structure of Human c-Src Tyrosine Kinase (Thr338Gly Mutant) in Complex with N6-benzyl ADP 2002-01-14 2002-02-27 Witucki, L.A.,Huang, X.,Shah, K.,Liu, Y.,Kyin, S.,Eck, M.J.,Shokat, K.M. Mutant tyrosine kinases with unnatural nucleotide specificity retain the structure and phospho-acceptor specificity of the wild-type enzyme. Chem.Biol. 2002 9 25 33 1KTP 12460674 Crystal structure of c-phycocyanin of synechococcus vulcanus at 1.6 angstroms 2002-01-17 2002-03-06 Adir, N.,Vainer, R.,Lerner, N. Refined structure of c-phycocyanin from the cyanobacterium Synechococcus vulcanus at 1.6 A: insights into the role of solvent molecules in thermal stability and co-factor structure Biochim.Biophys.Acta 2002 1556 168 174 1L0B 11877378 Crystal Structure of rat Brca1 tandem-BRCT region 2002-02-08 2002-03-20 Joo, W.S.,Jeffrey, P.D.,Cantor, S.B.,Finnin, M.S.,Livingston, D.M.,Pavletich, N.P. Structure of the 53BP1 BRCT region bound to p53 and its comparison to the Brca1 BRCT structure. Genes Dev. 2002 16 583 593 1KUX 11902838 X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition 2002-01-22 2002-03-22 Wolf, E.,De Angelis, J.,Khalil, E.M.,Cole, P.A.,Burley, S.K. X-ray crystallographic studies of serotonin N-acetyltransferase catalysis and inhibition. J.Mol.Biol. 2002 317 215 224 1JMK 12005429 Structural Basis for the Cyclization of the Lipopeptide Antibiotic Surfactin by the Thioesterase Domain SrfTE 2001-07-18 2002-03-27 Bruner, S.D.,Weber, T.,Kohli, R.M.,Schwarzer, D.,Marahiel, M.A.,Walsh, C.T.,Stubbs, M.T. Structural basis for the cyclization of the lipopeptide antibiotic surfactin by the thioesterase domain SrfTE. Structure 2002 10 301 310 1LDJ 11961546 Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF Ubiquitin Ligase Complex 2002-04-08 2002-05-08 Zheng, N.,Schulman, B.A.,Song, L.,Miller, J.J.,Jeffrey, P.D.,Wang, P.,Chu, C.,Koepp, D.M.,Elledge, S.J.,Pagano, M.,Conaway, R.C.,Conaway, J.W.,Harper, J.W.,Pavletich, N.P. Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF ubiquitin ligase complex. Nature 2002 416 703 709 1LDK 11961546 Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF Ubiquitin Ligase Complex 2002-04-08 2002-05-08 Zheng, N.,Schulman, B.A.,Song, L.,Miller, J.J.,Jeffrey, P.D.,Wang, P.,Chu, C.,Koepp, D.M.,Elledge, S.J.,Pagano, M.,Conaway, R.C.,Conaway, J.W.,Harper, J.W.,Pavletich, N.P. Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF ubiquitin ligase complex. Nature 2002 416 703 709 1KQL 12032291 Crystal structure of the C-terminal region of striated muscle alpha-tropomyosin at 2.7 angstrom resolution 2002-01-07 2002-05-29 Li, Y.,Mui, S.,Brown, J.H.,Strand, J.,Reshetnikova, L.,Tobacman, L.S.,Cohen, C. The crystal structure of the C-terminal fragment of striated-muscle alpha-tropomyosin reveals a key troponin T recognition site. Proc.Natl.Acad.Sci.USA 2002 99 7378 7383 1KTK 12015151 Complex of Streptococcal pyrogenic enterotoxin C (SpeC) with a human T cell receptor beta chain (Vbeta2.1) 2002-01-16 2002-06-07 Sundberg, E.J.,Li, H.,Llera, A.S.,McCormick, J.K.,Tormo, J.,Schlievert, P.M.,Karjalainen, K.,Mariuzza, R.A. Structures of two streptococcal superantigens bound to TCR beta chains reveal diversity in the architecture of T cell signaling complexes. Structure 2002 10 687 699 1L8B 12054859 Cocrystal Structure of the Messenger RNA 5' Cap-binding Protein (eIF4E) bound to 7-methylGpppG 2002-03-19 2002-06-12 Niedzwiecka, A.,Marcotrigiano, J.,Stepinski, J.,Jankowska-Anyszka, M.,Wyslouch-Cieszynska, A.,Dadlez, M.,Gingras, A.C.,Mak, P.,Darzynkiewicz, E.,Sonenberg, N.,Burley, S.K.,Stolarski, R. Biophysical studies of eIF4E cap-binding protein: recognition of mRNA 5' cap structure and synthetic fragments of eIF4G and 4E-BP1 proteins. J.Mol.Biol. 2002 319 615 635 1L1T 12055620 MutM (Fpg) Bound to Abasic-Site Containing DNA 2002-02-19 2002-06-14 Fromme, J.C.,Verdine, G.L. Structural insights into lesion recognition and repair by the bacterial 8-oxoguanine DNA glycosylase MutM. Nat.Struct.Biol. 2002 9 544 552 1L1Z 12055620 MutM (Fpg) Covalent-DNA Intermediate 2002-02-20 2002-06-14 Fromme, J.C.,Verdine, G.L. Structural insights into lesion recognition and repair by the bacterial 8-oxoguanine DNA glycosylase MutM. Nat.Struct.Biol. 2002 9 544 552 1L2B 12055620 MutM (Fpg) DNA End-Product Structure 2002-02-20 2002-06-14 Fromme, J.C.,Verdine, G.L. Structural insights into lesion recognition and repair by the bacterial 8-oxoguanine DNA glycosylase MutM. Nat.Struct.Biol. 2002 9 544 552 1L2C 12055620 MutM (Fpg)-DNA Estranged Thymine Mismatch Recognition Complex 2002-02-20 2002-06-14 Fromme, J.C.,Verdine, G.L. Structural insights into lesion recognition and repair by the bacterial 8-oxoguanine DNA glycosylase MutM. Nat.Struct.Biol. 2002 9 544 552 1L2D 12055620 MutM (Fpg)-DNA Estranged Guanine Mismatch Recognition Complex 2002-02-20 2002-06-14 Fromme, J.C.,Verdine, G.L. Structural insights into lesion recognition and repair by the bacterial 8-oxoguanine DNA glycosylase MutM. Nat.Struct.Biol. 2002 9 544 552 1MIU 12228710 Structure of a BRCA2-DSS1 complex 2002-08-23 2002-09-25 Yang, H.,Jeffrey, P.D.,Miller, J.,Kinnucan, E.,Sun, Y.,Thoma, N.H.,Zheng, N.,Chen, P.L.,Lee, W.H.,Pavletich, N.P. BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA structure Science 2002 297 1837 1848 1MJE 12228710 STRUCTURE OF A BRCA2-DSS1-SSDNA COMPLEX 2002-08-27 2002-09-27 Yang, H.,Jeffrey, P.D.,Miller, J.,Kinnucan, E.,Sun, Y.,Thoma, N.H.,Zheng, N.,Chen, P.L.,Lee, W.H.,Pavletich, N.P. BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA structure. Science 2002 297 1837 1848 1KK7 12297624 SCALLOP MYOSIN IN THE NEAR RIGOR CONFORMATION 2001-12-06 2002-10-09 Himmel, D.M.,Gourinath, S.,Reshetnikova, L.,Shen, Y.,Szent-Gyorgyi, A.G.,Cohen, C. Crystallographic findings on the internally uncoupled and near-rigor states of myosin: further insights into the mechanics of the motor. Proc.Natl.Acad.Sci.USA 2002 99 12645 12650 1NEY 12509510 Triosephosphate Isomerase in Complex with DHAP 2002-12-12 2003-01-07 Jogl, G.,Rozovsky, S.,McDermott, A.E.,Tong, L. Optimal alignment for enzymatic proton transfer: Structure of the Michaelis complex of triosephosphate isomerase at 1.2-A resolution. Proc.Natl.Acad.Sci.USA 2003 100 50 55 1NF0 12509510 Triosephosphate Isomerase in Complex with DHAP 2002-12-12 2003-01-07 Jogl, G.,Rozovsky, S.,McDermott, A.E.,Tong, L. Optimal alignment for enzymatic proton transfer: Structure of the Michaelis complex of triosephosphate isomerase at 1.2-A resolution Proc.Natl.Acad.Sci.USA 2003 100 50 55 1M6K 12493831 Structure of the OXA-1 class D beta-lactamase 2002-07-16 2003-01-14 Sun, T.,Nukaga, M.,Mayama, K.,Braswell, E.H.,Knox, J.R. Comparison of beta-lactamases of classes A and D: 1.5A crystallographic structure of the class D OXA-1 oxacillinase PROTEIN SCI. 2003 12 82 91 1M6K 12493831 Structure of the OXA-1 class D beta-lactamase 2002-07-16 2003-01-14 Sun, T.,Nukaga, M.,Mayama, K.,Braswell, E.H.,Knox, J.R. Comparison of beta-lactamases of classes A and D: 1.5A crystallographic structure of the class D OXA-1 oxacillinase PROTEIN SCI. 2003 12 82 91 1LWV 12592398 Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-aminoguanine 2002-06-03 2003-02-25 Fromme, J.C.,Bruner, S.D.,Yang, W.,Karplus, M.,Verdine, G.L. Product-Assisted Catalysis in Base Excision DNA Repair Nat.Struct.Biol. 2003 10 204 211 1LWW 12592398 Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-bromoguanine 2002-06-03 2003-02-25 Fromme, J.C.,Bruner, S.D.,Yang, W.,Karplus, M.,Verdine, G.L. Product-Assisted Catalysis in Base Excision DNA Repair Nat.Struct.Biol. 2003 10 204 211 1LWY 12592398 hOgg1 Borohydride-Trapped Intermediate without 8-oxoguanine 2002-06-03 2003-02-25 Fromme, J.C.,Bruner, S.D.,Yang, W.,Karplus, M.,Verdine, G.L. Product-Assisted Catalysis in Base Excision DNA Repair Nat.Struct.Biol. 2003 10 204 211 1NI2 12429733 Structure of the active FERM domain of Ezrin 2002-12-20 2003-02-25 Smith, W.J.,Nassar, N.,Bretscher, A.P.,Cerione, R.A.,Karplus, P.A. Structure of the Active N-terminal Domain of Ezrin. CONFORMATIONAL AND MOBILITY CHANGES IDENTIFY KEYSTONE INTERACTIONS. J.Biol.Chem. 2003 278 4949 4956 1MKD 12387865 crystal structure of PDE4D catalytic domain and zardaverine complex 2002-08-29 2003-03-01 Lee, M.E.,Markowitz, J.,Lee, J.-O.,Lee, H. Crystal structure of phosphodiesterase 4D and inhibitor complex FEBS LETT. 2002 530 53 58 1M9B 12596270 Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with gamma-glutamyl[S-(2-iodobenzyl)cysteinyl]glycine 2002-07-28 2003-03-04 Cardoso, R.M.F.,Daniels, D.S.,Bruns, C.M.,Tainer, J.A. Characterization of the electrophile binding site and substrate binding mode of the 26-kDa glutathione S-transferase from Schistosoma japonicum PROTEINS: STRUCT.,FUNCT.,GENET 2003 51 137 146 1N39 12578369 Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase 2002-10-25 2003-03-04 Norman, D.P.,Chung, S.J.,Verdine, G.L. Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase Biochemistry 2003 42 1564 1572 1N3A 12578369 Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase 2002-10-25 2003-03-04 Norman, D.P.,Chung, S.J.,Verdine, G.L. Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase Biochemistry 2003 42 1564 1572 1N3C 12578369 Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase 2002-10-25 2003-03-04 Norman, D.P.,Chung, S.J.,Verdine, G.L. Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase Biochemistry 2003 42 1564 1572 1NJ2 12578991 Crystal structure of Prolyl-tRNA Synthetase from Methanothermobacter thermautotrophicus 2002-12-30 2003-03-04 Kamtekar, S.,Kennedy, W.D.,Wang, J.,Stathopoulos, C.,Soll, D.,Steitz, T.A. The structural basis of cysteine aminoacylation of tRNAPro by prolyl-tRNA synthetases Proc.Natl.Acad.Sci.USA 2003 100 1673 1678 1NJ6 12578991 Crystal structure of Prolyl-tRNA Synthetase from Methanothermobacter thermautotrophicus bound to alanine sulfamoyl adenylate 2002-12-30 2003-03-04 Kamtekar, S.,Kennedy, W.D.,Wang, J.,Stathopoulos, C.,Soll, D.,Steitz, T.A. The structural basis of cysteine aminoacylation of tRNAPro by prolyl-tRNA synthetases Proc.Natl.Acad.Sci.USA 2003 100 1673 1678 1MSV 12600205 The S68A S-adenosylmethionine decarboxylase proenzyme processing mutant. 2002-09-19 2003-03-11 Tolbert, W.D.,Zhang, Y.,Cottet, S.E.,Bennett, E.M.,Ekstrom, J.L.,Pegg, A.E.,Ealick, S.E. Mechanism of Human S-Adenosylmethionine Decarboxylase Proenzyme Processing as Revealed by the Structure of the S68A Mutant. Biochemistry 2003 42 2386 2395 1NY7 10603314 COWPEA MOSAIC VIRUS (CPMV) 2003-02-11 2003-03-18 Lin, T.,Chen, Z.,Usha, R.,Stauffacher, C.V.,Dai, J.-B.,Schmidt, T.,Johnson, J.E. The Refined Crystal Structure of Cowpea Mosaic Virus at 2.8A Resolution Virology 1999 265 20 34 1N2M 12623016 The S53A Proenzyme Structure of Methanococcus jannaschii. 2002-10-23 2003-03-25 Tolbert, W.D.,Graham, D.E.,White, R.H.,Ealick, S.E. Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii: Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms Structure 2003 11 285 294 1NW9 12620238 STRUCTURE OF CASPASE-9 IN AN INHIBITORY COMPLEX WITH XIAP-BIR3 2003-02-05 2003-03-25 Shiozaki, E.N.,Chai, J.,Rigotti, D.J.,Riedl, S.J.,Li, P.,Srinivasula, S.M.,Alnemri, E.S.,Fairman, R.,Shi, Y. Mechanism of XIAP-Mediated Inhibition of Caspase-9 Mol.Cell 2003 11 519 527 1OTS 12649487 Structure of the Escherichia coli ClC Chloride channel and Fab Complex 2003-03-22 2003-04-15 Dutzler, R.,Campbell, E.B.,MacKinnon, R. Gating the Selectivity Filter in ClC Chloride Channels Science 2003 300 108 112 1ORQ 12721618 X-ray structure of a voltage-dependent potassium channel in complex with an Fab 2003-03-14 2003-05-06 Jiang, Y.,Lee, A.,Chen, J.,Ruta, V.,Cadene, M.,Chait, B.T.,MacKinnon, R. X-ray structure of a voltage-dependent K+ channel Nature 2003 423 33 41 1ORS 12721618 X-ray structure of the KvAP potassium channel voltage sensor in complex with an Fab 2003-03-14 2003-05-06 Jiang, Y.,Lee, A.,Chen, J.,Ruta, V.,Cadene, M.,Chait, B.T.,MacKinnon, R. X-ray structure of a voltage-dependent K+ channel Nature 2003 423 33 41 1JCN BINARY COMPLEX OF HUMAN TYPE-I INOSINE MONOPHOSPHATE DEHYDROGENASE WITH 6-CL-IMP 2001-06-11 2003-06-17 Risal, D.,Strickler, M.D.,Goldstein, B.M. Crystal Structure of the Human Type I Inosine Monophosphate Dehydrogenase and Implications for Isoform Specificity To be Published 0 0 0 0 1JZN 15049685 crystal structure of a galactose-specific C-type lectin 2001-09-16 2003-07-01 Walker, J.R.,Nagar, B.,Young, N.M.,Hirama, T.,Rini, J.M. X-ray Crystal Structure of a Galactose-Specific C-Type Lectin Possessing a Novel Decameric Quaternary Structure. Biochemistry 2004 43 3783 3792 1MUQ 15049685 X-ray Crystal Structure of Rattlesnake Venom Complexed With Thiodigalactoside 2002-09-24 2003-07-01 Walker, J.R.,Nagar, B.,Young, N.M.,Hirama, T.,Rini, J.M. X-ray Crystal Structure of a Galactose-Specific C-Type Lectin Possessing a Novel Decameric Quaternary Structure. Biochemistry 2004 43 3783 3792 1ORN 12840008 Structure of a Trapped Endonuclease III-DNA Covalent Intermediate: Estranged-Guanine Complex 2003-03-14 2003-07-15 Fromme, J.C.,Verdine, G.L. Structure of a Trapped Endonuclease III-DNA Covalent Intermediate Embo J. 2003 22 3461 3471 1ORP 12840008 Structure of a Trapped Endonuclease III-DNA Covalent Intermediate: Estranged-Adenine Complex 2003-03-14 2003-07-15 Fromme, J.C.,Verdine, G.L. Structure of a Trapped Endonuclease III-DNA Covalent Intermediate Embo J. 2003 22 3461 3471 1J36 12633854 Crystal Structure of Drosophila AnCE 2003-01-20 2003-07-20 Kim, H.M.,Shin, D.R.,Yoo, O.J.,Lee, H.,Lee, J.-O. Crystal structure of Drosophila angiotensin I-converting enzyme bound to captopril and lisinopril Febs Lett. 2003 538 65 70 1J37 12633854 Crystal Structure of Drosophila AnCE 2003-01-20 2003-07-20 Kim, H.M.,Shin, D.R.,Yoo, O.J.,Lee, H.,Lee, J.-O. Crystal structure of Drosophila angiotensin I-converting enzyme bound to captopril and lisinopril Febs Lett. 2003 538 65 70 1J38 12633854 Crystal Structure of Drosophila AnCE 2003-01-20 2003-07-20 Kim, H.M.,Shin, D.R.,Yoo, O.J.,Lee, H.,Lee, J.-O. Crystal structure of Drosophila angiotensin I-converting enzyme bound to captopril and lisinopril Febs Lett. 2003 538 65 70 1NKN 12867988 VISUALIZING AN UNSTABLE COILED COIL: THE CRYSTAL STRUCTURE OF AN N-TERMINAL SEGMENT OF THE SCALLOP MYOSIN ROD 2003-01-03 2003-07-22 Li, Y.,Brown, J.H.,Reshetnikova, L.,Blazsek, A.,Farkas, L.,Nyitray, L.,Cohen, C. Visualization of an unstable coiled coil from the scallop myosin rod Nature 2003 424 341 345 1OKE 12759475 Crystal structure of the dengue 2 virus envelope protein in complex with n-octyl-beta-D-glucoside 2003-07-22 2003-07-24 Modis, Y.,Ogata, S.,Clements, D.,Harrison, S.C. A Ligand-Binding Pocket in the Dengue Virus Envelope Glycoprotein. Proc.Natl.Acad.Sci.USA 2003 100 6986 0 1OX9 12887894 Crystal structure of SspB-ssrA complex 2003-04-01 2003-08-26 Song, H.K.,Eck, M.J. Structural basis of degradation signal recognition by SspB, a specificity-enhancing factor for the ClpXP proteolytic machine Mol.Cell 2003 12 75 86 1PJA 12855696 The crystal structure of palmitoyl protein thioesterase-2 reveals the basis for divergent substrate specificities of the two lysosomal thioesterases (PPT1 and PPT2) 2003-06-02 2003-09-02 Calero, G.,Gupta, P.,Nonato, M.C.,Tandel, S.,Biehl, E.R.,Hofmann, S.L.,Clardy, J. The crystal structure of palmitoyl protein thioesterase-2 (PPT2) reveals the basis for divergent substrate specificities of the two lysosomal thioesterases, PPT1 and PPT2. J.Biol.Chem. 2003 278 37957 37964 1PU9 14536085 Crystal Structure of Tetrahymena GCN5 with Bound Coenzyme A and a 19-residue Histone H3 Peptide 2003-06-24 2003-09-23 Clements, A.,Poux, A.N.,Lo, W.S.,Pillus, L.,Berger, S.L.,Marmorstein, R. Structural basis for histone and phospho-histone binding by the GCN5 histone acetyltransferase Mol.Cell 2003 12 461 473 1PUA 14536085 Crystal Structure of Tetrahymena GCN5 with Bound Coenzyme A and a Phosphorylated, 19-residue Histone H3 peptide 2003-06-24 2003-09-23 Clements, A.,Poux, A.N.,Lo, W.S.,Pillus, L.,Berger, S.L.,Marmorstein, R. Structural basis for histone and phospho-histone binding by the GCN5 histone acetyltransferase Mol.Cell 2003 12 461 473 1PU6 14517230 Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII) 2003-06-24 2003-10-07 Eichman, B.F.,O'Rourke, E.J.,Radicella, J.P.,Ellenberger, T. Crystal structures of 3-methyladenine DNA glycosylase MagIII and the recognition of alkylated bases Embo J. 2003 22 4898 4909 1PZD 14527408 Structural Identification of a conserved appendage domain in the carboxyl-terminus of the COPI gamma-subunit. 2003-07-10 2003-10-14 Hoffman, G.R.,Rahl, P.B.,Collins, R.N.,Cerione, R.A. Conserved Structural Motifs in Intracellular Trafficking Pathways. Structure of the gammaCOP Appendage Domain. Mol.Cell 2003 12 615 625 1QVR 14567920 Crystal Structure Analysis of ClpB 2003-08-28 2003-10-21 Lee, S.,Sowa, M.E.,Watanabe, Y.,Sigler, P.B.,Chiu, W.,Yoshida, M.,Tsai, F.T.F. The Structure of ClpB: A Molecular Chaperone that Rescues Proteins from an Aggregated State Cell(Cambridge,Mass.) 2003 115 229 240 1P2Y 14556625 CRYSTAL STRUCTURE OF CYTOCHROME P450CAM IN COMPLEX WITH (S)-(-)-NICOTINE 2003-04-16 2003-10-28 Strickler, M.,Goldstein, B.M.,Maxfield, K.,Shireman, L.,Kim, G.,Matteson, D.,Jones, J.P. Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger). Biochemistry 2003 42 11943 11950 1Q4Q 14517550 Crystal structure of a DIAP1-Dronc complex 2003-08-04 2003-11-04 Chai, J.,Yan, N.,Huh, J.R.,Wu, J.-W.,Li, W.,Hay, B.A.,Shi, Y. Molecular mechanism of Reaper-Grim-Hid-mediated suppression of DIAP1-dependent Dronc ubiquitination Nat.Struct.Biol. 2003 10 892 898 1PGL 14517057 BEAN POD MOTTLE VIRUS (BPMV), MIDDLE COMPONENT 2003-05-28 2003-11-18 Lin, T.,Cavarelli, J.,Johnson, J.E. Evidence for assembly-dependent folding of protein and RNA in an icosahedral virus. Virology 2003 314 26 33 1PGW 14517057 BEAN POD MOTTLE VIRUS (BPMV), TOP COMPONENT 2003-05-28 2003-11-18 Lin, T.,Cavarelli, J.,Johnson, J.E. Evidence for assembly-dependent folding of protein and RNA in an icosahedral virus. Virology 2003 314 26 33 1PK7 12937174 Crystal Structure of E. coli purine nucleoside phosphorylase complexed with adenosine and sulfate/phosphate 2003-06-05 2003-11-25 Bennett, E.M.,Li, C.,Allan, P.W.,Parker, W.B.,Ealick, S.E. Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase. J.Biol.Chem. 2003 278 47110 47118 1PK9 12937174 Crystal Structure of E. coli purine nucleoside phosphorylase complexed with 2-fluoroadenosine and sulfate/phosphate 2003-06-05 2003-11-25 Bennett, E.M.,Li, C.,Allan, P.W.,Parker, W.B.,Ealick, S.E. Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase. J.Biol.Chem. 2003 278 47110 47118 1PKE 12937174 Crystal Structure of E. coli purine nucleoside phosphorylase complexed with 2-fluoro-2'-deoxyadenosine and sulfate/phosphate 2003-06-05 2003-11-25 Bennett, E.M.,Li, C.,Allan, P.W.,Parker, W.B.,Ealick, S.E. Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase. J.Biol.Chem. 2003 278 47110 47118 1PR4 12937174 Escherichia coli Purine Nucleoside Phosphorylase Complexed with 9-beta-D-ribofuranosyl-6-methylthiopurine and Phosphate/Sulfate 2003-06-19 2003-11-25 Bennett, E.M.,Li, C.,Allan, P.W.,Parker, W.B.,Ealick, S.E. Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase. J.Biol.Chem. 2003 278 47110 47118 1PR6 12937174 Escherichia coli Purine Nucleoside Phosphorylase Complexed with 9-beta-D-xylofuranosyladenine and Phosphate/Sulfate 2003-06-19 2003-11-25 Bennett, E.M.,Li, C.,Allan, P.W.,Parker, W.B.,Ealick, S.E. Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase. J.Biol.Chem. 2003 278 47110 47118 1PW7 12937174 Crystal Structure of E. coli purine nucleoside phosphorylase complexed with 9-beta-D-arabinofuranosyladenine and sulfate/phosphate 2003-06-30 2003-11-25 Bennett, E.M.,Li, C.,Allan, P.W.,Parker, W.B.,Ealick, S.E. Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase. J.Biol.Chem. 2003 278 47110 47118 1R3K 14583193 potassium channel KcsA-Fab complex in low concentration of Tl+ 2003-10-02 2003-11-25 Zhou, Y.,MacKinnon, R. The occupancy of ions in the K+ selectivity filter: Charge balance and coupling of ion binding to a protein conformational change underlie high conduction rates J.Mol.Biol. 2003 333 965 975 1ONG 14609325 SHV-1 beta-lactamase with a penem inhibitor 2003-02-27 2003-12-09 Nukaga, M.,Abe, T.,Venkatesan, A.M.,Mansour, T.S.,Bonomo, R.A.,Knox, J.R. Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate Biochemistry 2003 42 13152 13159 1ONH 14609325 GC1 beta-lactamase with a penem inhibitor 2003-02-27 2003-12-09 Nukaga, M.,Abe, T.,Venkatesan, A.M.,Mansour, T.S.,Bonomo, R.A.,Knox, J.R. Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate Biochemistry 2003 42 13152 13159 1QVI 14656445 Crystal structure of scallop myosin S1 in the pre-power stroke state to 2.6 Angstrom resolution: flexibility and function in the head 2003-08-27 2003-12-16 Gourinath, S.,Himmel, D.M.,Brown, J.H.,Reshetnikova, L.,Szent-Gyorgyi, A.G.,Cohen, C. Crystal structure of scallop Myosin s1 in the pre-power stroke state to 2.6 a resolution: flexibility and function in the head. Structure 2003 11 1621 1627 1RFQ 15099571 Actin Crystal Dynamics: Structural Implications for F-actin Nucleation, Polymerization and Branching Mediated by the Anti-parallel Dimer 2003-11-10 2003-12-16 Reutzel, R.,Yoshioka, C.,Govindasamy, L.,Yarmola, E.G.,Agbandje-McKenna, M.,Bubb, M.R.,McKenna, R. Actin crystal dynamics: structural implications for F-actin nucleation, polymerization, and branching mediated by the anti-parallel dimer. J.Struct.Biol. 2004 146 291 301 1NF7 Ternary complex of the human type II Inosine Monophosphate Dedhydrogenase with Ribavirin Monophosphate and C2-Mycophenolic Adenine Dinucleotide 2002-12-13 2004-01-27 Risal, D.,Strickler, M.D.,Goldstein, B.M. Crystal Structure of Human Inosine Monophosphate Dehydrogenase type II complexed with the MPA/NAD analog C2-MAD To be Published 0 0 0 0 1NFB Ternary complex of the human type II Inosine Monophosphate Dedhydrogenase with 6Cl-IMP and NAD 2002-12-13 2004-01-27 Risal, D.,Strickler, M.D.,Goldstein, B.M. The Conformation of NAD Bound to Human Inosine Monophosphate Dehydrogenase Type II To be Published 0 0 0 0 1M3Q 15610848 Crystal Structure of hogg1 D268E Mutant with Base-Excised DNA and 8-aminoguanine 2002-06-28 2004-02-17 Chung, S.J.,Verdine, G.L. Structures of End Products Resulting from Lesion Processing by a DNA Glycosylase/Lyase Chem.Biol. 2004 11 1643 1649 1OTX 14700625 Purine Nucleoside Phosphorylase M64V mutant 2003-03-23 2004-02-17 Bennett, E.M.,Anand, R.,Allan, P.W.,Hassan, A.E.,Hong, J.S.,Levasseur, D.N.,McPherson, D.T.,Parker, W.B.,Secrist, J.A.,Sorscher, E.J.,Townes, T.M.,Waud, W.R.,Ealick, S.E. Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system. Chem.Biol. 2003 10 1173 1181 1OHF 14972547 The refined structure of Nudaurelia capensis omega virus 2003-05-26 2004-02-26 Helgstrand, C.,Munshi, S.,Johnson, J.E.,Liljas, L. The Refined Structure of Nudaurelia Capensis Omega Virus Reveals Control Elements for a T = 4 Capsid Maturation Virology 2004 318 192 0 1R0S 15016363 Crystal structure of ADP-ribosyl cyclase Glu179Ala mutant 2003-09-22 2004-03-09 Love, M.L.,Szebenyi, D.M.,Kriksunov, I.A.,Thiel, D.J.,Munshi, C.,Graeff, R.,Lee, H.C.,Hao, Q. ADP-ribosyl cyclase; crystal structures reveal a covalent intermediate. Structure 2004 12 477 486 1R12 15016363 Native Aplysia ADP ribosyl cyclase 2003-09-23 2004-03-09 Love, M.L.,Szebenyi, D.M.,Kriksunov, I.A.,Thiel, D.J.,Munshi, C.,Graeff, R.,Lee, H.C.,Hao, Q. ADP-ribosyl cyclase; crystal structures reveal a covalent intermediate. Structure 2004 12 477 486 1R15 15016363 Aplysia ADP ribosyl cyclase with bound nicotinamide and R5P 2003-09-23 2004-03-09 Love, M.L.,Szebenyi, D.M.,Kriksunov, I.A.,Thiel, D.J.,Munshi, C.,Graeff, R.,Lee, H.C.,Hao, Q. ADP-ribosyl cyclase; crystal structures reveal a covalent intermediate. Structure 2004 12 477 486 1R16 15016363 Aplysia ADP ribosyl cyclase with bound pyridylcarbinol and R5P 2003-09-23 2004-03-09 Love, M.L.,Szebenyi, D.M.,Kriksunov, I.A.,Thiel, D.J.,Munshi, C.,Graeff, R.,Lee, H.C.,Hao, Q. ADP-ribosyl cyclase; crystal structures reveal a covalent intermediate. Structure 2004 12 477 486 1UX5 15006353 Crystal Structures of a Formin Homology-2 domain reveal a flexibly tethered dimer architecture 2004-02-19 2004-03-11 Xu, Y.,Moseley, J.B.,Sagot, I.,Poy, F.,Pellman, D.,Goode, B.L.,Eck, M.J. Crystal Structures of a Formin Homology-2 Domain Reveal a Tethered Dimer Architecture Cell(Cambridge,Mass.) 2004 116 711 0 1S77 15016374 T7 RNAP product pyrophosphate elongation complex 2004-01-29 2004-03-23 Yin, Y.W.,Steitz, T.A. The structural mechanism of translocation and helicase activity in T7 RNA polymerase. Cell(Cambridge,Mass.) 2004 116 393 404 1RGZ 14660590 Enterobacter cloacae GC1 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime 2003-11-13 2004-04-06 Nukaga, M.,Kumar, S.,Nukaga, K.,Pratt, R.F.,Knox, J.R. Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes. J.Biol.Chem. 2004 279 9344 9352 1M3H 15610848 Crystal Structure of Hogg1 D268E Mutant with Product Oligonucleotide 2002-06-27 2004-04-20 Chung, S.J.,Verdine, G.L. Structures of End Products Resulting from Lesion Processing by a DNA Glycosylase/Lyase Chem.Biol. 2004 11 1643 1649 1SDZ 15107838 Crystal structure of DIAP1 BIR1 bound to a Reaper peptide 2004-02-15 2004-04-27 Yan, N.,Wu, J.W.,Chai, J.,Li, W.,Shi, Y. Molecular mechanisms of DrICE inhibition by DIAP1 and removal of inhibition by Reaper, Hid and Grim. Nat.Struct.Mol.Biol. 2004 11 420 428 1SE0 15107838 Crystal structure of DIAP1 BIR1 bound to a Grim peptide 2004-02-15 2004-04-27 Yan, N.,Wu, J.W.,Chai, J.,Li, W.,Shi, Y. Molecular mechanisms of DrICE inhibition by DIAP1 and removal of inhibition by Reaper, Hid and Grim. Nat.Struct.Mol.Biol. 2004 11 420 428 1RJW 15122892 CRYSTAL STRUCTURE OF NAD(+)-DEPENDENT ALCOHOL DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS STRAIN LLD-R 2003-11-20 2004-05-11 Ceccarelli, C.,Liang, Z.X.,Strickler, M.,Prehna, G.,Goldstein, B.M.,Klinman, J.P.,Bahnson, B.J. Crystal Structure and Amide H/D Exchange of Binary Complexes of Alcohol Dehydrogenase from Bacillus stearothermophilus: Insight into Thermostability and Cofactor Binding Biochemistry 2004 43 5266 5277 1RYO 15123433 Human serum transferrin, N-lobe bound with oxalate 2003-12-22 2004-05-11 Halbrooks, P.J.,Mason, A.B.,Adams, T.E.,Briggs, S.K.,Everse, S.J. The oxalate effect on release of iron from human serum transferrin explained. J.Mol.Biol. 2004 339 217 226 1RV3 15170323 E75L MUTANT OF RABBIT CYTOSOLIC SERINE HYDROXYMETHYLTRANSFERASE, COMPLEX WITH GLYCINE 2003-12-12 2004-06-15 Szebenyi, D.M.,Musayev, F.N.,di Salvo, M.L.,Safo, M.K.,Schirch, V. Serine Hydroxymethyltransferase: Role of Glu75 and Evidence that Serine Is Cleaved by a Retroaldol Mechanism. Biochemistry 2004 43 6865 6876 1RV4 15170323 E75L MUTANT OF RABBIT CYTOSOLIC SERINE HYDROXYMETHYLTRANSFERASE 2003-12-12 2004-06-15 Szebenyi, D.M.,Musayev, F.N.,Di Salvo, M.L.,Safo, M.K.,Schirch, V. Serine Hydroxymethyltransferase: Role of Glu75 and Evidence that Serine Is Cleaved by a Retroaldol Mechanism. Biochemistry 2004 43 6865 6876 1SHY 15167892 The Crystal Structure of HGF beta-chain in Complex with the Sema Domain of the Met Receptor. 2004-02-26 2004-06-15 Stamos, J.,Lazarus, R.A.,Yao, X.,Kirchhofer, D.,Wiesmann, C. Crystal structure of the HGF beta-chain in complex with the Sema domain of the Met receptor. Embo J. 2004 23 2325 2335 1S5G 15184651 Structure of Scallop myosin S1 reveals a novel nucleotide conformation 2004-01-20 2004-06-22 Risal, D.,Gourinath, S.,Himmel, D.M.,Szent-Gyorgyi, A.G.,Cohen, C. Myosin subfragment 1 structures reveal a partially bound nucleotide and a complex salt bridge that helps couple nucleotide and actin binding. Proc.Natl.Acad.Sci.Usa 2004 101 8930 8935 1NTY 15199069 Crystal structure of the first DH/PH domain of Trio to 1.7 A 2003-01-30 2004-06-29 Skowronek, K.R.,Guo, F.,Zheng, Y.,Nassar, N. The C-terminal basic tail of RhoG assists the guanine nucleotide exchange factor trio in binding to phospholipids. J.Biol.Chem. 2004 279 37895 37907 1SDD 15184653 Crystal Structure of Bovine Factor Vai 2004-02-13 2004-06-29 Adams, T.E.,Hockin, M.F.,Mann, K.G.,Everse, S.J. The crystal structure of activated protein C-inactivated bovine factor Va: Implications for cofactor function. Proc.Natl.Acad.Sci.USA 2004 101 8918 8923 1Q2C 14536085 Crystal Structure of Tetrahymena GCN5 With Bound Coenzyme A and a 19-residue Histone H4 Peptide 2003-07-24 2004-08-03 Clements, A.,Poux, A.N.,Lo, S.,Pillus, L.,Berger, S.L.,Marmorstein, R. Structural basis for histone and phosphohistone binding by the GCN5 histone acetyltransferase Mol.Cell 2003 12 461 473 1Q2D 14661947 Crystal Structure of Tetrahymena GCN5 With Bound Coenzyme A and a 19-residue p53 peptide 2003-07-24 2004-08-03 Poux, A.N.,Marmorstein, R. Molecular basis for GCN5/PCAF histone acetyltransferase selectivity for histone and nonhistone substrates Biochemistry 2003 42 14366 14374 1TW9 16189827 Glutathione Transferase-2, apo form, from the nematode Heligmosomoides polygyrus 2004-06-30 2004-08-03 Schuller, D.J.,Liu, Q.,Kriksunov, I.A.,Campbell, A.M.,Barrett, J.,Brophy, P.M.,Hao, Q. Crystal structure of a new class of glutathione transferase from the model human hookworm nematode Heligmosomoides polygyrus. Proteins 2005 61 1024 1031 1SZ1 15295590 Mechanism of CCA-adding enzymes specificity revealed by crystal structures of ternary complexes 2004-04-02 2004-08-10 Xiong, Y.,Steitz, T.A. Mechanism of transfer RNA maturation by CCA-adding enzyme without using an oligonucleotide template. Nature 2004 430 640 645 1T8W 15296732 Crystal Structure of E. coli AMP Nucleosidase 2004-05-13 2004-08-17 Zhang, Y.,Cottet, S.E.,Ealick, S.E. Structure of Escherichia coli AMP Nucleosidase Reveals Similarity to Nucleoside Phosphorylases STRUCTURE 2004 12 1383 1394 1RLU 15342249 Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S 2003-11-26 2004-08-31 Leung, A.K.,Lucile White, E.,Ross, L.J.,Reynolds, R.C.,DeVito, J.A.,Borhani, D.W. Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches. J.Mol.Biol. 2004 342 953 970 1RQ2 15342249 MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH CITRATE 2003-12-04 2004-08-31 Leung, A.K.,Lucile White, E.,Ross, L.J.,Reynolds, R.C.,DeVito, J.A.,Borhani, D.W. Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches. J.Mol.Biol. 2004 342 953 970 1Q2Q 15588091 Enterobacter cloacae GC1 class C beta-lactamase complexed with penem WAY185229 2003-07-25 2004-09-14 Venkatesan, A.M.,Gu, Y.,Dos Santos, O.,Abe, T.,Agarwal, A.,Yang, Y.,Petersen, P.J.,Weiss, W.J.,Mansour, T.S.,Nukaga, M.,Hujer, A.,Bonomo, R.A.,Knox, J.R. Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates J.Med.Chem. 2004 47 6556 6568 1U1Q 15342234 Crystal Structure of UP1 Complexed With d(TTAGGGTTA(DI)GG); A Human Telomeric Repeat Containing Inosine 2004-07-15 2004-09-21 Myers, J.C.,Shamoo, Y. Human UP1 as a Model for Understanding Purine Recognition in the Family of Proteins Containing the RNA Recognition Motif (RRM). J.Mol.Biol. 2004 342 743 756 1U1R 15342234 Crystal Structure of UP1 Complexed With d(TTAGGGTTAG(2PR)G); A Human Telomeric Repeat Containing 2-aminopurine 2004-07-15 2004-09-21 Myers, J.C.,Shamoo, Y. Human UP1 as a Model for Understanding Purine Recognition in the Family of Proteins Containing the RNA Recognition Motif (RRM). J.Mol.Biol. 2004 342 743 756 1SK9 15341723 Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics 2004-03-04 2004-09-28 Liu, Q.,Huang, Q.,Lei, X.G.,Hao, Q. Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics Structure 2004 12 1575 1583 1SKA 15341723 Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics 2004-03-04 2004-09-28 Liu, Q.,Huang, Q.,Lei, X.G.,Hao, Q. Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics Structure 2004 12 1575 1583 1SKB 15341723 Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics 2004-03-04 2004-09-28 Liu, Q.,Huang, Q.,Lei, X.G.,Hao, Q. Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics Structure 2004 12 1575 1583 1TY4 15383288 Crystal structure of a CED-9/EGL-1 complex 2004-07-07 2004-09-28 Yan, N.,Gu, L.,Kokel, D.,Chai, J.,Li, W.,Han, A.,Chen, L.,Xue, D.,Shi, Y. Structural, Biochemical, and Functional Analyses of CED-9 Recognition by the Proapoptotic Proteins EGL-1 and CED-4 Mol.Cell 2004 15 999 1006 1U75 15339156 Electron Transfer Complex between Horse Heart Cytochrome c and Zinc-Porphyrin Substituted Cytochrome c Peroxidase 2004-08-02 2004-09-28 Kang, S.A.,Marjavaara, P.J.,Crane, B.R. Electron transfer between cytochrome c and cytochome c peroxidase in single crystals. J.Am.Chem.Soc. 2004 126 10836 10837 1TYE 15378069 Structural basis for allostery in integrins and binding of ligand-mimetic therapeutics to the platelet receptor for fibrinogen 2004-07-07 2004-10-12 Xiao, T.,Takagi, J.,Coller, B.S.,Wang, J.-H.,Springer, T.A. Structural basis for allostery in integrins and binding to fibrinogen-mimetic therapeutics Nature 2004 432 59 67 1TZ6 15458630 Crystal structure of aminoimidazole riboside kinase from Salmonella enterica complexed with aminoimidazole riboside and ATP analog 2004-07-09 2004-10-12 Zhang, Y.,Dougherty, M.,Downs, D.M.,Ealick, S.E. Crystal Structure of an Aminoimidazole Riboside Kinase from Salmonella enterica; Implications for the Evolution of the Ribokinase Superfamily STRUCTURE 2004 12 1809 1821 1TW6 15485396 Structure of an ML-IAP/XIAP chimera bound to a 9mer peptide derived from Smac 2004-06-30 2004-11-02 Vucic, D.,Franklin, M.C.,Wallweber, H.J.A.,Das, K.,Eckelman, B.P.,Shin, H.,Elliott, L.O.,Kadkhodayan, S.,Deshayes, K.,Salvesen, G.S.,Fairbrother, W.J. Engineering ML-IAP to produce an extraordinarily potent caspase 9 inhibitor: implications for Smac-dependent anti-apoptotic activity of ML-IAP Biochem.J. 2005 385 11 20 1X7D 15518536 Crystal Structure Analysis of Ornithine Cyclodeaminase Complexed with NAD and ornithine to 1.6 Angstroms 2004-08-13 2004-11-09 Goodman, J.L.,Wang, S.,Alam, S.,Ruzicka, F.J.,Frey, P.A.,Wedekind, J.E. Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for the u-Crystallin Family Biochemistry 2004 43 13883 13891 1XHX 15546620 Phi29 DNA Polymerase, orthorhombic crystal form 2004-09-21 2004-12-07 Kamtekar, S.,Berman, A.J.,Wang, J.,Lazaro, J.M.,de Vega, M.,Blanco, L.,Salas, M.,Steitz, T.A. Insights into Strand Displacement and Processivity from the Crystal Structure of the Protein-Primed DNA Polymerase of Bacteriophage phi29 Mol.Cell 2004 16 609 618 1XHZ 15546620 Phi29 DNA polymerase, orthorhombic crystal form, ssDNA complex 2004-09-21 2004-12-07 Kamtekar, S.,Berman, A.J.,Wang, J.,Lazaro, J.M.,de Vega, M.,Blanco, L.,Salas, M.,Steitz, T.A. Insights into Strand Displacement and Processivity from the Crystal Structure of the Protein-Primed DNA Polymerase of Bacteriophage phi29 Mol.Cell 2004 16 609 618 1XI1 15608377 Phi29 DNA polymerase ssDNA complex, monoclinic crystal form 2004-09-21 2004-12-07 Wang, J.,Kamtekar, S.,Berman, A.J.,Steitz, T.A. Correction of X-ray intensities from single crystals containing lattice-translocation defects Acta Crystallogr.,Sect.D 2005 61 67 74 1XKO 15546616 Structure of Thermotoga maritima CheX 2004-09-29 2004-12-07 Park, S.Y.,Chao, X.,Gonzalez-Bonet, G.,Beel, B.D.,Bilwes, A.M.,Crane, B.R. Structure and Function of an Unusual Family of Protein Phosphatases; The Bacterial Chemotaxis Proteins CheC and CheX. Mol.Cell 2004 16 563 574 1U76 15576034 Crystal structure of hPCNA bound to residues 452-466 of the DNA polymerase-delta-p66 subunit 2004-08-02 2004-12-14 Bruning, J.B.,Shamoo, Y. Structural and Thermodynamic Analysis of Human PCNA with Peptides Derived from DNA Polymerase-delta p66 Subunit and Flap Endonuclease-1. Structure 2004 12 2209 2219 1U7B 15576034 Crystal structure of hPCNA bound to residues 331-350 of the flap endonuclease-1 (FEN1) 2004-08-03 2004-12-14 Bruning, J.B.,Shamoo, Y. Structural and Thermodynamic Analysis of Human PCNA with Peptides Derived from DNA Polymerase-delta p66 Subunit and Flap Endonuclease-1. Structure 2004 12 2209 2219 1XNS 15591069 Peptide trapped Holliday junction intermediate in Cre-loxP recombination 2004-10-05 2004-12-14 Ghosh, K.,Lau, C.K.,Guo, F.,Segall, A.M.,Van Duyne, G.D. Peptide trapping of the Holliday junction intermediate in Cre-loxP site-specific recombination. J.Biol.Chem. 2005 280 8290 8299 1RC9 15596436 Crystal Structure of Stecrisp, a Member of CRISP Family from Trimeresurus Stejnegeri Refined at 1.6 Angstroms Resolution: Structual relationship of the two domains 2003-11-03 2005-01-11 Guo, M.,Teng, M.,Niu, L.,Liu, Q.,Huang, Q.,Hao, Q. Crystal structure of cysteine-rich secretory protein stecrisp reveals the cysteine-rich domain has a K+-channel inhibitor-like fold. J.Biol.Chem. 2004 280 12405 12412 1SK8 15341723 Crystallographic snapshots of Aspergillus fumigatus phytase revealing its enzymatic dynamics 2004-03-04 2005-02-08 Liu, Q.,Huang, Q.Q.,Lei, X.G.,Hao, Q. Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics Structure 2004 12 1575 1583 1YY5 15843025 Crystal structure of Fms1, a polyamine oxidase from Yeast 2005-02-23 2005-03-08 Huang, Q.,Liu, Q.,Hao, Q. Crystal Structures of Fms1 and its Complex with Spermine Reveal Substrate Specificity. J.Mol.Biol. 2005 348 951 959 1XN2 15628850 New substrate binding pockets for beta-secretase. 2004-10-04 2005-03-22 Turner III, R.T.,Hong, L.,Koelsch, G.,Ghosh, A.K.,Tang, J. Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase). Biochemistry 2005 44 105 112 1YYS 15835903 Y305F Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4S)-7-azabisabolene 2005-02-25 2005-03-29 Vedula, L.S.,Rynkiewicz, M.J.,Pyun, H.J.,Coates, R.M.,Cane, D.E.,Christianson, D.W. Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry 2005 44 6153 6163 1YYU 15835903 D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4S)-7-azabisabolene 2005-02-25 2005-03-29 Vedula, L.S.,Rynkiewicz, M.J.,Pyun, H.J.,Coates, R.M.,Cane, D.E.,Christianson, D.W. Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants. Biochemistry 2005 44 6153 6163 1Z37 15817485 Crystal structure of Trichomonas vaginalis purine nucleoside phosphorylase complexed with adenosine 2005-03-10 2005-03-29 Zang, Y.,Wang, W.H.,Wu, S.W.,Ealick, S.E.,Wang, C.C. Identification of a subversive substrate of Trichomonas vaginalis purine nucleoside phosphorylase and the crystal structure of the enzyme-substrate complex. J.Biol.Chem. 2005 280 22318 22325 1Z39 15817485 Crystal structure of Trichomonas vaginalis purine nucleoside phosphorylase complexed with 2'-deoxyinosine 2005-03-10 2005-03-29 Zang, Y.,Wang, W.H.,Wu, S.W.,Ealick, S.E.,Wang, C.C. Identification of a subversive substrate of Trichomonas vaginalis purine nucleoside phosphorylase and the crystal structure of the enzyme-substrate complex. J.Biol.Chem. 2005 280 22318 22325 1YQK 15800616 Human 8-oxoguanine glycosylase crosslinked with guanine containing DNA 2005-02-01 2005-04-05 Banerjee, A.,Yang, W.,Karplus, M.,Verdine, G.L. Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA. Nature 2005 434 612 618 1YCF 15850383 Oxidized (di-ferric) FprA from Moorella thermoacetica 2004-12-22 2005-04-19 Silaghi-Dumitrescu, R.,Kurtz Jr, D.M.,Ljungdahl, L.G.,Lanzilotta, W.N. X-ray crystal structures of Moorella thermoacetica FprA. Novel diiron site structure and mechanistic insights into a scavenging nitric oxide reductase. Biochemistry 2005 44 6492 6501 1Z6T 15829969 Structure of the apoptotic protease-activating factor 1 bound to ADP 2005-03-23 2005-04-19 Riedl, S.J.,Li, W.,Chao, Y.,Schwarzenbacher, R.,Shi, Y. Structure of the apoptotic protease-activating factor 1 bound to ADP Nature 2005 434 926 933 1Z6T 15829969 Structure of the apoptotic protease-activating factor 1 bound to ADP 2005-03-23 2005-04-19 Riedl, S.J.,Li, W.,Chao, Y.,Schwarzenbacher, R.,Shi, Y. Structure of the apoptotic protease-activating factor 1 bound to ADP Nature 2005 434 926 933 1XPQ 15843025 Crystal structure of fms1, a polyamine oxidase from yeast 2004-10-09 2005-04-26 Huang, Q.,Liu, Q.,Hao, Q. Crystal structures of Fms1 and its complex with spermine reveal substrate specificity. J.Mol.Biol. 2005 348 951 959 1YY9 15837620 Structure of the extracellular domain of the epidermal growth factor receptor in complex with the Fab fragment of cetuximab/Erbitux/IMC-C225 2005-02-24 2005-04-26 Li, S.,Schmitz, K.R.,Jeffrey, P.D.,Wiltzius, J.J.W.,Kussie, P.,Ferguson, K.M. Structural basis for inhibition of the epidermal growth factor receptor by cetuximab Cancer Cell 2005 7 301 311 1ZI0 15897198 A Superhelical Spiral in Escherichia coli DNA Gyrase A C-terminal Domain Imparts Unidirectional Supercoiling Bias 2005-04-26 2005-05-24 Ruthenburg, A.J.,Graybosch, D.M.,Huetsch, J.C.,Verdine, G.L. A superhelical spiral in the Escherichia coli DNA gyrase A C-terminal domain imparts unidirectional supercoiling bias J.Biol.Chem. 2005 280 26177 26184 1YFU 15909978 Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans 2005-01-04 2005-05-31 Zhang, Y.,Colabroy, K.L.,Begley, T.P.,Ealick, S.E. Structural Studies on 3-Hydroxyanthranilate-3,4-dioxygenase: The Catalytic Mechanism of a Complex Oxidation Involved in NAD Biosynthesis. Biochemistry 2005 44 7632 7643 1TGV Structure of E. coli Uridine Phosphorylase complexed with 5-Fluorouridine and sulfate 2004-05-31 2005-06-14 Bu, W.,Settembre, E.C.,Sanders, J.M.,Begley, T.P.,Ealick, S.E. Structures of E. coli Uridine Phosphorylase To be Published 2004 0 0 0 1TGY Structure of E. coli Uridine Phosphorylase complexed with uracil and ribose 1-phosphate 2004-05-31 2005-06-14 Bu, W.,Settembre, E.C.,Sanders, J.M.,Begley, T.P.,Ealick, S.E. Structures of E. coli Uridine Phosphorylase To be Published 2004 0 0 0 1XX5 16042391 Crystal Structure of Natrin from Naja atra snake venom 2004-11-04 2005-06-14 Wang, J.,Shen, B.,Guo, M.,Lou, X.H.,Duan, Y.,Cheng, X.P.,Teng, M.K.,Niu, L.W.,Liu, Q.,Huang, Q.,Hao, Q. Blocking effect and crystal structure of natrin toxin, a cysteine-rich secretory protein from Naja atra venom that targets the BKCa channel Biochemistry 2005 44 10145 10152 1U5E Crystal Structure of a N-terminal Fragment of SKAP-Hom Containing Both the Helical Dimerization Domain and the PH Domain 2004-07-27 2005-07-26 Tang, Y.,Swanson, K.D.,Neel, B.G.,Eck, M.J. Structural Basis for the Dimerization and Phosphoinositide Specificity of the Src Kinase-associated Phosphoproteins SKAP55 and SKAP-Hom To be Published 0 0 0 0 1U5F Crystal Structure of the PH Domain of SKAP-Hom with 8 Vector-derived N-terminal Residues 2004-07-27 2005-07-26 Tang, Y.,Swanson, K.D.,Neel, B.G.,Eck, M.J. Structural Basis for the Dimerization and Phosphoinositide Specificity of the Src Kinase-associated Phosphoproteins SKAP55 and SKAP-Hom To be Published 0 0 0 0 2A4M 15998643 Structure of Trprs II bound to ATP 2005-06-29 2005-08-02 Buddha, M.R.,Crane, B.R. Structures of Tryptophanyl-tRNA Synthetase II from Deinococcus radiodurans Bound to ATP and Tryptophan: Insight into subunit cooperativity and domain motions linked to catalysis J.Biol.Chem. 2005 280 31965 31973 1ZR2 15994378 Structure of a Synaptic gamma-delta Resolvase Tetramer Covalently Linked to two Cleaved DNAs 2005-05-18 2005-08-30 Li, W.,Kamtekar, S.,Xiong, Y.,Sarkis, G.J.,Grindley, N.D.,Steitz, T.A. Structure of a synaptic gamma delta resolvase tetramer covalently linked to two cleaved DNAs. Science 2005 309 1210 1215 1TV5 16510978 Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor 2004-06-27 2005-09-06 Hurt, D.E.,Widom, J.,Clardy, J. Structure of Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor. Acta Crystallogr.,Sect.D 2006 62 312 323 1Z6L crystal structure of Fms1 in complex with its substrate 2005-03-22 2005-09-27 Huang, Q.,Liu, Q.,Hao, Q. crystal structure of Fms1 in complex with its substrate To be Published 0 0 0 0 2AUJ 16154587 Structure of Thermus aquaticus RNA polymerase beta'-subunit insert 2005-08-27 2005-10-04 Chlenov, M.,Masuda, S.,Murakami, K.S.,Nikiforov, V.,Darst, S.A.,Mustaev, A. Structure and Function of Lineage-specific Sequence Insertions in the Bacterial RNA Polymerase beta' Subunit J.Mol.Biol. 2005 353 138 154 2A0L 16223877 Crystal structure of KvAP-33H1 Fv complex 2005-06-16 2005-11-01 Lee, S.Y.,Lee, A.,Chen, J.,Mackinnon, R. Structure of the KvAP voltage-dependent K+ channel and its dependence on the lipid membrane. Proc.Natl.Acad.Sci.Usa 2005 102 15441 15446 1X9C 16262240 An all-RNA Hairpin Ribozyme with mutation U39C 2004-08-20 2005-11-22 Alam, S.,Grum-Tokars, V.,Krucinska, J.,Kundracik, M.L.,Wedekind, J.E. Conformational Heterogeneity at Position U37 of an All-RNA Hairpin Ribozyme with Implications for Metal Binding and the Catalytic Structure of the S-Turn. Biochemistry 2005 44 14396 14408 2D03 16204891 Crystal structure of the G91S mutant of the NNA7 Fab 2005-07-23 2006-01-24 Xie, K.,Song, S.C.,Spitalnik, S.L.,Wedekind, J.E. Crystallographic analysis of the NNA7 Fab and proposal for the mode of human blood-group recognition. Acta Crystallogr.,Sect.D 2005 61 1386 1394 2EZV 16308566 Crystal structure of tetrameric restriction endonuclease SfiI bound to cognate DNA. 2005-11-10 2006-01-24 Vanamee, E.S.,Viadiu, H.,Kucera, R.,Dorner, L.,Picone, S.,Schildkraut, I.,Aggarwal, A.K. A view of consecutive binding events from structures of tetrameric endonuclease SfiI bound to DNA Embo J. 2005 24 4198 4208 2FP3 16446367 Crystal structure of the Drosophila initiator caspase Dronc 2006-01-15 2006-01-31 Yan, N.,Huh, J.R.,Schirf, V.,Demeler, B.,Hay, B.A.,Shi, Y. Structure and activation mechanism of the Drosophila initiator caspase dronc J.Biol.Chem. 2006 281 8667 8674 2FRH 16455801 Crystal Structure of Sara, A Transcription Regulator From Staphylococcus Aureus 2006-01-19 2006-01-31 Liu, Y.,Manna, A.C.,Pan, C.H.,Kriksunov, I.A.,Thiel, D.J.,Cheung, A.L.,Zhang, G. Structural and function analyses of the global regulatory protein SarA from Staphylococcus aureus. Proc.Natl.Acad.Sci.Usa 2006 103 2392 2397 2F1Z 16402859 Crystal structure of HAUSP 2005-11-15 2006-02-07 Hu, M.,Gu, L.,Li, M.,Jeffrey, P.D.,Gu, W.,Shi, Y. Structural Basis of Competitive Recognition of p53 and MDM2 by HAUSP/USP7: Implications for the Regulation of the p53-MDM2 Pathway. Plos Biol. 2006 4 0 0 1ZFT 16411744 The crystal structure of an all-RNA minimal Hairpin Ribozyme with mutant G8I at the cleavage site 2005-04-20 2006-02-14 Salter, J.,Krucinska, J.,Alam, S.,Grum-Tokars, V.,Wedekind, J.E. Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer. Biochemistry 2006 45 686 700 1ZFV 16411744 The structure of an all-RNA minimal Hairpin Ribozyme with Mutation G8A at the cleavage site 2005-04-20 2006-02-14 Salter, J.,Krucinska, J.,Alam, S.,Grum-Tokars, V.,Wedekind, J.E. Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer. Biochemistry 2006 45 686 700 1ZFX 16411744 The Structure of a minimal all-RNA Hairpin Ribozyme with the mutant G8U at the cleavage site 2005-04-20 2006-02-14 Salter, J.,Krucinska, J.,Alam, S.,Grum-Tokars, V.,Wedekind, J.E. Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer. Biochemistry 2006 45 686 700 2BCY 16411744 Crystal Structure of a minimal, mutant all-RNA hairpin ribozyme (U39C, G8MTU) 2005-10-19 2006-02-14 Salter, J.D.,Krucinska, J.,Alam, S.,Grum-Tokars, V.,Wedekind, J.E. Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer. Biochemistry 2006 45 686 700 2BCZ 16411744 Crystal Structure of a minimal, mutant all-RNA hairpin ribozyme (U39C, G8I, 2'deoxy A-1) 2005-10-19 2006-02-14 Salter, J.D.,Krucinska, J.,Alam, S.,Grum-Tokars, V.,Wedekind, J.E. Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer. Biochemistry 2006 45 686 700 2FGP 16411744 Crystal structure of a minimal, all RNA hairpin ribozyme with modifications (g8dap, u39c) at ph 8.6 2005-12-22 2006-02-14 Salter, J.D.,Krucinska, J.,Alam, S.,Grum-Tokars, V.,Wedekind, J.E. Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer. Biochemistry 2006 45 686 700 2BCN 16478190 Solvent isotope effects on interfacial protein electron transfer between cytochrome c and cytochrome c peroxidase 2005-10-19 2006-02-28 Kang, S.A.,Hoke, K.R.,Crane, B.R. Solvent isotope effects on interfacial protein electron transfer in crystals and electrode films. J.Am.Chem.Soc. 2006 128 2346 2355 2F5O 16497933 MutM crosslinked to undamaged DNA sampling G:C base pair IC3 2005-11-26 2006-03-07 Banerjee, A.,Santos, W.L.,Verdine, G.L. Structure of a DNA glycosylase searching for lesions. Science 2006 311 1153 1157 2F5S 16497933 Catalytically inactive (E3Q) MutM crosslinked to oxoG:C containing DNA CC1 2005-11-26 2006-03-07 Banerjee, A.,Santos, W.L.,Verdine, G.L. Structure of a DNA glycosylase searching for lesions. Science 2006 311 1153 1157 2ERE 16615914 Crystal Structure of a Leu3 DNA-binding domain complexed with a 15mer DNA duplex 2005-10-24 2006-04-04 Fitzgerald, M.X.,Rojas, J.R.,Kim, J.M.,Kohlhaw, G.B.,Marmorstein, R. Structure of a Leu3-DNA complex: recognition of everted CGG half-sites by a Zn2Cys6 binuclear cluster protein. Structure 2006 14 725 735 2ERG 16615914 Crystal Structure of Leu3 DNA-binding domain with a single H50C mutation complexed with a 15mer DNA duplex 2005-10-24 2006-04-04 Fitzgerald, M.X.,Rojas, J.R.,Kim, J.M.,Kohlhaw, G.B.,Marmorstein, R. Structure of a Leu3-DNA complex: recognition of everted CGG half-sites by a Zn2Cys6 binuclear cluster protein. Structure 2006 14 725 735 2FOY 16506782 Human Carbonic Anhydrase I complexed with a two-prong inhibitor 2006-01-14 2006-04-04 Jude, K.M.,Banerjee, A.L.,Haldar, M.K.,Manokaran, S.,Roy, B.,Mallik, S.,Srivastava, D.K.,Christianson, D.W. Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc. 2006 128 3011 3018 1ZVF The crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from Saccharomyces cerevisiae 2005-06-02 2006-06-02 Li, X.,Guo, M.,Teng, M.,Niu, L. The crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from Saccharomyces cerevisiae To be published 0 0 0 0 1ZU0 Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein 2005-05-28 2006-06-06 Xu, S.,Li, X.,Roseman, R.,Stock, A.M. Crystal structure of the liganded and unliganded periplasmic chitin oligosaccharide binding protein To be Published 0 0 0 0 2H1R 17125854 Crystal structure of a dimethyladenosine transferase from Plasmodium falciparum 2006-05-16 2006-06-13 Vedadi, M.,Lew, J.,Artz, J.,Amani, M.,Zhao, Y.,Dong, A.,Wasney, G.A.,Gao, M.,Hills, T.,Brokx, S.,Qiu, W.,Sharma, S.,Diassiti, A.,Alam, Z.,Melone, M.,Mulichak, A.,Wernimont, A.,Bray, J.,Loppnau, P.,Plotnikova, O.,Newberry, K.,Sundararajan, E.,Houston, S.,Walker, J.,Tempel, W.,Bochkarev, A.,Kozieradzki, I.,Edwards, A.,Arrowsmith, C.,Roos, D.,Kain, K.,Hui, R. Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol. 2007 151 100 110 2AM4 16769084 Crystal Structure of N-Acetylglucosaminyltransferase I in Complex with UDP-2-deoxy-2-fluoro-glucose 2005-08-08 2006-06-27 Gordon, R.D.,Sivarajah, P.,Satkunarajah, M.,Ma, D.,Tarling, C.A.,Vizitiu, D.,Withers, S.G.,Rini, J.M. X-ray Crystal Structures of Rabbit N-acetylglucosaminyltransferase I (GnT I) in Complex with Donor Substrate Analogues. J.Mol.Biol. 2006 360 67 79 2APC 16769084 Crystal Structure of N-Acetylglucosaminyltransferase I in Complex with UDP-GlcNAc phosphonate 2005-08-16 2006-06-27 Gordon, R.D.,Sivarajah, P.,Satkunarajah, M.,Ma, D.,Tarling, C.A.,Vizitiu, D.,Withers, S.G.,Rini, J.M. X-ray Crystal Structures of Rabbit N-acetylglucosaminyltransferase I (GnT I) in Complex with Donor Substrate Analogues. J.Mol.Biol. 2006 360 67 79 2HAU 16793765 Apo-Human Serum Transferrin (Non-Glycosylated) 2006-06-13 2006-06-27 Wally, J.,Halbrooks, P.J.,Vonrhein, C.,Rould, M.A.,Everse, S.J.,Mason, A.B.,Buchanan, S.K. The Crystal Structure of Iron-free Human Serum Transferrin Provides Insight into Inter-lobe Communication and Receptor Binding. J.Biol.Chem. 2006 281 24934 24944 2EU2 16820676 Human Carbonic Anhydrase II in complex with novel inhibitors 2005-10-28 2006-07-11 Fisher, S.Z.,Govindasamy, L.,Boyle, N.,Agbandje-McKenna, M.,Silverman, D.N.,Blackburn, G.M.,McKenna, R. X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes. Acta Crystallogr.,Sect.F 2006 62 618 622 2CJQ 16843892 Bovine viral diarrhea virus CP7-R12 RNA-dependent RNA polymerase 2006-04-05 2006-07-19 Choi, K.H.,Gallei, A.,Becher, P.,Rossmann, M.G. The Structure of Bovine Viral Diarrhea Virus RNA-Dependent RNA Polymerase and its Amino-Terminal Domain. Structure 2006 14 1107 0 2HCT 16861223 Acidic residues at the active sites of CD38 and ADP-ribosyl cyclase determine NAAPD synthesis and hydrolysis activities 2006-06-18 2006-08-22 Graeff, R.,Liu, Q.,Kriksunov, I.A.,Hao, Q.,Lee, H.C. Acidic residues at the active sites of CD38 and ADP-ribosyl cyclase determine nicotinic acid adenine dinucleotide phosphate (NAADP) synthesis and hydrolysis activities. J.Biol.Chem. 2006 281 28951 28957 2HEW 16905106 The X-ray crystal structure of murine OX40L 2006-06-22 2006-08-29 Compaan, D.M.,Hymowitz, S.G. The Crystal Structure of the Costimulatory OX40-OX40L Complex. Structure 2006 14 1321 1330 2I65 16951430 Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis 2006-08-28 2006-09-05 Liu, Q.,Kriksunov, I.A.,Graeff, R.,Munshi, C.,Lee, H.C.,Hao, Q. Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis. J.Biol.Chem. 2006 281 32861 32869 2I66 16951430 Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis 2006-08-28 2006-09-05 Liu, Q.,Kriksunov, I.A.,Graeff, R.,Munshi, C.,Lee, H.C.,Hao, Q. Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis. J.Biol.Chem. 2006 281 32861 32869 2I67 16951430 Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis 2006-08-28 2006-09-05 Liu, Q.,Kriksunov, I.A.,Graeff, R.,Munshi, C.,Lee, H.C.,Hao, Q. Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis. J.Biol.Chem. 2006 281 32861 32869 2HMT 16990138 Diamond-shaped octameric ring structure of an RCK domain with NADH bound 2006-07-11 2006-09-26 Albright, R.A.,Ibar, J.L.,Kim, C.U.,Gruner, S.M.,Morais-Cabral, J.H. The RCK Domain of the KtrAB K(+) Transporter: Multiple Conformations of an Octameric Ring. Cell(Cambridge,Mass.) 2006 126 1147 1159 2HMU 16990138 Diamond-shaped octameric ring structure of an RCK domain with ATP bound 2006-07-11 2006-09-26 Albright, R.A.,Ibar, J.L.,Kim, C.U.,Gruner, S.M.,Morais-Cabral, J.H. The RCK Domain of the KtrAB K(+) Transporter: Multiple Conformations of an Octameric Ring. Cell(Cambridge,Mass.) 2006 126 1147 1159 2HMV 16990138 Diamond-shaped octameric ring structure of an RCK domain with ADP bound 2006-07-11 2006-09-26 Albright, R.A.,Ibar, J.L.,Kim, C.U.,Gruner, S.M.,Morais-Cabral, J.H. The RCK Domain of the KtrAB K(+) Transporter: Multiple Conformations of an Octameric Ring. Cell(Cambridge,Mass.) 2006 126 1147 1159 2HAZ 17003032 Crystal structure of the first fibronectin domain of human NCAM1 2006-06-13 2006-10-03 Mendiratta, S.S.,Sekulic, N.,Hernandez-Guzman, F.G.,Close, B.E.,Lavie, A.,Colley, K.J. A novel alpha-helix in the first fibronectin type III repeat of the neural cell adhesion molecule is critical for N-glycan polysialylation. J.Biol.Chem. 2006 281 36052 36059 2CKO 17007874 Crystal structure of Human Choline Kinase alpha 2 2006-04-20 2006-10-04 Malito, E.,Sekulic, N.,Too, W.C.,Konrad, M.,Lavie, A. Elucidation of Human Choline Kinase Crystal Structures in Complex with the Products Adp or Phosphocholine. J.Mol.Biol. 2006 364 136 0 2B9R 17495533 Crystal Structure of Human Cyclin B1 2005-10-12 2006-10-17 Petri, E.T.,Errico, A.,Escobedo, L.,Hunt, T.,Basavappa, R. The Crystal Structure of Human Cyclin B. Cell Cycle 2007 6 1342 1349 2NN2 17189472 Crystal structure of the BTB domain from the LRF/ZBTB7 transcriptional regulator 2006-10-23 2006-11-21 Stogios, P.J.,Chen, L.,Prive, G.G. Crystal structure of the BTB domain from the LRF/ZBTB7 transcriptional regulator. Protein Sci. 2007 16 336 342 2F1B 17557336 GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S,5R)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol 2005-11-14 2006-12-05 Englebienne, P.,Fiaux, H.,Kuntz, D.A.,Corbeil, C.R.,Gerber-Lemaire, S.,Rose, D.R.,Moitessier, N. Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography. Proteins 2007 69 160 176 2F7R Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol 2005-12-01 2006-12-12 Kawatkar, S.P.,Kuntz, D.A.,Rose, D.R.,Boons, G.J. Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol To be Published 0 0 0 0 2O3Q 17182614 Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 2006-12-01 2006-12-12 Liu, Q.,Kriksunov, I.A.,Graeff, R.,Lee, H.C.,Hao, Q. Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38 J.Biol.Chem. 2007 282 5853 5861 2O3R 17182614 Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 2006-12-01 2006-12-12 Liu, Q.,Kriksunov, I.A.,Graeff, R.,Lee, H.C.,Hao, Q. Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38 J.Biol.Chem. 2007 282 5853 5861 2O3S 17182614 Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 2006-12-01 2006-12-12 Liu, Q.,Kriksunov, I.A.,Graeff, R.,Lee, H.C.,Hao, Q. Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38 J.Biol.Chem. 2007 282 5853 5861 2IX7 17151196 Structure of apo-calmodulin bound to unconventional myosin V 2006-07-07 2006-12-13 Houdusse, A.,Gaucher, J.F.,Krementsova, E.,Mui, S.,Trybus, K.M.,Cohen, C. Crystal Structure of Apo-Calmodulin Bound to the First Two Iq Motifs of Myosin V Reveals Essential Recognition Features. Proc.Natl.Acad.Sci.USA 2006 103 19326 0 2O3T 17182614 Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 2006-12-01 2006-12-19 Liu, Q.,Kriksunov, I.A.,Graeff, R.,Lee, H.C.,Hao, Q. Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38 J.Biol.Chem. 2007 282 5853 5861 2O3U 17182614 Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 2006-12-01 2006-12-19 Liu, Q.,Kriksunov, I.A.,Graeff, R.,Lee, H.C.,Hao, Q. Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38 J.Biol.Chem. 2007 282 5853 5861 2FZI 17019704 New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives 2006-02-09 2006-12-26 Cody, V.,Pace, J.,Chisum, K.,Rosowsky, A. New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions. Proteins 2006 65 959 969 2O25 Ubiquitin-Conjugating Enzyme E2-25 kDa Complexed With SUMO-1-Conjugating Enzyme UBC9 2006-11-29 2007-01-16 Walker, J.R.,Avvakumov, G.V.,Xue, S.,Newman, E.M.,Mackenzie, F.,Weigelt, J.,Sundstrom, M.,Arrowsmith, C.H.,Edwards, A.M.,Bochkarev, A.,Dhe-Paganon, S. A Novel and Unexpected Complex Between the SUMO-1-Conjugating Enzyme UBC9 and the Ubiquitin-Conjugating Enzyme E2-25 kDa To be Published 0 0 0 0 2OD2 17289592 Crystal Structure of yHst2 I117F mutant bound to carba-NAD+ and an acetylated H4 peptide 2006-12-21 2007-02-20 Sanders, B.D.,Zhao, K.,Slama, J.T.,Marmorstein, R. Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes. Mol.Cell 2007 25 463 472 2OD7 17289592 Crystal Structure of yHst2 bound to the intermediate analogue ADP-HPD, and and aceylated H4 peptide 2006-12-21 2007-02-27 Sanders, B.D.,Zhao, K.,Slama, J.T.,Marmorstein, R. Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes. Mol.Cell 2007 25 463 472 2OD9 17289592 Structural Basis for Nicotinamide Inhibition and Base Exchange in Sir2 Enzymes 2006-12-21 2007-02-27 Sanders, B.D.,Zhao, K.,Slama, J.T.,Marmorstein, R. Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes. Mol.Cell 2007 25 463 472 2OUE 16411744 Crystal structure of a junctionless all-RNA hairpin ribozyme at 2.05 angstroms resolution 2007-02-10 2007-03-06 Salter, J.,Krucinska, J.,Alam, S.,Grum-Tokars, V.,Wedekind, J.E. Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer. Biochemistry 2006 45 686 700 2OTX 19026786 Crystal Structure of A N-terminal Fragment of SKAP-HOM Containing both the Helical Dimerization Domain and the PH Domain 2007-02-09 2007-03-27 Swanson, K.D.,Tang, Y.,Ceccarelli, D.F.,Poy, F.,Sliwa, J.P.,Neel, B.G.,Eck, M.J. The Skap-hom dimerization and PH domains comprise a 3'-phosphoinositide-gated molecular switch. Mol.Cell 2008 32 564 575 2PGJ 17591784 Catalysis associated conformational changes revealed by human cd38 complexed with a non-hydrolyzable substrate analog 2007-04-09 2007-04-24 Liu, Q.,Kriksunov, I.A.,Moreau, C.,Graeff, R.,Potter, B.V.,Lee, H.C.,Hao, Q. Catalysis-associated Conformational Changes Revealed by Human CD38 Complexed with a Non-hydrolyzable Substrate Analog J.Biol.Chem. 2007 282 24825 24832 2PGL 17591784 Catalysis associated conformational changes revealed by human CD38 complexed with a non-hydrolyzable substrate analog 2007-04-09 2007-04-24 Liu, Q.,Kriksunov, I.A.,Moreau, C.,Graeff, R.,Potter, B.V.,Lee, H.C.,Hao, Q. Catalysis-associated Conformational Changes Revealed by Human CD38 Complexed with a Non-hydrolyzable Substrate Analog J.Biol.Chem. 2007 282 24825 24832 2NLJ 17472437 Potassium Channel KcsA(M96V)-Fab complex in KCl 2006-10-20 2007-05-15 Lockless, S.W.,Zhou, M.,Mackinnon, R. Structural and Thermodynamic Properties of Selective Ion Binding in a K(+) Channel. Plos Biol. 2007 5 0 0 2PXX 19089949 Human putative methyltransferase MGC2408 2007-05-14 2007-05-22 Tempel, W.,Wu, H.,Dombrovsky, L.,Zeng, H.,Loppnau, P.,Zhu, H.,Plotnikov, A.N.,Bochkarev, A. An intact SAM-dependent methyltransferase fold is encoded by the human endothelin-converting enzyme-2 gene. Proteins 2009 74 789 793 2OS8 17502101 Rigor-like structures of muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor 2007-02-05 2007-05-29 Yang, Y.,Gourinath, S.,Kovacs, M.,Nyitray, L.,Reutzel, R.,Himmel, D.M.,O'neall-Hennessey, E.,Reshetnikova, L.,Szent-Gyorgyi, A.G.,Brown, J.H.,Cohen, C. Rigor-like Structures from Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor. Structure 2007 15 553 564 2OTG 17502101 Rigor-like structures of muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor 2007-02-08 2007-05-29 Yang, Y.,Gourinath, S.,Kovacs, M.,Nyitray, L.,Reutzel, R.,Himmel, D.M.,O'Neall-Hennessey, E.,Reshetnikova, L.,Szent-Gyorgyi, A.G.,Brown, J.H.,Cohen, C. Rigor-like Structures from Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor. Structure 2007 15 553 564 2Q2G Crystal structure of dimerization domain of HSP40 from Cryptosporidium parvum, cgd2_1800 2007-05-28 2007-06-12 Wernimont, A.K.,Lew, J.,Lin, L.,Hassanali, A.,Kozieradzki, I.,Wasney, G.,Vedadi, M.,Walker, J.R.,Zhao, Y.,Schapira, M.,Bochkarev, A.,Weigelt, J.,Sundstrom, M.,Arrowsmith, C.H.,Edwards, A.M.,Hui, R.,Brokx, S. Crystal structure of dimerization domain of HSP40 from Cryptosporidium parvum, cgd2_1800. To be Published 0 0 0 0 2HDZ 17505112 Crystal Structure Analysis of the UBF HMG box5 2006-06-21 2007-06-26 Rong, H.,Li, Y.,Shi, X.,Zhang, X.,Gao, Y.,Dai, H.,Teng, M.K.,Niu, L.W.,Liu, Q.,Hao, Q. Structure of human upstream binding factor HMG box 5 and site for binding of the cell-cycle regulatory factor TAF1 Acta Crystallogr.,Sect.D 2007 63 730 737 2PFF 17448991 Structural Insights of Yeast Fatty Acid Synthase 2007-04-04 2007-07-10 Xiong, Y.,Lomakin, I.B.,Steitz, T.A. Structural Insights of Yeast Fatty Acid Synthase Cell(Cambridge,Mass.) 2007 129 319 332 2NU6 17642514 C123aA Mutant of E. coli Succinyl-CoA Synthetase 2006-11-08 2007-07-24 Hidber, E.,Brownie, E.R.,Hayakawa, K.,Fraser, M.E. Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis ACTA CRYSTALLOGR.,SECT.D 2007 63 876 884 2NU7 17642514 C123aS Mutant of E. coli Succinyl-CoA Synthetase 2006-11-08 2007-07-24 Hidber, E.,Brownie, E.R.,Hayakawa, K.,Fraser, M.E. Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis ACTA CRYSTALLOGR.,SECT.D 2007 63 876 884 2NU8 17642514 C123aT Mutant of E. coli Succinyl-CoA Synthetase 2006-11-08 2007-07-24 Hidber, E.,Brownie, E.R.,Hayakawa, K.,Fraser, M.E. Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis ACTA CRYSTALLOGR.,SECT.D 2007 63 876 884 2QNR Human septin 2 in complex with GDP 2007-07-19 2007-07-31 Rabeh, W.M.,Nedyalkova, L.,Tempel, W.,Landry, R.,Crombet, L.,Kozieradzki, I.,Senisterra, G.,Vedadi, M.,Arrowsmith, C.H.,Edwards, A.M.,Sundstrom, M.,Weigelt, J.,Bochkarev, A.,Park, H. Human septin 2 in complex with GDP. To be Published 0 0 0 0 2QNI Crystal structure of uncharacterized protein Atu0299 2007-07-18 2007-08-07 Dong, A.,Xu, X.,Gu, J.,Zheng, H.,Edwards, A.M.,Joachimiak, A.,Savchenko, A. Crystal structure of uncharacterized protein Atu0299. To be Published 0 0 0 0 2I7O 18583608 Structure of Re(4,7-dimethyl-phen)(Thr124His)(Lys122Trp)(His83Gln)AzCu(II), a Rhenium modified Azurin mutant 2006-08-31 2007-08-14 Shih, C.,Museth, A.K.,Abrahamsson, M.,Blanco-Rodriguez, A.M.,Di Bilio, A.J.,Sudhamsu, J.,Crane, B.R.,Ronayne, K.L.,Towrie, M.,Vlcek, A.,Richards, J.H.,Winkler, J.R.,Gray, H.B. Tryptophan-accelerated electron flow through proteins. Science 2008 320 1760 1762 2NPY 17582172 Crystal Structure of a junctioned hairpin ribozyme incorporating 9atom linker and 2'-deoxy 2'-amino U at A-1 2006-10-30 2007-08-14 MacElrevey, C.,Spitale, R.C.,Krucinska, J.,Wedekind, J.E. A posteriori design of crystal contacts to improve the X-ray diffraction properties of a small RNA enzyme. Acta Crystallogr.,Sect.D 2007 63 812 825 2QPW 20084102 Methyltransferase domain of human PR domain-containing protein 2 2007-07-25 2007-08-14 Wu, H.,Min, J.,Lunin, V.V.,Antoshenko, T.,Dombrovski, L.,Zeng, H.,Allali-Hassani, A.,Campagna-Slater, V.,Vedadi, M.,Arrowsmith, C.H.,Plotnikov, A.N.,Schapira, M. Structural biology of human H3K9 methyltransferases Plos One 2010 5 0 0 2NXQ 17554780 Crystal structure of calcium binding protein 1 from Entamoeba histolytica: a novel arrangement of EF hand motifs 2006-11-18 2007-08-21 Kumar, S.,Padhan, N.,Alam, N.,Gourinath, S. Crystal structure of calcium binding protein-1 from Entamoeba histolytica: A novel arrangement of EF hand motifs. Proteins 2007 68 990 998 2QOC 18547520 Human EphA3 kinase domain, phosphorylated, AMP-PNP bound structure 2007-07-20 2007-08-21 Davis, T.L.,Walker, J.R.,Loppnau, P.,Butler-Cole, C.,Allali-Hassani, A.,Dhe-Paganon, S. Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3). Structure 2008 16 873 884 2QTO 17698000 An anisotropic model for potassium channel KcsA 2007-08-02 2007-09-25 Chen, X.,Poon, B.K.,Dousis, A.,Wang, Q.,Ma, J. Normal-mode refinement of anisotropic thermal parameters for potassium channel KcsA at 3.2 A crystallographic resolution Structure 2007 15 955 962 2QQF 17289592 Hst2 bound to ADP-HPD and Acetylated histone H4 2007-07-26 2007-10-09 Sanders, B.D.,Zhao, K.,Slama, J.T.,Marmorstein, R. Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes. Mol.Cell 2007 25 463 472 2QQG 17289592 Hst2 bound to ADP-HPD, acetyllated histone H4 and nicotinamide 2007-07-26 2007-10-09 Sanders, B.D.,Zhao, K.,Slama, J.T.,Marmorstein, R. Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes. Mol.Cell 2007 25 463 472 2Q97 17911258 Complex of mammalian actin with toxofilin from toxoplasma gondii 2007-06-12 2007-10-16 Lee, S.H.,Hayes, D.B.,Rebowski, G.,Tardieux, I.,Dominguez, R. Toxofilin from Toxoplasma gondii forms a ternary complex with an antiparallel actin dimer Proc.Natl.Acad.Sci.Usa 2007 104 16122 16127 2Q9Z 17678871 Trichodiene synthase: Complex with inorganic pyrophosphate resulting from the reaction with 2-fluorofarnesyl diphosphate 2007-06-14 2007-10-30 Vedula, L.S.,Zhao, Y.,Coates, R.M.,Koyama, T.,Cane, D.E.,Christianson, D.W. Exploring biosynthetic diversity with trichodiene synthase. Arch.Biochem.Biophys. 2007 466 260 266 3B6Y Crystal Structure of the Second HIN-200 Domain of Interferon-Inducible Protein 16 2007-10-29 2007-11-13 Liao, J.C.C.,Lam, R.,Ravichandran, M.,Duan, S.,Tempel, W.,Chirgadze, N.Y.,Arrowsmith, C.H. Crystal Structure Analysis of the Second HIN Domain of IFI16. To be Published 0 0 0 0 3BFK Crystal structure of Plasmodium falciparum Rab11a in complex with GDP 2007-11-21 2007-12-04 Pizarro, J.C.,Sukumar, D.,Hassanali, A.,Lin, L.,Wernimont, A.K.,Lew, J.,Kozieradzki, I.,Edwards, A.M.,Arrowsmith, C.H.,Weigelt, J.,Sundstrom, M.,Bochkarev, A.,Hui, R. Crystal structure of Plasmodium falciparum Rab11a in complex with GDP. To be Published 0 0 0 0 2QRN 18084067 Human Deoxycytidine kinase dCMP, UDP, Mg ion product complex 2007-07-28 2007-12-11 Soriano, E.V.,Clark, V.C.,Ealick, S.E. Structures of human deoxycytidine kinase product complexes. Acta Crystallogr.,Sect.D 2007 63 1201 1207 3BI2 Crystal structures of fms1 in complex with its inhibitors 2007-11-29 2008-01-01 Huang, Q.,Hao, Q. Crystal structures of fms1 in complex with its inhibitors To be Published 0 0 0 0 2OW6 18076078 Golgi alpha-mannosidase II complex with (1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol chloride 2007-02-15 2008-01-08 Kumar, N.S.,Kuntz, D.A.,Wen, X.,Pinto, B.M.,Rose, D.R. Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding. Proteins 2008 71 1484 1496 3BAS 18155233 Crystal structure of the N-terminal region of the scallop myosin rod, monoclinic (C2) form 2007-11-08 2008-01-08 Brown, J.H.,Yang, Y.,Reshetnikova, L.,Gourinath, S.,Suveges, D.,Kardos, J.,Hobor, F.,Reutzel, R.,Nyitray, L.,Cohen, C. An unstable head-rod junction may promote folding into the compact off-state conformation of regulated myosins. J.Mol.Biol. 2008 375 1434 1443 3BXY 18242192 Crystal structure of tetrahydrodipicolinate N-succinyltransferase from E. coli 2008-01-15 2008-01-29 Nguyen, L.,Kozlov, G.,Gehring, K. Structure of Escherichia coli tetrahydrodipicolinate N-succinyltransferase reveals the role of a conserved C-terminal helix in cooperative substrate binding. Febs Lett. 2008 582 623 626 3BYV 19197235 Crystal structure of Toxoplasma gondii specific rhoptry antigen kinase domain 2008-01-16 2008-01-29 Qiu, W.,Wernimont, A.,Tang, K.,Taylor, S.,Lunin, V.,Schapira, M.,Fentress, S.,Hui, R.,Sibley, L.D. Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii. Embo J. 2009 28 969 979 3B2V 18275813 Crystal structure of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 2007-10-19 2008-02-19 Li, S.,Kussie, P.,Ferguson, K.M. Structural basis for EGF receptor inhibition by the therapeutic antibody IMC-11F8. Structure 2008 16 216 227 2EC6 17502101 Placopecten Striated Muscle Myosin II 2007-02-10 2008-02-26 Yang, Y.,Gourinath, S.,Kovacs, M.,Nyitray, L.,Reutzel, R.,Himmel, D.M.,O'Neall-Hennessey, E.,Reshetnikova, L.,Szent-Gyorgyi, A.G.,Brown, J.H.,Cohen, C. Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor. Structure 2007 15 553 564 2QQC 18391404 E109Q mutant of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii 2007-07-26 2008-03-18 Soriano, E.V.,McCloskey, D.E.,Kinsland, C.,Pegg, A.E.,Ealick, S.E. Structures of the N47A and E109Q mutant proteins of pyruvoyl-dependent arginine decarboxylase from Methanococcus jannaschii. Acta Crystallogr.,Sect.D 2008 64 377 382 2QQD 18391404 N47A mutant of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii 2007-07-26 2008-03-18 Soriano, E.V.,McCloskey, D.E.,Kinsland, C.,Pegg, A.E.,Ealick, S.E. Structures of the N47A and E109Q mutant proteins of pyruvoyl-dependent arginine decarboxylase from Methanococcus jannaschii. Acta Crystallogr.,Sect.D 2008 64 377 382 2QRZ 18348980 Cdc42 bound to GMP-PCP: Induced Fit by Effector is Required 2007-07-30 2008-03-18 Phillips, M.J.,Calero, G.,Chan, B.,Ramachandran, S.,Cerione, R.A. Effector Proteins Exert an Important Influence on the Signaling-active State of the Small GTPase Cdc42. J.Biol.Chem. 2008 283 14153 14164 3BRE 18366254 Crystal Structure of P.aeruginosa PA3702 2007-12-21 2008-04-01 De, N.,Pirruccello, M.,Krasteva, P.V.,Bae, N.,Raghavan, R.V.,Sondermann, H. Phosphorylation-independent regulation of the diguanylate cyclase WspR. Plos Biol. 2008 6 0 0 2HJO Crystal structure of V224H design intermediate for GFP metal ion reporter 2006-06-30 2008-04-08 Barondeau, D.P.,Tubbs, J.L.,Tainer, J.A.,Getzoff, E.D. Iterative Structure-Based Design of a Green Fluorescent Protein Metal Ion Reporter To be Published 0 0 0 0 3CN8 Crystal structure of fms1 in complex with spermidine 2008-03-25 2008-04-22 Huang, Q.,Hao, Q. Crystal structure of fms1 in complex with spermidine TO BE PUBLISHED 0 0 0 0 3CND Crystal structure of fms1 in complex with N1-AcSpermine 2008-03-25 2008-04-22 Huang, Q.,Hao, Q. Crystal structure of fms1 in complex with N1-AcSpermine TO BE PUBLISHED 0 0 0 0 2R1A 18534617 Crystal structure of the periplasmic lipopolysaccharide transport protein LptA (YhbN), trigonal form 2007-08-22 2008-04-29 Suits, M.D.,Sperandeo, P.,Deho, G.,Polissi, A.,Jia, Z. Novel structure of the conserved gram-negative lipopolysaccharide transport protein A and mutagenesis analysis. J.Mol.Biol. 2008 380 476 488 2R1A 18534617 Crystal structure of the periplasmic lipopolysaccharide transport protein LptA (YhbN), trigonal form 2007-08-22 2008-04-29 Suits, M.D.,Sperandeo, P.,Deho, G.,Polissi, A.,Jia, Z. Novel structure of the conserved gram-negative lipopolysaccharide transport protein A and mutagenesis analysis. J.Mol.Biol. 2008 380 476 488 3CIO 18497741 The kinase domain of Escherichia coli tyrosine kinase ETK 2008-03-11 2008-06-03 Lee, D.C.,Zheng, J.,She, Y.M.,Jia, Z. Structure of Escherichia coli tyrosine kinase Etk reveals a novel activation mechanism. Embo J. 2008 27 1758 1766 3CIB 18468890 Structure of BACE Bound to SCH727596 2008-03-11 2008-06-10 Cumming, J.N.,Le, T.X.,Babu, S.,Carroll, C.,Chen, X.,Favreau, L.,Gaspari, P.,Guo, T.,Hobbs, D.W.,Huang, Y.,Iserloh, U.,Kennedy, M.E.,Kuvelkar, R.,Li, G.,Lowrie, J.,McHugh, N.A.,Ozgur, L.,Pan, J.,Parker, E.M.,Saionz, K.,Stamford, A.W.,Strickland, C.,Tadesse, D.,Voigt, J.,Wang, L.,Wu, Y.,Zhang, L.,Zhang, Q. Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett. 2008 18 3236 3241 3CV5 18599462 GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with 3alpha,6alpha-mannopentaose 2008-04-17 2008-06-24 Shah, N.,Kuntz, D.A.,Rose, D.R. Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site. Proc.Natl.Acad.Sci.Usa 2008 105 9570 9575 3CZN 18599462 Golgi alpha-mannosidase II (D204A nucleophile mutant) in complex with GnMan5Gn 2008-04-29 2008-06-24 Shah, N.,Kuntz, D.A.,Rose, D.R. Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site. Proc.Natl.Acad.Sci.Usa 2008 105 9570 9575 3CZS 18599462 Golgi alpha-mannosidase II (D204A nucleophile mutant) 2008-04-29 2008-06-24 Shah, N.,Kuntz, D.A.,Rose, D.R. Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site. Proc.Natl.Acad.Sci.Usa 2008 105 9570 9575 2R28 18384083 The complex Structure of Calmodulin Bound to a Calcineurin Peptide 2007-08-24 2008-07-01 Ye, Q.,Wang, H.,Zheng, J.,Wei, Q.,Jia, Z. The complex structure of calmodulin bound to a calcineurin peptide. Proteins 2008 73 19 27 3BUB 18558690 Golgi alpha-mannosidase II with an empty active site 2008-01-02 2008-07-01 Zhong, W.,Kuntz, D.A.,Ember, B.,Singh, H.,Moremen, K.W.,Rose, D.R.,Boons, G.J. Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant. J.Am.Chem.Soc. 2008 130 8975 8983 3BVT 18558690 GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl (alpha-D-mannopyranosyl)-(1->3)-S-alpha-D-mannopyranoside 2008-01-07 2008-07-01 Zhong, W.,Kuntz, D.A.,Ember, B.,Singh, H.,Moremen, K.W.,Rose, D.R.,Boons, G.J. Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant. J.Am.Chem.Soc. 2008 130 8975 8983 3BVU 18558690 GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl(alpha-D-mannopyranosyl)-(1->3)-S-[(alpha-D-mannopyranosyl)-(1->6)]-alpha-D-mannopyranoside 2008-01-07 2008-07-01 Zhong, W.,Kuntz, D.A.,Ember, B.,Singh, H.,Moremen, K.W.,Rose, D.R.,Boons, G.J. Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant. J.Am.Chem.Soc. 2008 130 8975 8983 3BVV 18558690 Golgi mannosidase II D204A catalytic nucleophile mutant complex with METHYL ALPHA-D-MANNOPYRANOSYL-(1->3)-[6-THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)]-BETA-D-MANNOPYRANOSIDE 2008-01-07 2008-07-01 Zhong, W.,Kuntz, D.A.,Ember, B.,Singh, H.,Moremen, K.W.,Rose, D.R.,Boons, G.J. Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant. J.Am.Chem.Soc. 2008 130 8975 8983 3BVX 18558690 GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl (2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-(alpha-D-mannopyranosyl)- (1->3)-[(alpha-D-mannopyranosyl)-(1->6)-(alpha-D-mannopyranosyl)-(1->6)]-beta-D-mannopyranoside 2008-01-07 2008-07-01 Zhong, W.,Kuntz, D.A.,Ember, B.,Singh, H.,Moremen, K.W.,Rose, D.R.,Boons, G.J. Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant. J.Am.Chem.Soc. 2008 130 8975 8983 3CGS 18435545 X-ray structure containing the pseudouridylated U2 snRNA and mammalian intron branch site consensus sequences 2008-03-06 2008-07-01 Lin, Y.,Kielkopf, C.L. X-ray structures of U2 snRNA-branchpoint duplexes containing conserved pseudouridines. Biochemistry 2008 47 5503 5514 3DDF 18599296 GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) pyrrolidin-2-one 2008-06-05 2008-07-01 Fiaux, H.,Kuntz, D.A.,Hoffman, D.,Janzer, R.C.,Gerber-Lemaire, S.,Rose, D.R.,Juillerat-Jeanneret, L. Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site Bioorg.Med.Chem. 2008 16 7337 7346 3D4Y 18759458 GOLGI MANNOSIDASE II complex with mannoimidazole 2008-05-15 2008-08-05 Kuntz, D.A.,Tarling, C.A.,Withers, S.G.,Rose, D.R. Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen. Biochemistry 2008 47 10058 10068 3D51 18759458 GOLGI MANNOSIDASE II complex with gluco-hydroxyiminolactam 2008-05-15 2008-08-05 Kuntz, D.A.,Tarling, C.A.,Withers, S.G.,Rose, D.R. Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen. Biochemistry 2008 47 10058 10068 3D52 18759458 GOLGI MANNOSIDASE II complex with an N-aryl carbamate derivative of gluco-hydroxyiminolactam 2008-05-15 2008-08-05 Kuntz, D.A.,Tarling, C.A.,Withers, S.G.,Rose, D.R. Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen. Biochemistry 2008 47 10058 10068 3B5A 18596253 Crystal Structure of a Minimally Hinged Hairpin Ribozyme Incorporating A38G mutation with a 2'OMe modification at the active site 2007-10-25 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 3B5S 18596253 Minimally Hinged Hairpin Ribozyme Incorporates A38DAP Mutation and 2'-O-methyl Modification at the Active Site 2007-10-26 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 3CR1 18596253 crystal structure of a minimal, mutant, all-RNA hairpin ribozyme (A38C, A-1OMA) grown from MgCl2 2008-04-04 2008-08-26 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 2VC2 18710925 Re-refinement of Integrin AlphaIIbBeta3 Headpiece Bound to Antagonist L-739758 2007-09-18 2008-09-02 Springer, T.A.,Zhu, J.,Xiao, T. Structural Basis for Distinctive Recognition of Fibrinogen Gammac Peptide by the Platelet Integrin Alphaiibbeta3. J.Cell Biol. 2008 182 791 0 2VDM 18710925 Re-refinement of Integrin AlphaIIbBeta3 Headpiece Bound to Antagonist Tirofiban 2007-10-10 2008-09-02 Springer, T.A.,Zhu, J.,Xiao, T. Structural Basis for Distinctive Recognition of Fibrinogen Gammac Peptide by the Platelet Integrin Alphaiibbeta3. J.Cell Biol. 2008 182 791 0 2VDN 18710925 Re-refinement of Integrin AlphaIIbBeta3 Headpiece Bound to Antagonist Eptifibatide 2007-10-10 2008-09-02 Springer, T.A.,Zhu, J.,Xiao, T. Structural Basis for Distinctive Recognition of Fibrinogen Gammac Peptide by the Platelet Integrin Alphaiibbeta3. J.Cell Biol. 2008 182 791 0 3D92 18768466 Human carbonic anhydrase II bound with substrate carbon dioxide 2008-05-26 2008-09-02 Domsic, J.F.,Avvaru, B.S.,Kim, C.U.,Gruner, S.M.,Agbandje-McKenna, M.,Silverman, D.N.,McKenna, R. Entrapment of carbon dioxide in the active site of carbonic anhydrase II J.Biol.Chem. 2008 283 30766 30771 3D93 18768466 Apo Human carbonic anhydrase II bound with substrate carbon dioxide 2008-05-26 2008-09-02 Domsic, J.F.,Avvaru, B.S.,Kim, C.U.,Gruner, S.M.,Agbandje-McKenna, M.,Silverman, D.N.,McKenna, R. Entrapment of carbon dioxide in the active site of carbonic anhydrase II J.Biol.Chem. 2008 283 30766 30771 3DYT 18940612 Crystal structure of Snx9PX-BAR (230-595), C2221 2008-07-28 2008-09-16 Wang, Q.,Kaan, H.Y.,Hooda, R.N.,Goh, S.L.,Sondermann, H. Structure and plasticity of endophilin and sorting nexin 9. Structure 2008 16 1574 1587 2ZD8 18761444 SHV-1 class A beta-lactamase complexed with meropenem 2007-11-20 2008-09-30 Nukaga, M.,Bethel, C.R.,Thomson, J.M.,Hujer, A.M.,Distler, A.,Anderson, V.E.,Knox, J.R.,Bonomo, R.A. Inhibition of class A beta-lactamases by carbapenems: crystallographic observation of two conformations of meropenem in SHV-1. J.Am.Chem.Soc. 2008 130 12656 12662 2ZD8 18761444 SHV-1 class A beta-lactamase complexed with meropenem 2007-11-20 2008-09-30 Nukaga, M.,Bethel, C.R.,Thomson, J.M.,Hujer, A.M.,Distler, A.,Anderson, V.E.,Knox, J.R.,Bonomo, R.A. Inhibition of class A beta-lactamases by carbapenems: crystallographic observation of two conformations of meropenem in SHV-1. J.Am.Chem.Soc. 2008 130 12656 12662 3ES3 18991401 Directing Noble Metal Ion Chemistry within a Designed Ferritin Protein. The Complex with Gold ions. Ferritin H8-H9x Mutant 2008-10-03 2008-10-21 Butts, C.A.,Swift, J.,Kang, S.G.,Di Costanzo, L.,Christianson, D.W.,Saven, J.G.,Dmochowski, I.J. Directing noble metal ion chemistry within a designed ferritin protein. Biochemistry 2008 47 12729 12739 3DZF 18940667 Crystal structure of human CD38 extracellular domain complexed with a covalent intermediate, ara-F-ribose-5'-phosphate 2008-07-29 2008-11-04 Liu, Q.,Kriksunov, I.A.,Jiang, H.,Graeff, R.,Lin, H.,Lee, H.C.,Hao, Q. Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol. 2008 15 1068 1078 3DZG 18940667 Crystal structure of human CD38 extracellular domain, ara-F-ribose-5'-phosphate/nicotinamide complex 2008-07-29 2008-11-04 Liu, Q.,Kriksunov, I.A.,Jiang, H.,Graeff, R.,Lin, H.,Lee, H.C.,Hao, Q. Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol. 2008 15 1068 1078 3DZH 18940667 Crystal structure of human CD38 extracellular domain, GTP complex 2008-07-29 2008-11-04 Liu, Q.,Kriksunov, I.A.,Jiang, H.,Graeff, R.,Lin, H.,Lee, H.C.,Hao, Q. Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol. 2008 15 1068 1078 3DZI 18940667 Crystal structure of human CD38 extracellular domain, ribose-5'-phosphate intermediate/GTP complex 2008-07-29 2008-11-04 Liu, Q.,Kriksunov, I.A.,Jiang, H.,Graeff, R.,Lin, H.,Lee, H.C.,Hao, Q. Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol. 2008 15 1068 1078 3DZJ 18940667 Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex 2008-07-29 2008-11-04 Liu, Q.,Kriksunov, I.A.,Jiang, H.,Graeff, R.,Lin, H.,Lee, H.C.,Hao, Q. Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol. 2008 15 1068 1078 3DZK 18940667 Crystal structure of human CD38 extracellular domain, NMN complex 2008-07-29 2008-11-04 Liu, Q.,Kriksunov, I.A.,Jiang, H.,Graeff, R.,Lin, H.,Lee, H.C.,Hao, Q. Covalent and Noncovalent Intermediates of an NAD Utilizing Enzyme, Human CD38. Chem.Biol. 2008 15 1068 1078 3BLP Role of aromatic residues in human salivary alpha-amylase 2007-12-11 2008-11-18 Ragunath, C.,Kasinathan, C.,Manuel, S.G.A.,Ramasubbu, N. Structure-function relationships in human salivary alpha-amylase: role of aromatic residues in a secondary binding site Biologia 2008 63 1028 1034 3F6Y 19117080 Conformational Closure of the Catalytic Site of Human CD38 Induced by Calcium 2008-11-07 2008-11-18 Liu, Q.,Graeff, R.,Kriksunov, I.A.,Lam, C.M.C.,Lee, H.C.,Hao, Q. Conformational Closure of the Catalytic Site of Human CD38 Induced by Calcium Biochemistry 2008 47 13966 13973 3BLK Role of aromatic residues in starch binding 2007-12-11 2008-11-25 Ragunath, C.,Manuel, S.G.A.,Kasinathan, C.,Ramasubbu, N. Structure-function relationships in human salivary alpha-amylase: role of aromatic residues in a secondary binding site Biologia 2008 63 1028 1034 3DLN 19003990 Crystal structure of the binding domain of the AMPA subunit GluR3 bound to glutamate 2008-06-27 2008-11-25 Ahmed, A.H.,Wang, Q.,Sondermann, H.,Oswald, R.E. Structure of the S1S2 glutamate binding domain of GLuR3. Proteins 2008 75 628 637 3DP4 19003990 Crystal structure of the binding domain of the AMPA subunit GluR3 bound to AMPA 2008-07-07 2008-11-25 Ahmed, A.H.,Wang, Q.,Sondermann, H.,Oswald, R.E. Structure of the S1S2 glutamate binding domain of GLuR3. Proteins 2008 75 628 637 3DP6 19003990 Crystal structure of the binding domain of the AMPA subunit GluR2 bound to glutamate 2008-07-07 2008-11-25 Ahmed, A.H.,Wang, Q.,Sondermann, H.,Oswald, R.E. Structure of the S1S2 glutamate binding domain of GLuR3. Proteins 2008 75 628 637 3E8Q 19093830 X-ray structure of rat arginase I-T135A: the unliganded complex 2008-08-20 2008-12-02 Shishova, E.Y.,Di Costanzo, L.,Emig, F.A.,Ash, D.E.,Christianson, D.W. Probing the specificity determinants of amino acid recognition by arginase. Biochemistry 2009 48 121 131 2JLD 19035373 Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 2008-09-08 2008-12-09 Atilla-Gokcumen, G.E.,Pagano, N.,Streu, C.,Maksimoska, J.,Filippakopoulos, P.,Knapp, S.,Meggers, E. Extremely Tight Binding of a Ruthenium Complex to Glycogen Synthase Kinase 3. Chembiochem 2008 9 2933 0 3EVP 19081058 crystal structure of circular-permutated EGFP 2008-10-13 2008-12-09 Wang, Q.,Shui, B.,Kotlikoff, M.I.,Sondermann, H. Structural Basis for Calcium Sensing by GCaMP2. Structure 2008 16 1817 1827 3EVR 19081058 Crystal structure of Calcium bound monomeric GCAMP2 2008-10-13 2008-12-09 Wang, Q.,Shui, B.,Kotlikoff, M.I.,Sondermann, H. Structural Basis for Calcium Sensing by GCaMP2. Structure 2008 16 1817 1827 3EVU 19081058 Crystal structure of Calcium bound dimeric GCAMP2 2008-10-13 2008-12-09 Wang, Q.,Shui, B.,Kotlikoff, M.I.,Sondermann, H. Structural Basis for Calcium Sensing by GCaMP2. Structure 2008 16 1817 1827 3EVV 19081058 Crystal Structure of Calcium bound dimeric GCAMP2 (#2) 2008-10-13 2008-12-09 Wang, Q.,Shui, B.,Kotlikoff, M.I.,Sondermann, H. Structural Basis for Calcium Sensing by GCaMP2. Structure 2008 16 1817 1827 3BSE 18992257 Crystal structure analysis of a 16-base-pair B-DNA 2007-12-23 2008-12-23 Narayana, N.,Weiss, M.A. Crystallographic Analysis of a Sex-Specific Enhancer Element: Sequence-Dependent DNA Structure, Hydration, and Dynamics J.Mol.Biol. 2009 385 469 490 3EP3 19053272 Human AdoMetDC D174N mutant with no putrescine bound 2008-09-29 2008-12-23 Bale, S.,Lopez, M.M.,Makhatadze, G.I.,Fang, Q.,Pegg, A.E.,Ealick, S.E. Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase. Biochemistry 2008 47 13404 13417 3EP4 19053272 Human AdoMetDC E256Q mutant with no putrescine bound 2008-09-29 2008-12-23 Bale, S.,Lopez, M.M.,Makhatadze, G.I.,Fang, Q.,Pegg, A.E.,Ealick, S.E. Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase. Biochemistry 2008 47 13404 13417 3EP5 19053272 Human AdoMetDC E178Q mutant with no putrescine bound 2008-09-29 2008-12-23 Bale, S.,Lopez, M.M.,Makhatadze, G.I.,Fang, Q.,Pegg, A.E.,Ealick, S.E. Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase. Biochemistry 2008 47 13404 13417 3FCU 19111664 Structure of headpiece of integrin aIIBb3 in open conformation 2008-11-22 2009-01-20 Zhu, J.,Luo, B.H.,Xiao, T.,Zhang, C.,Nishida, N.,Springer, T.A. Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces. Mol.Cell 2008 32 849 861 3D4K 19053475 Concanavalin A Complexed to a Synthetic Analog of the Trimannoside 2008-05-14 2009-03-03 Kadirvelraj, R.,Foley, B.L.,Dyekjaer, J.D.,Woods, R.J. Involvement of water in carbohydrate-protein binding: concanavalin A revisited. J.Am.Chem.Soc. 2008 130 16933 16942 3DZ2 19209891 Human AdoMetDC with 5'-[(3-aminopropyl)methylamino]-5'deoxy-8-methyladenosine 2008-07-29 2009-03-10 McCloskey, D.E.,Bale, S.,Secrist III, J.A.,Tiwari, A.,Moss III, T.H.,Valiyaveettil, J.,Brooks, W.H.,Guida, W.C.,Pegg, A.E.,Ealick, S.E. New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem. 2009 52 1388 1407 3DZ4 19209891 Human AdoMetDC with 5'-[(2-carboxamidoethyl)methylamino]-5'-deoxy-8-methyladenosine 2008-07-29 2009-03-10 McCloskey, D.E.,Bale, S.,Secrist III, J.A.,Tiwari, A.,Moss III, T.H.,Valiyaveettil, J.,Brooks, W.H.,Guida, W.C.,Pegg, A.E.,Ealick, S.E. New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem. 2009 52 1388 1407 3DA7 19260676 A conformationally strained, circular permutant of barnase 2008-05-28 2009-04-14 Butler, J.S.,Mitrea, D.M.,Mitrousis, G.,Cingolani, G.,Loh, S.N. Structural and thermodynamic analysis of a conformationally strained circular permutant of barnase. Biochemistry 2009 48 3497 3507 3CUI Cellulomonas fimi Xylanase/Cellulase Cex (Cf Xyn10A) in complex with sulfur substituted beta-1,4 xylotetraose 2008-04-16 2009-04-21 Poon, D.K.Y.,D'Angelo, I.D.,Kuntz, D.A.,Kantner, T.,Ludkiwzek, M.L.,Tarling, C.,Rose, D.R.,Saul, M.,McIntosh, L.P.,Withers, S.G. Probing the binding sites of Family 10 and 11 Xylanases with extended Oligosaccharides to be published 0 0 0 0 3H03 19284741 Crystal structure of the binding domain of the AMPA subunit GluR2 bound to UBP277 2009-04-08 2009-05-05 Ahmed, A.H.,Thompson, M.D.,Fenwick, M.K.,Romero, B.,Loh, A.P.,Jane, D.E.,Sondermann, H.,Oswald, R.E. Mechanisms of antagonism of the GluR2 AMPA receptor: structure and dynamics of the complex of two willardiine antagonists with the glutamate binding domain. Biochemistry 2009 48 3894 3903 3H06 19284741 Crystal structure of the binding domain of the AMPA subunit GluR2 bound to the willardiine antagonist, UBP282 2009-04-08 2009-05-05 Ahmed, A.H.,Thompson, M.D.,Fenwick, M.K.,Romero, B.,Loh, A.P.,Jane, D.E.,Sondermann, H.,Oswald, R.E. Mechanisms of antagonism of the GluR2 AMPA receptor: structure and dynamics of the complex of two willardiine antagonists with the glutamate binding domain. Biochemistry 2009 48 3894 3903 3HKO Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40 2009-05-25 2009-06-02 Wernimont, A.K.,Hutchinson, A.,Wasney, G.,Vedadi, M.,MacKenzie, F.,Kozieradzki, I.,Cossar, D.,Weigelt, J.,Edwards, A.M.,Arrowsmith, C.H.,Bountra, C.,Botchkarev, A.,Hui, R.,Amani, M. Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40 To be Published 0 0 0 0 3HAI 19549836 Crystal structure of human PACSIN1 F-BAR domain (P21 lattice) 2009-05-01 2009-06-16 Wang, Q.,Navarro, M.V.,Peng, G.,Molinelli, E.,Lin Goh, S.,Judson, B.L.,Rajashankar, K.R.,Sondermann, H. Molecular mechanism of membrane constriction and tubulation mediated by the F-BAR protein Pacsin/Syndapin. Proc.Natl.Acad.Sci.USA 2009 106 12700 12705 3DX1 19101978 Golgi alpha-Mannosidase II in complex with Mannostatin analog (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol 2008-07-23 2009-07-07 Kuntz, D.A.,Zhong, W.,Guo, J.,Rose, D.R.,Boons, G.J. The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A. Chembiochem 2009 10 268 277 3DX2 19101978 Golgi mannosidase II complex with MANNOSTATIN B 2008-07-23 2009-07-07 Kuntz, D.A.,Zhong, W.,Guo, J.,Rose, D.R.,Boons, G.J. The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A. Chembiochem 2009 10 268 277 3DX3 19101978 Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetraol 2008-07-23 2009-07-07 Kuntz, D.A.,Zhong, W.,Guo, J.,Rose, D.R.,Boons, G.J. The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A. Chembiochem 2009 10 268 277 3DX4 19101978 Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol 2008-07-23 2009-07-07 Kuntz, D.A.,Zhong, W.,Guo, J.,Rose, D.R.,Boons, G.J. The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A. Chembiochem 2009 10 268 277 3GZ0 19583303 Apo-human carbonic anhydrase II revisited: Implications of the loss of a metal in protein structure, stability and solvent network 2009-04-06 2009-07-21 Avvaru, B.S.,Busby, S.A.,Chalmers, M.J.,Griffin, P.R.,Venkatakrishnan, B.,Agbandje-McKenna, M.,Silverman, D.N.,McKenna, R. Apo-Human Carbonic Anhydrase II Revisited: Implications of the Loss of a Metal in Protein Structure, Stability, and Solvent Network . Biochemistry 2009 48 7365 7372 3HOK 19601578 X-ray Crystal Structure of Human Heme Oxygenase-1 with (2R, 4S)-2-[2-(4-Chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4[((5-trifluoromethylpyridin-2-yl)thio)methyl]-1,3-dioxolane: A Novel, Inducible Binding Mode 2009-06-02 2009-07-28 Rahman, M.N.,Vlahakis, J.Z.,Vukomanovic, D.,Szarek, W.A.,Nakatsu, K.,Jia, Z. X-ray crystal structure of human heme oxygenase-1 with (2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4[((5-trifluoromethylpyridin-2-yl)thio)methyl]-1,3-dioxolane: a novel, inducible binding mode. J.Med.Chem. 2009 52 4946 4950 3I5G 17502101 Crystal structure of rigor-like squid myosin S1 2009-07-05 2009-07-28 Yang, Y.,Gourinath, S.,Kovacs, M.,Nyitray, L.,Reutzel, R.,Himmel, D.M.,O'Neall-Hennessey, E.,Reshetnikova, L.,Szent-Gyorgyi, A.G.,Brown, J.H.,Cohen, C. Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor. Structure 2007 15 553 564 3I5H 17502101 The crystal structure of rigor like squid myosin S1 in the absence of nucleotide 2009-07-05 2009-07-28 Yang, Y.,Gourinath, S.,Kovacs, M.,Nyitray, L.,Reutzel, R.,Himmel, D.M.,O'Neall-Hennessey, E.,Reshetnikova, L.,Szent-Gyorgyi, A.G.,Brown, J.H.,Cohen, C. Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor. Structure 2007 15 553 564 3I5I 17502101 The crystal structure of squid myosin S1 in the presence of SO4 2- 2009-07-05 2009-07-28 Yang, Y.,Gourinath, S.,Kovacs, M.,Nyitray, L.,Reutzel, R.,Himmel, D.M.,O'Neall-Hennessey, E.,Reshetnikova, L.,Szent-Gyorgyi, A.G.,Brown, J.H.,Cohen, C. Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor. Structure 2007 15 553 564 3I9J 19640846 Crystal structure of ADP ribosyl cyclase complexed with a substrate analog and a product nicotinamide 2009-07-12 2009-07-28 Liu, Q.,Graeff, R.,Kriksunov, I.A.,Jiang, H.,Zhang, B.,Oppenheimer, N.,Lin, H.,Potter, B.V.L.,Lee, H.C.,Hao, Q. Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem. 2009 284 27637 27645 3I9K 19640846 Crystal structure of ADP ribosyl cyclase complexed with substrate NAD 2009-07-12 2009-07-28 Liu, Q.,Graeff, R.,Kriksunov, I.A.,Jiang, H.,Zhang, B.,Oppenheimer, N.,Lin, H.,Potter, B.V.L.,Lee, H.C.,Hao, Q. Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem. 2009 284 27637 27645 3I9L 19640846 Crystal structure of ADP ribosyl cyclase complexed with N1-cIDPR 2009-07-12 2009-07-28 Liu, Q.,Graeff, R.,Kriksunov, I.A.,Jiang, H.,Zhang, B.,Oppenheimer, N.,Lin, H.,Potter, B.V.L.,Lee, H.C.,Hao, Q. Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem. 2009 284 27637 27645 3I9M 19640846 Crystal structure of human CD38 complexed with an analog ara-2'F-ADPR 2009-07-12 2009-07-28 Liu, Q.,Graeff, R.,Kriksunov, I.A.,Jiang, H.,Zhang, B.,Oppenheimer, N.,Lin, H.,Potter, B.V.L.,Lee, H.C.,Hao, Q. Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem. 2009 284 27637 27645 3I9N 19640846 Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose 2009-07-12 2009-07-28 Liu, Q.,Graeff, R.,Kriksunov, I.A.,Jiang, H.,Zhang, B.,Oppenheimer, N.,Lin, H.,Potter, B.V.L.,Lee, H.C.,Hao, Q. Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem. 2009 284 27637 27645 3I9O 19640843 Crystal structure of ADP ribosyl cyclase complexed with ribo-2'F-ADP ribose 2009-07-12 2009-07-28 Graeff, R.,Liu, Q.,Kriksunov, I.A.,Kotaka, M.,Oppenheimer, N.,Hao, Q.,Lee, H.C. Mechanism of cyclizing NAD to cyclic ADP-ribose by ADP-ribosyl cyclase and CD38 J.Biol.Chem. 2009 284 27629 27636 3IA3 19706593 A cis-proline in alpha-hemoglobin stabilizing Protein directs the structural reorganization of alpha-hemoglobin 2009-07-13 2009-07-28 Gell, D.A.,Feng, L.,Zhou, S.,Jeffrey, P.D.,Bendak, K.,Gow, A.,Weiss, M.J.,Shi, Y.,Mackay, J.P. A cis-proline in alpha-hemoglobin stabilizing protein directs the structural reorganization of alpha-hemoglobin. J.Biol.Chem. 2009 284 29462 29469 3I5F 17502101 Crystal structure of squid MG.ADP myosin S1 2009-07-05 2009-08-04 Yang, Y.,Gourinath, S.,Kovacs, M.,Nyitray, L.,Reutzel, R.,Himmel, D.M.,O'Neall-Hennessey, E.,Reshetnikova, L.,Szent-Gyorgyi, A.G.,Brown, J.H.,Cohen, C. Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor. Structure 2007 15 553 564 3HVA 19679088 Crystal structure of FimX GGDEF domain from Pseudomonas aeruginosa 2009-06-15 2009-08-18 Navarro, M.V.,De, N.,Bae, N.,Wang, Q.,Sondermann, H. Structural analysis of the GGDEF-EAL domain-containing c-di-GMP receptor FimX. Structure 2009 17 1104 1116 3I5A 19695263 Crystal structure of full-length WpsR from Pseudomonas syringae 2009-07-03 2009-08-18 De, N.,Navarro, M.V.,Raghavan, R.V.,Sondermann, H. Determinants for the activation and autoinhibition of the diguanylate cyclase response regulator WspR. J.Mol.Biol. 2009 393 619 633 3I5B 19695263 Crystal structure of the isolated GGDEF domain of WpsR from Pseudomonas aeruginosa 2009-07-03 2009-08-18 De, N.,Navarro, M.V.,Raghavan, R.V.,Sondermann, H. Determinants for the activation and autoinhibition of the diguanylate cyclase response regulator WspR. J.Mol.Biol. 2009 393 619 633 3I5C 19695263 Crystal structure of a fusion protein containing the leucine zipper of GCN4 and the GGDEF domain of WspR from Pseudomonas aeruginosa 2009-07-03 2009-08-18 De, N.,Navarro, M.V.,Raghavan, R.V.,Sondermann, H. Determinants for the activation and autoinhibition of the diguanylate cyclase response regulator WspR. J.Mol.Biol. 2009 393 619 633 3GZH 19724117 Crystal structure of phosphate-bound adenylosuccinate lyase from E. coli 2009-04-07 2009-08-25 Kozlov, G.,Nguyen, L.,Pearsall, J.,Gehring, K. The structure of phosphate-bound Escherichia coli adenylosuccinate lyase identifies His171 as a catalytic acid. Acta Crystallogr.,Sect.F 2009 65 857 861 3I8Z Crystal structure of human chromobox homolog 4 (CBX4) 2009-07-10 2009-08-25 Zhihong, L.,Amaya, M.F.,Loppnau, P.,Kozieradzki, I.,Edwards, A.M.,Arrowsmith, C.H.,Weigelt, J.,Bountra, C.,Bochkarev, A.,Min, J.,Ouyang, H.,Structural Genomics Consortium (SGC) Crystal structure of human chromobox homolog 4 (CBX4) To be Published 0 0 0 0 3IJO 19673491 Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, althiazide 2009-08-04 2009-09-15 Ptak, C.P.,Ahmed, A.H.,Oswald, R.E. Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry 2009 48 8594 8602 3IJX 19673491 Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, hydrochlorothiazide 2009-08-05 2009-09-15 Ptak, C.P.,Ahmed, A.H.,Oswald, R.E. Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry 2009 48 8594 8602 3IK6 19673491 Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, chlorothiazide 2009-08-05 2009-09-15 Ptak, C.P.,Ahmed, A.H.,Oswald, R.E. Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry 2009 48 8594 8602 3IL1 19673491 Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, IDRA-21 2009-08-06 2009-09-15 Ptak, C.P.,Ahmed, A.H.,Oswald, R.E. Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry 2009 48 8594 8602 3ILT 19673491 Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, trichlormethiazide 2009-08-07 2009-09-15 Ptak, C.P.,Ahmed, A.H.,Oswald, R.E. Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry 2009 48 8594 8602 3ILU 19673491 Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, hydroflumethiazide 2009-08-07 2009-09-15 Ptak, C.P.,Ahmed, A.H.,Oswald, R.E. Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry 2009 48 8594 8602 3EJS 20209559 Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5S)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine 2008-09-18 2009-10-13 Kuntz, D.A.,Nakayama, S.,Shea, K.,Hori, H.,Uto, Y.,Nagasawa, H.,Rose, D.R. Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II. Chembiochem 2010 11 673 680 3EJT 20209559 Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5R)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine 2008-09-18 2009-10-13 Kuntz, D.A.,Nakayama, S.,Shea, K.,Hori, H.,Uto, Y.,Nagasawa, H.,Rose, D.R. Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II. Chembiochem 2010 11 673 680 3EJU 20209559 Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5S)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-swainsonine 2008-09-18 2009-10-13 Kuntz, D.A.,Nakayama, S.,Shea, K.,Hori, H.,Uto, Y.,Nagasawa, H.,Rose, D.R. Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II. Chembiochem 2010 11 673 680 3JWP Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP 2009-09-18 2009-10-20 Wernimont, A.K.,Hutchinson, A.,Lin, Y.H.,MacKenzie, F.,Senisterra, G.,Allali-Hassanali, A.,Vedadi, M.,Ravichandran, M.,Cossar, D.,Kozieradzki, I.,Zhao, Y.,Schapira, M.,Arrowsmith, C.H.,Bountra, C.,Weigelt, J.,Edwards, A.M.,Hui, R.,Qiu, W.,Brand, V. Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP TO BE PUBLISHED 0 0 0 0 3JWP Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP 2009-09-18 2009-10-20 Wernimont, A.K.,Hutchinson, A.,Lin, Y.H.,MacKenzie, F.,Senisterra, G.,Allali-Hassanali, A.,Vedadi, M.,Ravichandran, M.,Cossar, D.,Kozieradzki, I.,Zhao, Y.,Schapira, M.,Arrowsmith, C.H.,Bountra, C.,Weigelt, J.,Edwards, A.M.,Hui, R.,Qiu, W.,Brand, V. Crystal structure of Plasmodium falciparum SIR2A (PF13_0152) in complex with AMP TO BE PUBLISHED 0 0 0 0 3GQ3 20010681 MutM encountering an intrahelical 8-oxoguanine (oxoG) lesion in EC5-loop deletion complex 2009-03-23 2009-11-10 Qi, Y.,Spong, M.C.,Nam, K.,Banerjee, A.,Jiralerspong, S.,Karplus, M.,Verdine, G.L. Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme. Nature 2009 462 762 766 3IQL 20064468 Crystal structure of the rat endophilin-A1 SH3 domain 2009-08-20 2009-11-10 Trempe, J.F.,Chen, C.X.,Grenier, K.,Camacho, E.M.,Kozlov, G.,McPherson, P.S.,Gehring, K.,Fon, E.A. SH3 domains from a subset of BAR proteins define a Ubl-binding domain and implicate parkin in synaptic ubiquitination. Mol.Cell 2009 36 1034 1047 2W3A HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND TRIMETHOPRIM 2008-11-10 2009-11-17 Leung, A.K.W.,Ross, L.J.,Zywno-Van Ginkel, S.,Reynolds, R.C.,Seitz, L.E.,Pathak, V.,Barrow, W.W.,White, E.L.,Suling, W.J.,Piper, J.R.,Borhani, D.W. Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate To be Published 0 0 0 0 2W3M HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND FOLATE 2008-11-13 2009-11-17 Leung, A.K.W.,Ross, L.J.,Zywno-Van Ginkel, S.,Reynolds, R.C.,Seitz, L.E.,Pathak, V.,Barrow, W.W.,White, E.L.,Suling, W.J.,Piper, J.R.,Borhani, D.W. Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate To be Published 0 0 0 0 3JTD 19769984 Calcium-free Scallop Myosin Regulatory Domain with ELC-D19A Point Mutation 2009-09-11 2009-12-01 Himmel, D.M.,Mui, S.,O'Neall-Hennessey, E.,Szent-Gyorgyi, A.G.,Cohen, C. The on-off switch in regulated myosins: different triggers but related mechanisms. J.Mol.Biol. 2009 394 496 505 3HS4 19851004 Human carbonic anhydrase II complexed with acetazolamide 2009-06-10 2009-12-08 Sippel, K.H.,Robbins, A.H.,Domsic, J.,Genis, C.,Agbandje-McKenna, M.,McKenna, R. High-resolution structure of human carbonic anhydrase II complexed with acetazolamide reveals insights into inhibitor drug design. Acta Crystallogr.,Sect.F 2009 65 992 995 3FPZ 22031445 Saccharomyces cerevisiae THI4p is a suicide thiamin thiazole synthase 2009-01-06 2010-01-19 Chatterjee, A.,Abeydeera, N.D.,Bale, S.,Pai, P.J.,Dorrestein, P.C.,Russell, D.H.,Ealick, S.E.,Begley, T.P. Saccharomyces cerevisiae THI4p is a suicide thiamine thiazole synthase. Nature 2011 478 542 546 3KS3 20000378 High resolution structure of Human Carbonic Anhydrase II at 0.9 A 2009-11-20 2010-01-26 Avvaru, B.S.,Kim, C.U.,Sippel, K.H.,Gruner, S.M.,Agbandje-McKenna, M.,Silverman, D.N.,McKenna, R. A short, strong hydrogen bond in the active site of human carbonic anhydrase II. Biochemistry 2010 49 249 251 3KTP 20181956 Structural basis of GW182 recognition by poly(A)-binding protein 2009-11-25 2010-02-23 Kozlov, G.,Safaee, N.,Rosenauer, A.,Gehring, K. Structural basis of binding of P-body-associated proteins GW182 and ataxin-2 by the Mlle domain of poly(A)-binding protein. J.Biol.Chem. 2010 285 13599 13606 3LSF 20163115 Piracetam bound to the ligand binding domain of GluA2 2010-02-12 2010-03-16 Ahmed, A.H.,Oswald, R.E. Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors. J.Med.Chem. 2010 53 2197 2203 3LSL 20163115 Piracetam bound to the ligand binding domain of GluA2 (flop form) 2010-02-12 2010-03-16 Ahmed, A.H.,Oswald, R.E. Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors. J.Med.Chem. 2010 53 2197 2203 3LSW 20163115 Aniracetam bound to the ligand binding domain of GluA3 2010-02-13 2010-03-16 Ahmed, A.H.,Oswald, R.E. Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors. J.Med.Chem. 2010 53 2197 2203 3GNM 23365681 The crystal structure of the JAA-F11 monoclonal antibody Fab fragment 2009-03-17 2010-03-23 Tessier, M.B.,Grant, O.C.,Heimburg-Molinaro, J.,Smith, D.,Jadey, S.,Gulick, A.M.,Glushka, J.,Deutscher, S.L.,Rittenhouse-Olson, K.,Woods, R.J. Computational Screening of the Human TF-Glycome Provides a Structural Definition for the Specificity of Anti-Tumor Antibody JAA-F11. Plos One 2013 8 0 0 3M3F 20199107 PEPA bound to the ligand binding domain of GluA3 (flop form) 2010-03-09 2010-03-23 Ahmed, A.H.,Ptak, C.P.,Oswald, R.E. Molecular mechanism of flop selectivity and subsite recognition for an AMPA receptor allosteric modulator: structures of GluA2 and GluA3 in complexes with PEPA. Biochemistry 2010 49 2843 2850 3M3K 20199107 Ligand binding domain (S1S2) of GluA3 (flop) 2010-03-09 2010-03-23 Ahmed, A.H.,Ptak, C.P.,Oswald, R.E. Molecular mechanism of flop selectivity and subsite recognition for an AMPA receptor allosteric modulator: structures of GluA2 and GluA3 in complexes with PEPA. Biochemistry 2010 49 2843 2850 3M3L 20199107 PEPA bound to the ligand binding domain of GluA2 (flop form) 2010-03-09 2010-03-23 Ahmed, A.H.,Ptak, C.P.,Oswald, R.E. Molecular mechanism of flop selectivity and subsite recognition for an AMPA receptor allosteric modulator: structures of GluA2 and GluA3 in complexes with PEPA. Biochemistry 2010 49 2843 2850 3IRX 19775161 Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. 2009-08-24 2010-04-07 Cullen, M.D.,Ho, W.C.,Bauman, J.D.,Das, K.,Arnold, E.,Hartman, T.L.,Watson, K.M.,Buckheit, R.W.,Pannecouque, C.,De Clercq, E.,Cushman, M. Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. J.Med.Chem. 2009 52 6467 6473 3LCB 20505668 The crystal structure of isocitrate dehydrogenase kinase/phosphatase in complex with its substrate, isocitrate dehydrogenase, from Escherichia coli. 2010-01-10 2010-04-21 Zheng, J.,Jia, Z. Structure of the bifunctional isocitrate dehydrogenase kinase/phosphatase. Nature 2010 465 961 965 3LWT 20389282 Crystal structure of the Yeast Sac1: Implications for its phosphoinositide phosphatase function 2010-02-24 2010-05-05 Manford, A.,Xia, T.,Saxena, A.K.,Stefan, C.,Hu, F.,Emr, S.D.,Mao, Y. Crystal structure of the yeast Sac1: implications for its phosphoinositide phosphatase function. Embo J. 2010 29 1489 1498 3LX7 21685874 Crystal structure of a Novel Tudor domain-containing protein SGF29 2010-02-24 2010-05-05 Bian, C.,Xu, C.,Ruan, J.,Lee, K.K.,Burke, T.L.,Tempel, W.,Barsyte, D.,Li, J.,Wu, M.,Zhou, B.O.,Fleharty, B.E.,Paulson, A.,Allali-Hassani, A.,Zhou, J.Q.,Mer, G.,Grant, P.A.,Workman, J.L.,Zang, J.,Min, J. Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation. Embo J. 2011 30 2829 2842 3HS5 20463020 X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of cyclooxygenase-2 2009-06-10 2010-05-12 Vecchio, A.J.,Simmons, D.M.,Malkowski, M.G. Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem. 2010 285 22152 22163 3HS6 20463020 X-ray crystal structure of eicosapentaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2 2009-06-10 2010-05-12 Vecchio, A.J.,Simmons, D.M.,Malkowski, M.G. Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem. 2010 285 22152 22163 3HS7 20463020 X-ray crystal structure of docosahexaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2 2009-06-10 2010-05-12 Vecchio, A.J.,Simmons, D.M.,Malkowski, M.G. Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem. 2010 285 22152 22163 3KRK 20463020 X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of L531F murine COX-2 2009-11-18 2010-05-12 Vecchio, A.J.,Simmons, D.M.,Malkowski, M.G. Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem. 2010 285 22152 22163 3LUC 20505670 Crystal structure of MID domain from hAGO2 2010-02-17 2010-05-26 Frank, F.,Sonenberg, N.,Nagar, B. Structural basis for 5'-nucleotide base-specific recognition of guide RNA by human AGO2. Nature 2010 465 818 822 3LUK 20505670 Crystal structure of MID domain from hAGO2 2010-02-17 2010-05-26 Frank, F.,Sonenberg, N.,Nagar, B. Structural basis for 5'-nucleotide base-specific recognition of guide RNA by human AGO2. Nature 2010 465 818 822 3LWW 20476751 Structure of an open and closed conformation of Human Importin Beta bound to the Snurportin1 IBB-domain trapped in the same crystallographic asymmetric unit 2010-02-24 2010-06-02 Bhardwaj, A.,Cingolani, G. Conformational selection in the recognition of the snurportin importin beta binding domain by importin beta. Biochemistry 2010 49 5042 5047 3MWO 20693695 Human carbonic anhydrase II in a doubled monoclinic cell: a re-determination 2010-05-06 2010-06-09 Robbins, A.H.,Domsic, J.F.,Agbandje-McKenna, M.,McKenna, R. Emerging from pseudo-symmetry: the redetermination of human carbonic anhydrase II in monoclinic P2(1) with a doubled a axis. Acta Crystallogr.,Sect.D 2010 66 950 952 3L7Z 20090900 Crystal structure of the S. solfataricus archaeal exosome 2009-12-29 2010-06-23 Lu, C.,Ding, F.,Ke, A. Crystal structure of the S. solfataricus archaeal exosome reveals conformational flexibility in the RNA-binding ring. Plos One 2010 5 0 0 3IDV 20600112 Crystal structure of the a0a fragment of ERp72 2009-07-21 2010-07-07 Kozlov, G.,Azeroual, S.,Rosenauer, A.,Maattanen, P.,Denisov, A.Y.,Thomas, D.Y.,Gehring, K. Structure of the Catalytic a(0)a Fragment of the Protein Disulfide Isomerase ERp72. J.Mol.Biol. 2010 401 618 625 3ICI 20801878 Crystal structure of cyclophilin B in complex with calmegin fragment 2009-07-17 2010-07-21 Kozlov, G.,Bastos-Aristizabal, S.,Maattanen, P.,Rosenauer, A.,Zheng, F.,Killikelly, A.,Trempe, J.F.,Thomas, D.Y.,Gehring, K. Structural Basis of Cyclophilin B Binding by the Calnexin/Calreticulin P-domain. J.Biol.Chem. 2010 285 35551 35557 3NY2 20835242 Structure of the ubr-box of UBR2 ubiquitin ligase 2010-07-14 2010-08-11 Matta-Camacho, E.,Kozlov, G.,Li, F.F.,Gehring, K. Structural basis of substrate recognition and specificity in the N-end rule pathway. Nat.Struct.Mol.Biol. 2010 17 1182 1187 3O7H 20826786 Crystal structure of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase from Klebsiella pneumoniae 2010-07-30 2010-09-08 French, J.B.,Ealick, S.E. Structural and Mechanistic Studies on Klebsiella pneumoniae 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline Decarboxylase. J.Biol.Chem. 2010 285 35446 35454 3O7I 20826786 Crystal structure of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase from Klebsiella pneumoniae 2010-07-30 2010-09-08 French, J.B.,Ealick, S.E. Structural and Mechanistic Studies on Klebsiella pneumoniae 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline Decarboxylase. J.Biol.Chem. 2010 285 35446 35454 3O7J 20826786 Crystal structure of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase from Klebsiella pneumoniae 2010-07-30 2010-09-08 French, J.B.,Ealick, S.E. Structural and Mechanistic Studies on Klebsiella pneumoniae 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline Decarboxylase. J.Biol.Chem. 2010 285 35446 35454 3O7K 20826786 Crystal structure of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase from Klebsiella pneumoniae 2010-07-30 2010-09-08 French, J.B.,Ealick, S.E. Structural and Mechanistic Studies on Klebsiella pneumoniae 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline Decarboxylase. J.Biol.Chem. 2010 285 35446 35454 3JPZ 21212263 Crystal Structure of Lombricine Kinase 2009-09-04 2010-09-15 Bush, D.J.,Kirillova, O.,Clark, S.A.,Davulcu, O.,Fabiola, F.,Xie, Q.,Somasundaram, T.,Ellington, W.R.,Chapman, M.S. The structure of lombricine kinase: implications for phosphagen kinase conformational changes. J.Biol.Chem. 2011 286 9338 9350 3ORH Human guanidinoacetate N-methyltransferase with SAH 2010-09-07 2010-09-15 Wu, H.,Dong, A.,Zeng, H.,Loppnau, P.,Sundstrom, M.,Arrowsmith, C.H.,Edwards, A.M.,Bochkarev, A.,Plotnikov, A.N. The crystal structure of human guanidinoacetate N-methyltransferase with SAH TO BE PUBLISHED 0 0 0 0 3KLF 20852643 Crystal structure of wild-type HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA 2009-11-07 2010-09-22 Tu, X.,Das, K.,Han, Q.,Bauman, J.D.,Clark, A.D.,Hou, X.,Frenkel, Y.V.,Gaffney, B.L.,Jones, R.A.,Boyer, P.L.,Hughes, S.H.,Sarafianos, S.G.,Arnold, E. Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol. 2010 17 1202 1209 3O0V 20880849 Crystal structure of the calreticulin lectin domain 2010-07-20 2010-09-29 Kozlov, G.,Pocanschi, C.L.,Rosenauer, A.,Bastos-Aristizabal, S.,Gorelik, A.,Williams, D.B.,Gehring, K. Structural basis of carbohydrate recognition by calreticulin. J.Biol.Chem. 2010 285 38612 38620 3O0W 20880849 Structural basis of carbohydrate recognition by calreticulin 2010-07-20 2010-09-29 Kozlov, G.,Pocanschi, C.L.,Rosenauer, A.,Bastos-Aristizabal, S.,Gorelik, A.,Williams, D.B.,Gehring, K. Structural basis of carbohydrate recognition by calreticulin. J.Biol.Chem. 2010 285 38612 38620 3O0X 20880849 Structural basis of carbohydrate recognition by calreticulin 2010-07-20 2010-09-29 Kozlov, G.,Pocanschi, C.L.,Rosenauer, A.,Bastos-Aristizabal, S.,Gorelik, A.,Williams, D.B.,Gehring, K. Structural basis of carbohydrate recognition by calreticulin. J.Biol.Chem. 2010 285 38612 38620 3O84 20853905 Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid. 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 3K8G 21965687 Structure of crystal form I of TP0453 2009-10-14 2010-10-27 Luthra, A.,Zhu, G.,Desrosiers, D.C.,Eggers, C.H.,Mulay, V.,Anand, A.,McArthur, F.A.,Romano, F.B.,Caimano, M.J.,Heuck, A.P.,Malkowski, M.G.,Radolf, J.D. The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices. J.Biol.Chem. 2011 286 41656 41668 3K8H 21965687 Structure of crystal form I of TP0453 2009-10-14 2010-10-27 Luthra, A.,Zhu, G.,Desrosiers, D.C.,Eggers, C.H.,Mulay, V.,Anand, A.,McArthur, F.A.,Romano, F.B.,Caimano, M.J.,Heuck, A.P.,Malkowski, M.G.,Radolf, J.D. The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices. J.Biol.Chem. 2011 286 41656 41668 3K8I 21965687 Structure of crystal form IV of TP0453 2009-10-14 2010-10-27 Luthra, A.,Zhu, G.,Desrosiers, D.C.,Eggers, C.H.,Mulay, V.,Anand, A.,McArthur, F.A.,Romano, F.B.,Caimano, M.J.,Heuck, A.P.,Malkowski, M.G.,Radolf, J.D. The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices. J.Biol.Chem. 2011 286 41656 41668 3M7F 20980250 Crystal structure of the Nedd4 C2/Grb10 SH2 complex 2010-03-16 2010-10-27 Huang, Q.,Szebenyi, D.M. Structural Basis for the Interaction between the Growth Factor-binding Protein GRB10 and the E3 Ubiquitin Ligase NEDD4. J.Biol.Chem. 2010 285 42130 42139 3OT8 21094608 X-ray crystal structure of compound 17r bound to human Chk1 kinase domain 2010-09-10 2010-11-10 Dwyer, M.P.,Paruch, K.,Labroli, M.,Alvarez, C.,Keertikar, K.M.,Poker, C.,Rossman, R.,Fischmann, T.O.,Duca, J.S.,Madison, V.,Parry, D.,Davis, N.,Seghezzi, W.,Wiswell, D.,Guzi, T.J. Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 1. Bioorg.Med.Chem.Lett. 2011 21 467 470 3OCH 21077608 Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic 2010-08-10 2010-12-08 Li, Q.,So, C.R.,Fegan, A.,Cody, V.,Sarikaya, M.,Vallera, D.A.,Wagner, C.R. Chemically Self-Assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic. J.Am.Chem.Soc. 2010 132 17247 17257 3PA4 21074424 X-ray crystal structure of compound 2a bound to human CHK1 kinase domain 2010-10-18 2010-12-08 Zhao, L.,Zhang, Y.,Dai, C.,Guzi, T.,Wiswell, D.,Seghezzi, W.,Parry, D.,Fischmann, T.,Siddiqui, M.A. Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors. Bioorg.Med.Chem.Lett. 2010 20 7216 7221 3L14 Human Carbonic Anhydrase II complexed with Althiazide 2009-12-10 2011-01-05 Quirit, J.G.,Robbins, A.,Rocca, J.R.,Johnson, J.,Genis, C.,Tu, C.,Silverman, D.N.,McKenna, R. The Promiscuous Nature of Althiazide in Adducts with CA II and CA IX Mimic To be Published 0 0 0 0 3PKN 21098120 Crystal structure of MLLE domain of poly(A) binding protein in complex with PAM2 motif of La-related protein 4 (LARP4) 2010-11-11 2011-01-12 Yang, R.,Gaidamakov, S.A.,Xie, J.,Lee, J.,Martino, L.,Kozlov, G.,Crawford, A.K.,Russo, A.N.,Conte, M.R.,Gehring, K.,Maraia, R.J. La-Related Protein 4 Binds Poly(A), Interacts with the Poly(A)-Binding Protein MLLE Domain via a Variant PAM2w Motif, and Can Promote mRNA Stability. Mol.Cell.Biol. 2011 31 542 556 3L91 21892836 Structure of Pseudomonas aerugionsa PvdQ bound to octanoate 2010-01-04 2011-01-19 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 3PZW 18441029 Soybean lipoxygenase-1 - re-refinement 2010-12-14 2011-01-19 Chruszcz, M.,Wlodawer, A.,Minor, W. Determination of protein structures - a series of fortunate events. Biophys.J. 2008 95 1 9 3Q5D 21220294 crystal structure of human Atlastin-1 (residues 1-447) bound to GDP, crystal form 1 2010-12-28 2011-01-19 Byrnes, L.J.,Sondermann, H. Structural basis for the nucleotide-dependent dimerization of the large G protein atlastin-1/SPG3A. Proc.Natl.Acad.Sci.USA 2011 108 2216 2221 3Q5E 21220294 crystal structure of human Atlastin-1 (residues 1-447) bound to GDP, crystal form 2 2010-12-28 2011-01-19 Byrnes, L.J.,Sondermann, H. Structural basis for the nucleotide-dependent dimerization of the large G protein atlastin-1/SPG3A. Proc.Natl.Acad.Sci.USA 2011 108 2216 2221 3PJT 21304926 Structure of Pseudomonas fluorescence LapD EAL domain complexed with c-di-GMP, C2221 2010-11-10 2011-02-09 Navarro, M.V.,Newell, P.D.,Krasteva, P.V.,Chatterjee, D.,Madden, D.R.,O'Toole, G.A.,Sondermann, H. Structural Basis for c-di-GMP-Mediated Inside-Out Signaling Controlling Periplasmic Proteolysis. Plos Biol. 2011 9 0 0 3PJU 21304926 Structure of Pseudomonas fluorescence LapD EAL domain complexed with c-di-GMP, P6522 2010-11-10 2011-02-09 Navarro, M.V.,Newell, P.D.,Krasteva, P.V.,Chatterjee, D.,Madden, D.R.,O'Toole, G.A.,Sondermann, H. Structural Basis for c-di-GMP-Mediated Inside-Out Signaling Controlling Periplasmic Proteolysis. Plos Biol. 2011 9 0 0 3PJV 21304926 Structure of Pseudomonas fluorescence LapD periplasmic domain 2010-11-10 2011-02-09 Navarro, M.V.,Newell, P.D.,Krasteva, P.V.,Chatterjee, D.,Madden, D.R.,O'Toole, G.A.,Sondermann, H. Structural Basis for c-di-GMP-Mediated Inside-Out Signaling Controlling Periplasmic Proteolysis. Plos Biol. 2011 9 0 0 3PJX 21304926 Structure of Pseudomonas fluorescence LapD GGDEF-EAL dual domain, P32 2010-11-10 2011-02-09 Navarro, M.V.,Newell, P.D.,Krasteva, P.V.,Chatterjee, D.,Madden, D.R.,O'Toole, G.A.,Sondermann, H. Structural Basis for c-di-GMP-Mediated Inside-Out Signaling Controlling Periplasmic Proteolysis. Plos Biol. 2011 9 0 0 3QBY 21720545 Crystal structure of the PWWP domain of human Hepatoma-derived growth factor 2 2011-01-14 2011-02-09 Wu, H.,Zeng, H.,Lam, R.,Tempel, W.,Amaya, M.F.,Xu, C.,Dombrovski, L.,Qiu, W.,Wang, Y.,Min, J. Structural and Histone Binding Ability Characterizations of Human PWWP Domains. Plos One 2011 6 0 0 3LSX 20163115 Piracetam bound to the ligand binding domain of GluA3 2010-02-13 2011-03-16 Ahmed, A.H.,Oswald, R.E. Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors. J.Med.Chem. 2010 53 2197 2203 3O10 21507954 Crystal structure of the HEPN domain from human sacsin 2010-07-20 2011-03-30 Kozlov, G.,Denisov, A.Y.,Girard, M.,Dicaire, M.J.,Hamlin, J.,McPherson, P.S.,Brais, B.,Gehring, K. Structural basis of defects in the sacsin HEPN domain responsible for autosomal recessive spastic ataxia of Charlevoix-Saguenay (ARSACS). J.Biol.Chem. 2011 286 20407 20412 3N3M Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP 2010-05-20 2011-04-06 Liu, Y.,Kotra, L.P.,Pai, E.F. Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 6-amino-UMP To be Published 0 0 0 0 3MDL 21489986 X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of cyclooxygenase-2 2010-03-30 2011-04-13 Vecchio, A.J.,Malkowski, M.G. The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. J.Biol.Chem. 2011 286 20736 20745 3OLT 21489986 X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of R513H murine COX-2 2010-08-26 2011-04-13 Vecchio, A.J.,Malkowski, M.G. The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. J.Biol.Chem. 2011 286 20736 20745 3OLU 21489986 X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of R513H murine COX-2 2010-08-26 2011-04-13 Vecchio, A.J.,Malkowski, M.G. The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. J.Biol.Chem. 2011 286 20736 20745 3QH0 21467029 X-ray crystal structure of palmitic acid bound to the cyclooxygenase channel of cyclooxygenase-2 2011-01-25 2011-04-13 Dong, L.,Vecchio, A.J.,Sharma, N.P.,Jurban, B.J.,Malkowski, M.G.,Smith, W.L. Human cyclooxygenase-2 is a sequence homodimer that functions as a conformational heterodimer. J.Biol.Chem. 2011 286 19035 19046 3O64 21458257 Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides 2010-07-28 2011-04-20 Dai, C.,Li, D.,Popovici-Muller, J.,Zhao, L.,Girijavallabhan, V.M.,Rosner, K.E.,Lavey, B.J.,Rizvi, R.,Shankar, B.B.,Wong, M.K.,Guo, Z.,Orth, P.,Strickland, C.O.,Sun, J.,Niu, X.,Chen, S.,Kozlowski, J.A.,Lundell, D.J.,Piwinski, J.J.,Shih, N.Y.,Siddiqui, M.A. 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors. Bioorg.Med.Chem.Lett. 2011 21 3172 3176 3Q50 21592962 Structural analysis of a class I PreQ1 riboswitch aptamer in the metabolite-bound state 2010-12-26 2011-05-18 Jenkins, J.L.,Krucinska, J.,McCarty, R.M.,Bandarian, V.,Wedekind, J.E. Comparison of a preQ1 riboswitch aptamer in metabolite-bound and free states with implications for gene regulation. J.Biol.Chem. 2011 286 24626 24637 3RT6 21464198 Fluorowillardiine bound to the ligand binding domain of GluA3 2011-05-03 2011-05-18 Poon, K.,Ahmed, A.H.,Nowak, L.M.,Oswald, R.E. Mechanisms of Modal Activation of GluA3 Receptors. Mol.Pharmacol. 2011 80 49 59 3RT8 21464198 Chlorowillardiine bound to the ligand binding domain of GluA3 2011-05-03 2011-05-18 Poon, K.,Ahmed, A.H.,Nowak, L.M.,Oswald, R.E. Mechanisms of Modal Activation of GluA3 Receptors. Mol.Pharmacol. 2011 80 49 59 3RTF 21464198 Chlorowillardiine bound to the ligand binding domain of GluA2 2011-05-03 2011-05-18 Poon, K.,Ahmed, A.H.,Nowak, L.M.,Oswald, R.E. Mechanisms of Modal Activation of GluA3 Receptors. Mol.Pharmacol. 2011 80 49 59 3RTW 21464198 Nitrowillardiine bound to the ligand binding domain of GluA2 2011-05-04 2011-05-18 Poon, K.,Ahmed, A.H.,Nowak, L.M.,Oswald, R.E. Mechanisms of Modal Activation of GluA3 Receptors. Mol.Pharmacol. 2011 80 49 59 3QH2 21534620 Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P 2011-01-25 2011-05-25 Hazra, A.B.,Han, Y.,Chatterjee, A.,Zhang, Y.,Lai, R.Y.,Ealick, S.E.,Begley, T.P. A Missing Enzyme in Thiamin Thiazole Biosynthesis: Identification of TenI as a Thiazole Tautomerase. J.Am.Chem.Soc. 2011 133 9311 9319 3RG0 21652723 Structural and functional relationships between the lectin and arm domains of calreticulin 2011-04-07 2011-06-01 Pocanschi, C.L.,Kozlov, G.,Brockmeier, U.,Brockmeier, A.,Williams, D.B.,Gehring, K. Structural and Functional Relationships between the Lectin and Arm Domains of Calreticulin. J.Biol.Chem. 2011 286 27266 27277 3RWA 21647365 Crystal structure of circular-permutated mKate 2011-05-08 2011-06-15 Shui, B.,Wang, Q.,Lee, F.,Byrnes, L.J.,Chudakov, D.M.,Lukyanov, S.A.,Sondermann, H.,Kotlikoff, M.I. Circular permutation of red fluorescent proteins. Plos One 2011 6 0 0 3RWT 21647365 Crystal structure of circular permutated Red Fluorescent Protein mKate(cp 154-153) 2011-05-09 2011-06-15 Shui, B.,Wang, Q.,Lee, F.,Byrnes, L.J.,Chudakov, D.M.,Lukyanov, S.A.,Sondermann, H.,Kotlikoff, M.I. Circular permutation of red fluorescent proteins. Plos One 2011 6 0 0 3S5U 21697083 Crystal structure of CRISPR associated protein 2011-05-23 2011-06-22 Nam, K.H.,Kurinov, I.,Ke, A. Crystal structure of clustered regularly interspaced short palindromic repeats (CRISPR)-associated Csn2 protein revealed Ca2+-dependent double-stranded DNA binding activity. J. Biol. Chem. 2011 286 30759 30768 3NTW 26224628 Structure of the MLLE domain of EDD in complex with a PAM2 peptide from Paip1 2010-07-05 2011-07-06 Munoz-Escobar, J.,Matta-Camacho, E.,Kozlov, G.,Gehring, K. The MLLE domain of the ubiquitin ligase UBR5 binds to its catalytic domain to regulate substrate binding. J. Biol. Chem. 2015 290 22841 22850 3SOH 21673656 Architecture of the Flagellar Rotor 2011-06-30 2011-07-27 Paul, K.,Gonzalez-Bonet, G.,Bilwes, A.M.,Crane, B.R.,Blair, D. Architecture of the flagellar rotor. Embo J. 2011 30 2962 2971 3QMO 21843643 X-ray crystal structure of NS-398 bound to the cyclooxygenase channel of cyclooxygenase-2 2011-02-04 2011-08-03 Vecchio, A.J.,Malkowski, M.G. The structure of NS-398 bound to cyclooxygenase-2. J.Struct.Biol. 2011 176 254 258 3RW7 21822283 Structure of N-terminal domain of nuclear RNA export factor TAP 2011-05-07 2011-08-10 Teplova, M.,Wohlbold, L.,Khin, N.W.,Izaurralde, E.,Patel, D.J. Structure-function studies of nucleocytoplasmic transport of retroviral genomic RNA by mRNA export factor TAP. Nat.Struct.Mol.Biol. 2011 18 990 998 3T93 21846932 Glutamate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 2011-08-02 2011-08-17 Ahmed, A.H.,Wang, S.,Chuang, H.H.,Oswald, R.E. Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem. 2011 286 35257 35266 3T96 21846932 Iodowillardiine bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 2011-08-02 2011-08-17 Ahmed, A.H.,Wang, S.,Chuang, H.H.,Oswald, R.E. Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem. 2011 286 35257 35266 3T9H 21846932 Kainate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 2011-08-02 2011-08-17 Ahmed, A.H.,Wang, S.,Chuang, H.H.,Oswald, R.E. Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem. 2011 286 35257 35266 3T9U 21846932 CNQX bound to an oxidized double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 2011-08-03 2011-08-17 Ahmed, A.H.,Wang, S.,Chuang, H.H.,Oswald, R.E. Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem. 2011 286 35257 35266 3T9V 21846932 CNQX bound to a reduced double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 2011-08-03 2011-08-17 Ahmed, A.H.,Wang, S.,Chuang, H.H.,Oswald, R.E. Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem. 2011 286 35257 35266 3T9X 21846932 Glutamate bound to a double cysteine mutant (V484C/E657C) of the ligand binding domain of GluA2 2011-08-03 2011-08-17 Ahmed, A.H.,Wang, S.,Chuang, H.H.,Oswald, R.E. Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem. 2011 286 35257 35266 3RYL 21873985 Dimerization domain of Vibrio parahemolyticus VopL 2011-05-11 2011-08-31 Namgoong, S.,Boczkowska, M.,Glista, M.J.,Winkelman, J.D.,Rebowski, G.,Kovar, D.R.,Dominguez, R. Mechanism of actin filament nucleation by Vibrio VopL and implications for tandem W domain nucleation. Nat.Struct.Mol.Biol. 2011 18 1060 1067 3S93 Crystal structure of conserved motif in TDRD5 2011-05-31 2011-08-31 Chao, X.,Tempel, W.,Bian, C.,Kania, J.,Wernimont, A.K.,Bountra, C.,Weigelt, J.,Arrowsmith, C.H.,Edwards, A.M.,Min, J. Crystal structure of conserved motif in TDRD5 to be published 0 0 0 0 3OTK 22056345 Structure and mechanisim of core 2 beta1,6-n-acetylglucosaminyltransferase: a Metal-ion independent gt-a glycosyltransferase 2010-09-13 2011-09-14 Pak, J.E.,Satkunarajah, M.,Seetharaman, J.,Rini, J.M. Structural and mechanistic characterization of leukocyte-type core 2 beta 1,6-N-acetylglucosaminyltransferase: a metal-ion-independent GT-A glycosyltransferase. J.Mol.Biol. 2011 414 798 811 3SVN 21887263 Crystal structure of mKate S158A mutant at pH 7.5 2011-07-12 2011-09-14 Wang, Q.,Byrnes, L.J.,Shui, B.,Rohrig, U.F.,Singh, A.,Chudakov, D.M.,Lukyanov, S.,Zipfel, W.R.,Kotlikoff, M.I.,Sondermann, H. Molecular Mechanism of a Green-Shifted, pH-Dependent Red Fluorescent Protein mKate Variant. Plos One 2011 6 0 0 3SVO 21887263 Crystal structure of mKate mutant S158A/S143C at pH 10.0 2011-07-12 2011-09-14 Wang, Q.,Byrnes, L.J.,Shui, B.,Rohrig, U.F.,Singh, A.,Chudakov, D.M.,Lukyanov, S.,Zipfel, W.R.,Kotlikoff, M.I.,Sondermann, H. Molecular Mechanism of a Green-Shifted, pH-Dependent Red Fluorescent Protein mKate Variant. Plos One 2011 6 0 0 3SVR 21887263 Crystal structure of mkate mutant S158A/S143C at pH 7.5 2011-07-12 2011-09-14 Wang, Q.,Byrnes, L.J.,Shui, B.,Rohrig, U.F.,Singh, A.,Chudakov, D.M.,Lukyanov, S.,Zipfel, W.R.,Kotlikoff, M.I.,Sondermann, H. Molecular Mechanism of a Green-Shifted, pH-Dependent Red Fluorescent Protein mKate Variant. Plos One 2011 6 0 0 3SVS 21887263 Crystal structure of mkate mutant S158A/S143C at pH 4.0 2011-07-12 2011-09-14 Wang, Q.,Byrnes, L.J.,Shui, B.,Rohrig, U.F.,Singh, A.,Chudakov, D.M.,Lukyanov, S.,Zipfel, W.R.,Kotlikoff, M.I.,Sondermann, H. Molecular Mechanism of a Green-Shifted, pH-Dependent Red Fluorescent Protein mKate Variant. Plos One 2011 6 0 0 3SVU 21887263 Crystal structure of mKate mutant S143C 2011-07-12 2011-09-14 Wang, Q.,Byrnes, L.J.,Shui, B.,Rohrig, U.F.,Singh, A.,Chudakov, D.M.,Lukyanov, S.,Zipfel, W.R.,Kotlikoff, M.I.,Sondermann, H. Molecular Mechanism of a Green-Shifted, pH-Dependent Red Fluorescent Protein mKate Variant. Plos One 2011 6 0 0 3U3D 21992006 Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine 2011-10-05 2011-11-09 Zhu, A.Y.,Zhou, Y.,Khan, S.,Deitsch, K.W.,Hao, Q.,Lin, H. Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine Acs Chem.Biol. 2011 0 0 0 3RIG 22076378 Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase 2011-04-13 2011-11-23 Du, J.,Zhou, Y.,Su, X.,Yu, J.J.,Khan, S.,Jiang, H.,Kim, J.,Woo, J.,Kim, J.H.,Choi, B.H.,He, B.,Chen, W.,Zhang, S.,Cerione, R.A.,Auwerx, J.,Hao, Q.,Lin, H. Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase Science 2011 334 806 809 3U1C 22119916 Anti-parallel dimer of N-terminal 98-aa fragment of smooth muscle tropomyosin alpha 2011-09-29 2011-11-23 Rao, J.N.,Rivera-Santiago, R.,Li, X.E.,Lehman, W.,Dominguez, R. Structural analysis of smooth muscle tropomyosin alpha and beta isoforms. J.Biol.Chem. 2012 287 3165 3174 3R0H 21703451 Structure of INAD PDZ45 in complex with NG2 peptide 2011-03-08 2011-11-30 Liu, W.,Wen, W.,Wei, Z.,Yu, J.,Ye, F.,Liu, C.-H.,Hardie, R.C.,Zhang, M. The INAD scaffold is a dynamic, redox-regulated modulator of signaling in the Drosophila eye Cell(Cambridge,Mass.) 2011 145 1088 1101 3R0H 21703451 Structure of INAD PDZ45 in complex with NG2 peptide 2011-03-08 2011-11-30 Liu, W.,Wen, W.,Wei, Z.,Yu, J.,Ye, F.,Liu, C.-H.,Hardie, R.C.,Zhang, M. The INAD scaffold is a dynamic, redox-regulated modulator of signaling in the Drosophila eye Cell(Cambridge,Mass.) 2011 145 1088 1101 3PT3 23027739 Crystal structure of the C-terminal lobe of the human UBR5 HECT domain 2010-12-02 2012-01-25 Matta-Camacho, E.,Kozlov, G.,Menade, M.,Gehring, K. Structure of the HECT C-lobe of the UBR5 E3 ubiquitin ligase. Acta Crystallogr.,Sect.F 2012 68 1158 1163 3Q3F 22245575 Engineering Domain-Swapped Binding Interfaces by Mutually Exclusive Folding: Insertion of Ubiquitin into position 103 of Barnase 2010-12-21 2012-01-25 Ha, J.H.,Karchin, J.M.,Walker-Kopp, N.,Huang, L.S.,Berry, E.A.,Loh, S.N. Engineering domain-swapped binding interfaces by mutually exclusive folding. J.Mol.Biol. 2012 416 495 502 3UR1 The structure of a ternary complex between CheA domains P4 and P5 with CheW and with a truncated fragment of TM14, a chemoreceptor analog from Thermotoga maritima. 2011-11-21 2012-03-07 Breigel, A.,Li, X.,Bilwes, A.M.,Hugues, K.T.,Jensen, G.J.,Crane, B.R. The structure of native bacterial chemoreceptor arrays Proc.Natl.Acad.Sci.USA 2012 0 0 0 3T0Q 22493778 Motor Domain Structure of the Kar3-like kinesin from Ashbya gossypii 2011-07-20 2012-04-04 Duan, D.,Hnatchuk, D.J.,Brenner, J.,Davis, D.,Allingham, J.S. Crystal structure of the Kar3-like kinesin motor domain from the filamentous fungus Ashbya gossypii. Proteins 2012 80 1016 1027 4E9M NOD1 card domain with three disulfide-clinched, domain-swapped dimers in the asymmetric unit 2012-03-21 2012-04-04 Berry, E.A.,Huang, L.S.,Walker-Kopp, N. Crystal structure of nod1 card domain with three disulfide-clinched, domain-swapped dimers in the asymmetric unit To be Published 0 0 0 0 3UVT 22505402 Crystal structure of the third catalytic domain of ERp46 2011-11-30 2012-04-11 Gulerez, I.E.,Kozlov, G.,Rosenauer, A.,Gehring, K. Structure of the third catalytic domain of the protein disulfide isomerase ERp46. Acta Crystallogr.,Sect.F 2012 68 378 381 4EEW Crystal structure of the Ubl domain of BAG6 2012-03-28 2012-04-11 Kozlov, G.,LePage, K.,Vinaik, R.,Gehring, K. Crystal structure of the Ubl domain of BAG6 To be Published 0 0 0 0 3V00 22448927 Studies of a constitutively active G-alpha subunit provide insights into the mechanism of G protein activation. 2011-12-07 2012-04-18 Singh, G.,Ramachandran, S.,Cerione, R.A. A constitutively active G-alpha subunit provide insights into the mechanism of G protein activation Biochemistry 2012 51 3232 3240 3TZI 22637474 X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of G533V murine COX-2 2011-09-27 2012-04-25 Vecchio, A.J.,Orlando, B.J.,Nandagiri, R.,Malkowski, M.G. Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE. J.Biol.Chem. 2012 287 24619 24630 4E1G 22637474 X-ray crystal structure of alpha-linolenic acid bound to the cyclooxygenase channel of cyclooxygenase-2 2012-03-06 2012-04-25 Vecchio, A.J.,Orlando, B.J.,Nandagiri, R.,Malkowski, M.G. Investigating Substrate Promiscuity in Cyclooxygenase-2: THE ROLE OF ARG-120 AND RESIDUES LINING THE HYDROPHOBIC GROOVE. J.Biol.Chem. 2012 287 24619 24630 4F1Y 22512472 CNQX bound to the ligand binding domain of GluA3 2012-05-07 2012-05-16 Holley, S.M.,Ahmed, A.H.,Srinivasan, J.,Murthy, S.E.,Weiland, G.A.,Oswald, R.E.,Nowak, L.M. The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation. Biochemistry 2012 51 4015 4027 4F22 22512472 Kainate bound to the K660A mutant of the ligand binding domain of GluA3 2012-05-07 2012-05-16 Holley, S.M.,Ahmed, A.H.,Srinivasan, J.,Murthy, S.E.,Weiland, G.A.,Oswald, R.E.,Nowak, L.M. The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation. Biochemistry 2012 51 4015 4027 4F29 22512472 Quisqualate bound to the ligand binding domain of GluA3i 2012-05-07 2012-05-16 Holley, S.M.,Ahmed, A.H.,Srinivasan, J.,Murthy, S.E.,Weiland, G.A.,Oswald, R.E.,Nowak, L.M. The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation. Biochemistry 2012 51 4015 4027 4F2O 22512472 Quisqualate bound to the D655A mutant of the ligand binding domain of GluA3 2012-05-08 2012-05-23 Holley, S.M.,Ahmed, A.H.,Srinivasan, J.,Murthy, S.E.,Weiland, G.A.,Oswald, R.E.,Nowak, L.M. The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation. Biochemistry 2012 51 4015 4027 4F2Q 22512472 Quisqualate bound to the D655A mutant of the ligand binding domain of GluA3 2012-05-08 2012-05-30 Holley, S.M.,Ahmed, A.H.,Srinivasan, J.,Murthy, S.E.,Weiland, G.A.,Oswald, R.E.,Nowak, L.M. The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation. Biochemistry 2012 51 4015 4027 4F31 22512472 Kainate bound to the D655A mutant of the ligand binding domain of GluA3 2012-05-08 2012-05-30 Holley, S.M.,Ahmed, A.H.,Srinivasan, J.,Murthy, S.E.,Weiland, G.A.,Oswald, R.E.,Nowak, L.M. The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation. Biochemistry 2012 51 4015 4027 4F39 22512472 Kainate bound to the ligand binding domain of GluA3 2012-05-09 2012-05-30 Holley, S.M.,Ahmed, A.H.,Srinivasan, J.,Murthy, S.E.,Weiland, G.A.,Oswald, R.E.,Nowak, L.M. The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation. Biochemistry 2012 51 4015 4027 4F3B 22512472 Glutamate bound to the D655A mutant of the ligand binding domain of GluA3 2012-05-09 2012-05-30 Holley, S.M.,Ahmed, A.H.,Srinivasan, J.,Murthy, S.E.,Weiland, G.A.,Oswald, R.E.,Nowak, L.M. The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation. Biochemistry 2012 51 4015 4027 4F3G 22512472 Kainate bound to the ligand binding domain of GluA3i 2012-05-09 2012-05-30 Holley, S.M.,Ahmed, A.H.,Srinivasan, J.,Murthy, S.E.,Weiland, G.A.,Oswald, R.E.,Nowak, L.M. The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation. Biochemistry 2012 51 4015 4027 3S7S 22951074 Crystal structure of human placental aromatase complexed with breast cancer drug exemestane 2011-05-26 2012-06-06 Ghosh, D.,Lo, J.,Morton, D.,Valette, D.,Xi, J.,Griswold, J.,Hubbell, S.,Egbuta, C.,Jiang, W.,An, J.,Davies, H.M. Novel aromatase inhibitors by structure-guided design. J.Med.Chem. 2012 55 8464 8476 4F4U 22767592 The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5 2012-05-11 2012-06-20 Zhou, Y.,Zhang, H.,He, B.,Du, J.,Lin, H.,Cerione, R.A.,Hao, Q. The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5) J.Biol.Chem. 2012 287 28307 28314 4FGO 22707706 Legionella pneumophila LapG (calcium-bound) 2012-06-04 2012-06-20 Chatterjee, D.,Boyd, C.D.,O'Toole, G.A.,Sondermann, H. Structural characterization of a conserved, calcium-dependent periplasmic protease from Legionella pneumophila. J.Bacteriol. 2012 194 4415 4425 4FGP 22707706 Legionella pneumophila LapG (EGTA-treated) 2012-06-04 2012-06-20 Chatterjee, D.,Boyd, C.D.,O'Toole, G.A.,Sondermann, H. Structural characterization of a conserved, calcium-dependent periplasmic protease from Legionella pneumophila. J.Bacteriol. 2012 194 4415 4425 4FGQ 22707706 Legionella pneumophila LapG 2012-06-04 2012-06-20 Chatterjee, D.,Boyd, C.D.,O'Toole, G.A.,Sondermann, H. Structural characterization of a conserved, calcium-dependent periplasmic protease from Legionella pneumophila. J.Bacteriol. 2012 194 4415 4425 3TGU 22690928 Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound 2011-08-17 2012-07-04 Hao, G.F.,Wang, F.,Li, H.,Zhu, X.L.,Yang, W.C.,Huang, L.S.,Wu, J.W.,Berry, E.A.,Yang, G.F. Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex. J.Am.Chem.Soc. 2012 134 11168 11176 4ERP 22727814 Crystal structure of a gemcitabine-diphosphate inhibited E. coli class Ia ribonucleotide reductase complex 2012-04-20 2012-07-04 Zimanyi, C.M.,Ando, N.,Brignole, E.J.,Asturias, F.J.,Stubbe, J.,Drennan, C.L. Tangled up in knots: structures of inactivated forms of E. coli class Ia ribonucleotide reductase. Structure 2012 20 1374 1383 4FSJ Crystal structure of the virus like particle of Flock House virus 2012-06-27 2012-08-01 Speir, J.A.,Chen, Z.,Reddy, V.S.,Johnson, J.E. Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides to be published 2012 0 0 0 4FTB Crystal structure of the authentic Flock House virus particle 2012-06-27 2012-08-01 Speir, J.A.,Chen, Z.,Reddy, V.S.,Johnson, J.E. Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides to be published 2012 0 0 0 4FTE Crystal structure of the D75N mutant capsid of Flock House virus 2012-06-27 2012-08-01 Speir, J.A.,Chen, Z.,Reddy, V.S.,Johnson, J.E. Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides to be published 2012 0 0 0 4FTS Crystal structure of the N363T mutant of the Flock House virus capsid 2012-06-28 2012-08-01 Speir, J.A.,Chen, Z.,Reddy, V.S.,Johnson, J.E. Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides to be published 2012 0 0 0 4F25 23041282 Crystal structure of the second RRM domain of human PABPC1 at pH 6.0 2012-05-07 2012-08-08 Safaee, N.,Kozlov, G.,Noronha, A.M.,Xie, J.,Wilds, C.J.,Gehring, K. Interdomain Allostery Promotes Assembly of the Poly(A) mRNA Complex with PABP and eIF4G. Mol.Cell 2012 48 375 386 4F26 23041282 Crystal structure of the second RRM domain of human PABPC1 a pH 9.0 2012-05-07 2012-08-08 Safaee, N.,Kozlov, G.,Noronha, A.M.,Xie, J.,Wilds, C.J.,Gehring, K. Interdomain Allostery Promotes Assembly of the Poly(A) mRNA Complex with PABP and eIF4G. Mol.Cell 2012 48 375 386 4F3M 22841292 Crystal structure of CRISPR-associated protein 2012-05-09 2012-08-15 Nam, K.H.,Haitjema, C.,Liu, X.,Ding, F.,Wang, H.,Delisa, M.P.,Ke, A. Cas5d Protein Processes Pre-crRNA and Assembles into a Cascade-like Interference Complex in Subtype I-C/Dvulg CRISPR-Cas System. Structure 2012 20 1574 1584 3TMU 21931220 X-Ray Radiation Damage to HEWL Crystals soaked in 100mM Sodium Nitrate (Undosed) 2011-08-31 2012-08-22 Kmetko, J.,Warkentin, M.,Englich, U.,Thorne, R.E. Can radiation damage to protein crystals be reduced using small-molecule compounds? Acta Crystallogr.,Sect.D 2011 67 881 893 3TMV 21931220 X-Ray Radiation Damage to HEWL Crystals soaked in 100mM Sodium Nitrate (Dose=0.12MGy) 2011-08-31 2012-08-22 Kmetko, J.,Warkentin, M.,Englich, U.,Thorne, R.E. Can radiation damage to protein crystals be reduced using small-molecule compounds? Acta Crystallogr.,Sect.D 2011 67 881 893 3TMW 21931220 X-Ray Radiation Damage to HEWL Crystals soaked in 100mM Sodium Nitrate (Undosed) 2011-08-31 2012-08-22 Kmetko, J.,Warkentin, M.,Englich, U.,Thorne, R.E. Can radiation damage to protein crystals be reduced using small-molecule compounds? Acta Crystallogr.,Sect.D 2011 67 881 893 3TMX 21931220 X-Ray Radiation Damage to HEWL Crystals soaked in 100mM Sodium Nitrate (Dose=1.9MGy) 2011-08-31 2012-08-22 Kmetko, J.,Warkentin, M.,Englich, U.,Thorne, R.E. Can radiation damage to protein crystals be reduced using small-molecule compounds? Acta Crystallogr.,Sect.D 2011 67 881 893 4ES1 22942283 Double-stranded Endonuclease Activity in B. halodurans Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR)-associated Cas2 Protein 2012-04-21 2012-08-22 Nam, K.H.,Ding, F.,Haitjema, C.,Huang, Q.,DeLisa, M.P.,Ke, A. Double-stranded endonuclease activity in Bacillus halodurans clustered regularly interspaced short palindromic repeats (CRISPR)-associated Cas2 protein. J. Biol. Chem. 2012 287 35943 35952 4ES2 22942283 Double-stranded Endonuclease Activity in B. halodurans Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR)-associated Cas2 Protein 2012-04-21 2012-08-22 Nam, K.H.,Ding, F.,Haitjema, C.,Huang, Q.,DeLisa, M.P.,Ke, A. Double-stranded endonuclease activity in Bacillus halodurans clustered regularly interspaced short palindromic repeats (CRISPR)-associated Cas2 protein. J. Biol. Chem. 2012 287 35943 35952 4ES3 22942283 Double-stranded Endonuclease Activity in B. halodurans Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR)-associated Cas2 Protein 2012-04-21 2012-08-22 Nam, K.H.,Ding, F.,Haitjema, C.,Huang, Q.,DeLisa, M.P.,Ke, A. Double-stranded endonuclease activity in Bacillus halodurans clustered regularly interspaced short palindromic repeats (CRISPR)-associated Cas2 protein. J. Biol. Chem. 2012 287 35943 35952 4FYE 22872863 Crystal structure of a Legionella phosphoinositide phosphatase, SidF 2012-07-04 2012-08-22 Hsu, F.,Zhu, W.,Brennan, L.,Tao, L.,Luo, Z.Q.,Mao, Y. Structural basis for substrate recognition by a unique Legionella phosphoinositide phosphatase. Proc.Natl.Acad.Sci.USA 2012 109 13567 13572 4FYF 22872863 Structural basis for substrate recognition by a novel Legionella phosphoinositide phosphatase 2012-07-04 2012-08-22 Hsu, F.,Zhu, W.,Brennan, L.,Tao, L.,Luo, Z.Q.,Mao, Y. Structural basis for substrate recognition by a unique Legionella phosphoinositide phosphatase. Proc.Natl.Acad.Sci.USA 2012 109 13567 13572 4GL7 22951074 Structure of human placental aromatase complexed with designed inhibitor HDDG046 (compound 5) 2012-08-13 2012-09-12 Ghosh, D.,Lo, J.,Morton, D.,Valette, D.,Xi, J.,Griswold, J.,Hubbell, S.,Egbuta, C.,Jiang, W.,An, J.,Davies, H.M. Novel aromatase inhibitors by structure-guided design. J.Med.Chem. 2012 55 8464 8476 4GKR 23043140 Structure of the C-terminal motor domain of Kar3 from Candida glabrata 2012-08-13 2012-10-03 Duan, D.,Jia, Z.,Joshi, M.,Brunton, J.,Chan, M.,Drew, D.,Davis, D.,Allingham, J.S. Neck Rotation and Neck Mimic Docking in the Noncatalytic Kar3-associated Protein Vik1. J.Biol.Chem. 2012 287 40292 40301 4H79 23079036 Crystal structure of CasB from Thermobifida fusca 2012-09-20 2012-10-03 Nam, K.H.,Huang, Q.,Ke, A. Nucleic acid binding surface and dimer interface revealed by CRISPR-associated CasB protein structures. Febs Lett. 2012 586 3956 3961 4H7A 23079036 Crystal structure of CasB from Thermus thermophilus 2012-09-20 2012-10-03 Nam, K.H.,Huang, Q.,Ke, A. Nucleic acid binding surface and dimer interface revealed by CRISPR-associated CasB protein structures. Febs Lett. 2012 586 3956 3961 3U4H 23840430 CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template 2011-10-08 2012-10-10 Moreau, C.,Liu, Q.,Graeff, R.,Wagner, G.K.,Thomas, M.P.,Swarbrick, J.M.,Shuto, S.,Lee, H.C.,Hao, Q.,Potter, B.V.L. CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose Template Plos One 2013 8 0 0 3U4I 23840430 CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template 2011-10-08 2012-10-10 Moreau, C.,Liu, Q.,Graeff, R.,Wagner, G.K.,Thomas, M.P.,Swarbrick, J.M.,Shuto, S.,Lee, H.C.,Hao, Q.,Potter, B.V.L. CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose Template Plos One 2013 8 0 0 4DL0 23000382 Crystal Structure of the heterotrimeric EGChead Peripheral Stalk Complex of the Yeast Vacuolar ATPase 2012-02-05 2012-10-10 Oot, R.A.,Huang, L.S.,Berry, E.A.,Wilkens, S. Crystal Structure of the Yeast Vacuolar ATPase Heterotrimeric EGC(head) Peripheral Stalk Complex. Structure 2012 20 1881 1892 4GXS 23076153 Ligand binding domain of GluA2 (AMPA/glutamate receptor) bound to (-)-kaitocephalin 2012-09-04 2012-10-17 Ahmed, A.H.,Hamada, M.,Shinada, T.,Ohfune, Y.,Weerasinghe, L.,Garner, P.P.,Oswald, R.E. The structure of (-)-kaitocephalin bound to the ligand binding domain of the (S)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA)/glutamate receptor, GluA2. J.Biol.Chem. 2012 287 41007 41013 4HNK 23192353 Crystal structure of an Enzyme 2012-10-19 2012-12-05 El Bakkouri, M.,Rathore, S.,Calmettes, C.,Wernimont, A.K.,Liu, K.,Sinha, D.,Asad, M.,Jung, P.,Hui, R.,Mohmmed, A.,Houry, W.A. Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum. J.Biol.Chem. 2013 288 1022 1031 4HZ1 23167247 Crystal Structure of Pseudomonas aeruginosa azurin with iron(II) at the copper-binding site. 2012-11-14 2012-12-12 McLaughlin, M.P.,Retegan, M.,Bill, E.,Payne, T.M.,Shafaat, H.S.,Pena, S.,Sudhamsu, J.,Ensign, A.A.,Crane, B.R.,Neese, F.,Holland, P.L. Azurin as a Protein Scaffold for a Low-coordinate Nonheme Iron Site with a Small-molecule Binding Pocket. J.Am.Chem.Soc. 2012 134 19746 19757 4HI4 23274111 Crystal structure of the 5-coordinate ferric heme-binding PAS domain of Aer2 from P. aeruginosa 2012-10-11 2013-01-09 Airola, M.V.,Huh, D.,Sukomon, N.,Widom, J.,Sircar, R.,Borbat, P.P.,Freed, J.H.,Watts, K.J.,Crane, B.R. Architecture of the soluble receptor Aer2 indicates an in-line mechanism for PAS and HAMP domain signaling. J.Mol.Biol. 2013 425 886 901 4IDN 23334294 Human atlastin-1 1-446, C-his6, GppNHp 2012-12-12 2013-01-09 Byrnes, L.J.,Singh, A.,Szeto, K.,Benvin, N.M.,O'Donnell, J.P.,Zipfel, W.R.,Sondermann, H. Structural basis for conformational switching and GTP loading of the large G protein atlastin. Embo J. 2013 32 369 384 4IDO 23334294 human atlastin-1 1-446, C-his6, GDPAlF4- 2012-12-12 2013-01-09 Byrnes, L.J.,Singh, A.,Szeto, K.,Benvin, N.M.,O'Donnell, J.P.,Zipfel, W.R.,Sondermann, H. Structural basis for conformational switching and GTP loading of the large G protein atlastin. Embo J. 2013 32 369 384 4IDP 23334294 human atlastin-1 1-446, N440T, GppNHp 2012-12-12 2013-01-09 Byrnes, L.J.,Singh, A.,Szeto, K.,Benvin, N.M.,O'Donnell, J.P.,Zipfel, W.R.,Sondermann, H. Structural basis for conformational switching and GTP loading of the large G protein atlastin. Embo J. 2013 32 369 384 4IDQ 23334294 human atlastin-1 1-446, N440T, GDPAlF4- 2012-12-12 2013-01-09 Byrnes, L.J.,Singh, A.,Szeto, K.,Benvin, N.M.,O'Donnell, J.P.,Zipfel, W.R.,Sondermann, H. Structural basis for conformational switching and GTP loading of the large G protein atlastin. Embo J. 2013 32 369 384 4HIA 23252338 Crystal Structure of Rhodobacter Sphaeroides LOV protein 2012-10-11 2013-01-16 Conrad, K.S.,Bilwes, A.M.,Crane, B.R. Light-induced subunit dissociation by a light-oxygen-voltage domain photoreceptor from Rhodobacter sphaeroides. Biochemistry 2013 52 378 391 4HJ3 23252338 Crystal Structure of Rhodobacter Sphaeroides LOV protein 2012-10-12 2013-01-16 Conrad, K.S.,Bilwes, A.M.,Crane, B.R. Light-induced subunit dissociation by a light-oxygen-voltage domain photoreceptor from Rhodobacter sphaeroides. Biochemistry 2013 52 378 391 4HJ4 23252338 Crystal Structure of Rhodobacter Sphaeroides LOV protein 2012-10-12 2013-01-16 Conrad, K.S.,Bilwes, A.M.,Crane, B.R. Light-induced subunit dissociation by a light-oxygen-voltage domain photoreceptor from Rhodobacter sphaeroides. Biochemistry 2013 52 378 391 4HJ6 23252338 Crystal Structure of Rhodobacter Sphaeroides LOV protein 2012-10-12 2013-01-16 Conrad, K.S.,Bilwes, A.M.,Crane, B.R. Light-induced subunit dissociation by a light-oxygen-voltage domain photoreceptor from Rhodobacter sphaeroides. Biochemistry 2013 52 378 391 4HNB 23252338 Crystal Structure of Rhodobacter Sphaeroides LOV protein 2012-10-19 2013-01-16 Conrad, K.S.,Bilwes, A.M.,Crane, B.R. Light-induced subunit dissociation by a light-oxygen-voltage domain photoreceptor from Rhodobacter sphaeroides. Biochemistry 2013 52 378 391 4IOT 23695562 High-resolution Structure of Triosephosphate isomerase from E. coli 2013-01-08 2013-01-23 Kozlov, G.,Vinaik, R.,Gehring, K. Triosephosphate isomerase is a common crystallization contaminant of soluble His-tagged proteins produced in Escherichia coli. Acta Crystallogr.,Sect.F 2013 69 499 502 3U7C crystal structure of the V143I mutant of human carbonic anhydrase II 2011-10-13 2013-02-13 West, D.M.,Kim, C.U.,Tu, C.,Gordon, J.,Robbins, A.H.,Gruner, S.M.,Silverman, D.M.,Mckenna, R. crystal structure of the V143I mutant of human carbonic anhydrase II To be Published 0 0 0 0 3VAG 23376934 Structure of U2AF65 variant with BrU3C2 DNA 2011-12-29 2013-02-13 Jenkins, J.L.,Agrawal, A.A.,Gupta, A.,Green, M.R.,Kielkopf, C.L. U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res. 2013 41 3859 3873 3VAH 23376934 Structure of U2AF65 variant with BrU3C4 DNA 2011-12-29 2013-02-13 Jenkins, J.L.,Agrawal, A.A.,Gupta, A.,Green, M.R.,Kielkopf, C.L. U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res. 2013 41 3859 3873 3VAI 23376934 Structure of U2AF65 variant with BrU3C5 DNA 2011-12-29 2013-02-13 Jenkins, J.L.,Agrawal, A.A.,Gupta, A.,Green, M.R.,Kielkopf, C.L. U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res. 2013 41 3859 3873 3VAK 23376934 Structure of U2AF65 variant with BrU5 DNA 2011-12-29 2013-02-13 Jenkins, J.L.,Agrawal, A.A.,Gupta, A.,Green, M.R.,Kielkopf, C.L. U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res. 2013 41 3859 3873 3VAM 23376934 Structure of U2AF65 variant with BrU5C2 DNA 2011-12-29 2013-02-13 Jenkins, J.L.,Agrawal, A.A.,Gupta, A.,Green, M.R.,Kielkopf, C.L. U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs. Nucleic Acids Res. 2013 41 3859 3873 4EJ3 Crystal structure of a CRISPR associated protein from Thermus thermophilus HB8 2012-04-06 2013-02-20 Huang, Q.Q. Crystal structure of a CRISPR associated protein from Thermus thermophilus HB8 To be Published 0 0 0 0 4HHS 23373518 Crystal Structure of fatty acid alpha-dioxygenase (Arabidopsis thaliana) 2012-10-10 2013-02-20 Goulah, C.C.,Zhu, G.,Koszelak-Rosenblum, M.,Malkowski, M.G. The crystal structure of alpha-Dioxygenase provides insight into diversity in the cyclooxygenase-peroxidase superfamily. Biochemistry 2013 52 1364 1372 4J40 19679088 Crystal structure of the dual-domain GGDEF-EAL module of FimX from Pseudomonas aeruginosa 2013-02-06 2013-02-20 Navarro, M.V.,De, N.,Bae, N.,Wang, Q.,Sondermann, H. Structural analysis of the GGDEF-EAL domain-containing c-di-GMP receptor FimX. Structure 2009 17 1104 1116 4I3M 23424282 Aer2 poly-HAMP domains: L44H HAMP1 CW-lock mutant 2012-11-26 2013-02-27 Airola, M.V.,Sukomon, N.,Samanta, D.,Borbat, P.P.,Freed, J.H.,Watts, K.J.,Crane, B.R. HAMP Domain Conformers That Propagate Opposite Signals in Bacterial Chemoreceptors. Plos Biol. 2013 11 0 0 4I44 23424282 Aer2 poly-HAMP domains: V33G HAMP1 inverted signaling mutant 2012-11-27 2013-02-27 Airola, M.V.,Sukomon, N.,Samanta, D.,Borbat, P.P.,Freed, J.H.,Watts, K.J.,Crane, B.R. HAMP Domain Conformers That Propagate Opposite Signals in Bacterial Chemoreceptors. Plos Biol. 2013 11 0 0 4IN3 23395181 Crystal Structure of the Chs5-Bch1 Exomer Cargo Adaptor Complex 2013-01-03 2013-03-06 Richardson, B.C.,Fromme, J.C. The exomer cargo adaptor features a flexible hinge domain. Structure 2013 21 486 492 4IUL 23478064 MIF4G domain of DAP5 2013-01-21 2013-03-27 Virgili, G.,Frank, F.,Feoktistova, K.,Sawicki, M.,Sonenberg, N.,Fraser, C.S.,Nagar, B. Structural Analysis of the DAP5 MIF4G Domain and Its Interaction with eIF4A. Structure 2013 21 517 527 4IUL 23478064 MIF4G domain of DAP5 2013-01-21 2013-03-27 Virgili, G.,Frank, F.,Feoktistova, K.,Sawicki, M.,Sonenberg, N.,Fraser, C.S.,Nagar, B. Structural Analysis of the DAP5 MIF4G Domain and Its Interaction with eIF4A. Structure 2013 21 517 527 4EF0 Crystal Structure of the first catalytic domain of protein disulfide isomerase P5 2012-03-28 2013-04-03 Vinaik, R.,Kozlov, G.,Gehring, K. Crystal Structure of the first catalytic domain of protein disulfide isomerase P5 To be Published 0 0 0 0 4HYN 23532838 X-ray crystal structure of Thermotoga maritima FliY 2012-11-13 2013-04-03 Sircar, R.,Greenswag, A.R.,Bilwes, A.M.,Gonzalez-Bonet, G.,Crane, B.R. Structure and Activity of the Flagellar Rotor Protein FliY: A MEMBER OF THE CheC PHOSPHATASE FAMILY. J.Biol.Chem. 2013 288 13493 13502 4I6X 23614004 Crystal Structure of Non-catalyic Domain of Protein Disulfide Isomerase-related (PDIr) Protein 2012-11-30 2013-04-03 Vinaik, R.,Kozlov, G.,Gehring, K. Structure of the Non-Catalytic Domain of the Protein Disulfide Isomerase-Related Protein (PDIR) Reveals Function in Protein Binding. Plos One 2013 8 0 0 4JK1 23620295 X-ray crystal structure of Escherichia coli sigma70 holoenzyme in complex with Guanosine tetraphosphate (ppGpp) 2013-03-09 2013-04-10 Mechold, U.,Potrykus, K.,Murphy, H.,Murakami, K.S.,Cashel, M. Differential regulation by ppGpp versus pppGpp in Escherichia coli. Nucleic Acids Res. 2013 41 6175 6189 4JK2 23620295 X-ray crystal structure of Escherichia coli sigma70 holoenzyme in complex with guanosine pentaphosphate (pppGpp) 2013-03-09 2013-04-17 Mechold, U.,Potrykus, K.,Murphy, H.,Murakami, K.S.,Cashel, M. Differential regulation by ppGpp versus pppGpp in Escherichia coli. Nucleic Acids Res. 2013 41 6175 6189 4JRC 23589841 Distal Stem I region from G. kaustophilus glyQS T box RNA 2013-03-21 2013-04-24 Grigg, J.C.,Chen, Y.,Grundy, F.J.,Henkin, T.M.,Pollack, L.,Ke, A. T box RNA decodes both the information content and geometry of tRNA to affect gene expression. Proc.Natl.Acad.Sci.USA 2013 110 7240 7245 4KKP 23687270 Crystal structure of Vibrio cholerae RbmA (crystal form 2) 2013-05-06 2013-05-22 Giglio, K.M.,Fong, J.C.,Yildiz, F.H.,Sondermann, H. Structural Basis for Biofilm Formation via the Vibrio cholerae Matrix Protein RbmA. J.Bacteriol. 2013 195 3277 3286 4KKQ 23687270 Crystal structure of Vibrio cholerae RbmA (crystal form 1) 2013-05-06 2013-05-22 Giglio, K.M.,Fong, J.C.,Yildiz, F.H.,Sondermann, H. Structural Basis for Biofilm Formation via the Vibrio cholerae Matrix Protein RbmA. J.Bacteriol. 2013 195 3277 3286 4KKR 23687270 Crystal structure of Vibrio cholerae RbmA (crystal form 3) 2013-05-06 2013-05-22 Giglio, K.M.,Fong, J.C.,Yildiz, F.H.,Sondermann, H. Structural Basis for Biofilm Formation via the Vibrio cholerae Matrix Protein RbmA. J.Bacteriol. 2013 195 3277 3286 4KMU 23679862 X-ray crystal structure of the Escherichia coli RNA polymerase in complex with Rifampin 2013-05-08 2013-05-22 Molodtsov, V.,Nawarathne, I.N.,Scharf, N.T.,Kirchhoff, P.D.,Showalter, H.D.,Garcia, G.A.,Murakami, K.S. X-ray Crystal Structures of the Escherichia coli RNA Polymerase in Complex with Benzoxazinorifamycins. J.Med.Chem. 2013 56 4758 4763 4KN4 23679862 X-ray crystal structure of the Escherichia coli RNA polymerase in complex with Benzoxazinorifamycin-2b 2013-05-08 2013-05-22 Molodtsov, V.,Nawarathne, I.N.,Scharf, N.T.,Kirchhoff, P.D.,Showalter, H.D.,Garcia, G.A.,Murakami, K.S. X-ray Crystal Structures of the Escherichia coli RNA Polymerase in Complex with Benzoxazinorifamycins. J.Med.Chem. 2013 56 4758 4763 4KN7 23679862 X-ray crystal structure of the Escherichia coli RNA polymerase in complex with Benzoxazinorifamycin-2c 2013-05-08 2013-05-22 Molodtsov, V.,Nawarathne, I.N.,Scharf, N.T.,Kirchhoff, P.D.,Showalter, H.D.,Garcia, G.A.,Murakami, K.S. X-ray Crystal Structures of the Escherichia coli RNA Polymerase in Complex with Benzoxazinorifamycins. J.Med.Chem. 2013 56 4758 4763 4GH8 23733948 Crystal structure of a 'humanized' E. coli dihydrofolate reductase 2012-08-07 2013-06-05 Liu, C.T.,Hanoian, P.,French, J.B.,Pringle, T.H.,Hammes-Schiffer, S.,Benkovic, S.J. Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans. Proc.Natl.Acad.Sci.USA 2013 110 10159 10164 4JRD 23813654 Crystal structure of the parallel double-stranded helix of poly(A) RNA 2013-03-21 2013-06-05 Safaee, N.,Noronha, A.M.,Rodionov, D.,Kozlov, G.,Wilds, C.J.,Sheldrick, G.M.,Gehring, K. Structure of the parallel duplex of poly(A) RNA: evaluation of a 50 year-old prediction. Angew.Chem.Int.Ed.Engl. 2013 52 10370 10373 4JRD 23813654 Crystal structure of the parallel double-stranded helix of poly(A) RNA 2013-03-21 2013-06-05 Safaee, N.,Noronha, A.M.,Rodionov, D.,Kozlov, G.,Wilds, C.J.,Sheldrick, G.M.,Gehring, K. Structure of the parallel duplex of poly(A) RNA: evaluation of a 50 year-old prediction. Angew.Chem.Int.Ed.Engl. 2013 52 10370 10373 4JRD 23813654 Crystal structure of the parallel double-stranded helix of poly(A) RNA 2013-03-21 2013-06-05 Safaee, N.,Noronha, A.M.,Rodionov, D.,Kozlov, G.,Wilds, C.J.,Sheldrick, G.M.,Gehring, K. Structure of the parallel duplex of poly(A) RNA: evaluation of a 50 year-old prediction. Angew.Chem.Int.Ed.Engl. 2013 52 10370 10373 4J7O 23818602 Structure of the N-terminal Repeat Domain of Rickettsia Sca2 2013-02-13 2013-07-03 Madasu, Y.,Suarez, C.,Kast, D.J.,Kovar, D.R.,Dominguez, R. Rickettsia Sca2 has evolved formin-like activity through a different molecular mechanism. Proc.Natl.Acad.Sci.USA 2013 110 0 0 4JZA 23843460 Crystal structure of a Legionella phosphoinositide phosphatase: insights into lipid metabolism in pathogen host interaction 2013-04-02 2013-07-17 Toulabi, L.,Wu, X.,Cheng, Y.,Mao, Y. Identification and structural characterization of a legionella phosphoinositide phosphatase. J.Biol.Chem. 2013 288 24518 24527 4HXB 23704298 Crystal structure of 6B9 FAB 2012-11-09 2013-07-24 Johal, A.R.,Jarrell, H.C.,Letts, J.A.,Khieu, N.H.,Landry, R.C.,Jachymek, W.,Yang, Q.,Jennings, H.J.,Brisson, J.R.,Evans, S.V. The antigen-binding site of an N-propionylated polysialic acid-specific antibody protective against group B meningococci is consistent with extended epitopes. Glycobiology 2013 23 946 954 4GFR Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein 2012-08-03 2013-08-21 Xu, S.,Li, X.,Gu, L.,Roseman, R.,Stock, A.M. Chitin catabolic cascade in the marine bacterium Vibrio cholerae: properties, structure and functions of a periplasmic chitooligosaccharide binding protein (CBP) To be Published 0 0 0 0 4KVL 23934749 Crystal structure of Oryza sativa fatty acid alpha-dioxygenase Y379F with palmitic acid 2013-05-22 2013-08-21 Zhu, G.,Koszelak-Rosenblum, M.,Malkowski, M.G. Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide. Protein Sci. 2013 22 1432 1438 4JPB 23668907 The structure of a ternary complex between CheA domains P4 and P5 with CheW and with an unzipped fragment of TM14, a chemoreceptor analog from Thermotoga maritima. 2013-03-19 2013-08-28 Li, X.,Fleetwood, A.D.,Bayas, C.,Bilwes, A.M.,Ortega, D.R.,Falke, J.J.,Zhulin, I.B.,Crane, B.R. The 3.2 angstrom resolution structure of a receptor: CheA:CheW signaling complex defines overlapping binding sites and key residue interactions within bacterial chemosensory arrays. Biochemistry 2013 52 3852 3865 4GWR Crystal Structure of the second catalytic domain of protein disulfide isomerase P5 2012-09-03 2013-09-04 Vinaik, R.,Kozlov, G.,Gehring, K. To be published To be Published 2013 0 0 0 4L00 24013208 Crystal structure of the apo Jak1 pseudokinase domain 2013-05-30 2013-09-04 Toms, A.V.,Deshpande, A.,McNally, R.,Jeong, Y.,Rogers, J.M.,Kim, C.U.,Gruner, S.M.,Ficarro, S.B.,Marto, J.A.,Sattler, M.,Griffin, J.D.,Eck, M.J. Structure of a pseudokinase-domain switch that controls oncogenic activation of Jak kinases. Nat.Struct.Mol.Biol. 2013 20 1221 1223 4M9R 24065769 Crystal structure of CED-3 2013-08-15 2013-10-09 Huang, W.,Jiang, T.,Choi, W.,Qi, S.,Pang, Y.,Hu, Q.,Xu, Y.,Gong, X.,Jeffrey, P.D.,Wang, J.,Shi, Y.G. Mechanistic insights into CED-4-mediated activation of CED-3 Genes Dev. 2013 27 2039 2048 4MGM 24095061 Crystal structure of the in vitro transcribed G. kaustophilus tRNA-Gly 2013-08-28 2013-10-23 Grigg, J.C.,Ke, A. Structural Determinants for Geometry and Information Decoding of tRNA by T Box Leader RNA. Structure 2013 21 2025 2032 4LR2 24338010 Crystal Structure of Human ENPP4 (apo) 2013-07-19 2013-12-18 Albright, R.A.,Ornstein, D.L.,Cao, W.,Chang, W.C.,Robert, D.,Tehan, M.,Hoyer, D.,Liu, L.,Stabach, P.,Yang, G.,De La Cruz, E.M.,Braddock, D.T. Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke. J.Biol.Chem. 2014 289 3294 3306 4NWY 24662985 Crystal structure of the b' domain of human protein disulfide isomerase-like protein of the testis (PDILT) 2013-12-07 2014-04-02 Bastos-Aristizabal, S.,Kozlov, G.,Gehring, K. Structure of the substrate-binding b' domain of the Protein disulfide isomerase-like protein of the testis. Sci Rep 2014 4 4464 4464 4N6F 24814342 Crystal structure of Amycolatopsis orientalis BexX complexed with G6P 2013-10-11 2014-05-14 Sasaki, E.,Zhang, X.,Sun, H.G.,Lu, M.Y.,Liu, T.L.,Ou, A.,Li, J.Y.,Chen, Y.H.,Ealick, S.E.,Liu, H.W. Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis. Nature 2014 509 427 431 4Q30 24850223 Nitrowillardiine bound to the ligand binding domain of GluA2 at pH 3.5 2014-04-10 2014-06-04 Martinez, M.,Ahmed, A.H.,Loh, A.P.,Oswald, R.E. Thermodynamics and mechanism of the interaction of willardiine partial agonists with a glutamate receptor: implications for drug development. Biochemistry 2014 53 3790 3795 4TRG 25006264 the SNL domain of SidC 2014-06-16 2014-07-02 Hsu, F.,Luo, X.,Qiu, J.,Teng, Y.B.,Jin, J.,Smolka, M.B.,Luo, Z.Q.,Mao, Y. The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling. Proc.Natl.Acad.Sci.USA 2014 111 10538 10543 4TRH 25006264 The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling 2014-06-16 2014-07-02 Hsu, F.,Luo, X.,Qiu, J.,Teng, Y.B.,Jin, J.,Smolka, M.B.,Luo, Z.Q.,Mao, Y. The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling. Proc.Natl.Acad.Sci.USA 2014 111 10538 10543 4V4K 21499245 Bacteriophage P22 Portal Protein bound to middle Tail Factor GP4. This file contain the second biological assembly 2010-04-19 2014-07-09 Olia, A.S.,Prevelige, P.E.,Johnson, J.E.,Cingolani, G. Three-dimensional structure of a viral genome-delivery portal vertex. Nat.Struct.Mol.Biol. 2011 18 597 603 4P66 24977791 Electrostatics of Active Site Microenvironments of E. coli DHFR 2014-03-21 2014-07-16 Liu, C.T.,Layfield, J.P.,Stewart, R.J.,French, J.B.,Hanoian, P.,Asbury, J.B.,Hammes-Schiffer, S.,Benkovic, S.J. Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase. J.Am.Chem.Soc. 2014 136 10349 10360 4P68 24977791 Electrostatics of Active Site Microenvironments for E. coli DHFR 2014-03-22 2014-07-16 Liu, C.T.,Layfield, J.P.,Stewart, R.J.,French, J.B.,Hanoian, P.,Asbury, J.B.,Hammes-Schiffer, S.,Benkovic, S.J. Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase. J.Am.Chem.Soc. 2014 136 10349 10360 4U64 25182848 Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in the apo state 2014-07-27 2014-08-13 Chatterjee, D.,Cooley, R.B.,Boyd, C.D.,Mehl, R.A.,O'Toole, G.A.,Sondermann, H. Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP. Elife 2014 3 0 0 4U65 25182848 Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in complex with Pseudomonas fluorescens LapG 2014-07-27 2014-08-13 Chatterjee, D.,Cooley, R.B.,Boyd, C.D.,Mehl, R.A.,O'Toole, G.A.,Sondermann, H. Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP. Elife 2014 3 0 0 4QQX 25132177 Crystal structure of T. fusca Cas3-ATP 2014-06-30 2014-08-20 Huo, Y.,Nam, K.H.,Ding, F.,Lee, H.,Wu, L.,Xiao, Y.,Farchione, M.D.,Zhou, S.,Rajashankar, K.,Kurinov, I.,Zhang, R.,Ke, A. Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol. 2014 21 771 777 4QQW 25132177 Crystal structure of T. fusca Cas3 2014-06-30 2014-08-27 Huo, Y.,Nam, K.H.,Ding, F.,Lee, H.,Wu, L.,Xiao, Y.,Farchione, M.D.,Zhou, S.,Rajashankar, K.,Kurinov, I.,Zhang, R.,Ke, A. Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol. 2014 21 771 777 4QQY 25132177 Crystal structure of T. fusca Cas3-ADP 2014-06-30 2014-08-27 Huo, Y.,Nam, K.H.,Ding, F.,Lee, H.,Wu, L.,Xiao, Y.,Farchione, M.D.,Zhou, S.,Rajashankar, K.,Kurinov, I.,Zhang, R.,Ke, A. Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol. 2014 21 771 777 4QQZ 25132177 Crystal structure of T. fusca Cas3-AMPPNP 2014-06-30 2014-08-27 Huo, Y.,Nam, K.H.,Ding, F.,Lee, H.,Wu, L.,Xiao, Y.,Farchione, M.D.,Zhou, S.,Rajashankar, K.,Kurinov, I.,Zhang, R.,Ke, A. Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol. 2014 21 771 777 4MJK Crystal structure of a CRISPR protein from Archaeoglobus fulgidus 2013-09-03 2014-09-03 Huang, Q.Q. Crystal structure of a CRISPR protein from Archaeoglobus fulgidus To be Published 0 0 0 0 4Q66 25203211 Structure of Exomer bound to Arf1. 2014-04-21 2014-09-17 Paczkowski, J.E.,Fromme, J.C. Structural basis for membrane binding and remodeling by the exomer secretory vesicle cargo adaptor. Dev.Cell 2014 30 610 624 4OH2 25296320 Crystal Structure of Cu/Zn Superoxide Dismutase I149T 2014-01-16 2014-10-15 Merz, G.E.,Borbat, P.P.,Pratt, A.J.,Getzoff, E.D.,Freed, J.H.,Crane, B.R. Copper-Based Pulsed Dipolar ESR Spectroscopy as a Probe of Protein Conformation Linked to Disease States. Biophys.J. 2014 107 1669 1674 4WJW 25364754 Crystal Structure of the Chs5-Chs6 Exomer Cargo Adaptor Complex Bound to portion of Chs3 2014-10-01 2014-10-15 Weiskoff, A.M.,Fromme, J.C. Distinct N-terminal regions of the exomer secretory vesicle cargo Chs3 regulate its trafficking itinerary. Front Cell Dev Biol 2014 2 47 47 4TSH 25331888 A Novel Protein Fold Forms an Intramolecular Lock to Stabilize the Tertiary Structure of Streptococcus mutans Adhesin P1 2014-06-18 2014-10-22 Heim, K.P.,Crowley, P.J.,Long, J.R.,Kailasan, S.,McKenna, R.,Brady, L.J. An intramolecular lock facilitates folding and stabilizes the tertiary structure of Streptococcus mutans adhesin P1. Proc.Natl.Acad.Sci.USA 2014 111 15746 15751 4WOR Staphylococcal nuclease in complex with Ca2+ and thymidine-3'-5'-diphosphate (pdTp) at room temperature 2014-10-16 2014-10-29 Wall, M.E.,Ealick, S.E.,Gruner, S.M. Three-dimensional diffuse x-ray scattering from crystals of Staphylococcal nuclease. Proc. Natl. Acad. Sci. U.S.A. 1997 0 6180 6184 4PH9 25463020 The structure of Ibuprofen bound to cyclooxygenase-2 2014-05-05 2014-11-26 Orlando, B.J.,Lucido, M.J.,Malkowski, M.G. The structure of ibuprofen bound to cyclooxygenase-2. J.Struct.Biol. 2015 189 62 66 4WO6 25641793 Lysozyme Pre-surface acoustic wave 2014-10-15 2015-02-18 Guo, F.,Zhou, W.,Li, P.,Mao, Z.,Yennawar, N.H.,French, J.B.,Huang, T.J. Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves. Small 2015 11 2733 2737 4WO9 25641793 Lysozyme Post-Surface Acoustic Waves 2014-10-15 2015-02-18 Guo, F.,Zhou, W.,Li, P.,Mao, Z.,Yennawar, N.H.,French, J.B.,Huang, T.J. Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves. Small 2015 11 2733 2737 4XI2 25699547 Crystal Structure of an auto-inhibited form of Bruton's Tryrosine Kinase 2015-01-06 2015-02-25 Wang, Q.,Vogan, E.M.,Nocka, L.M.,Rosen, C.E.,Zorn, J.A.,Harrison, S.C.,Kuriyan, J. Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate. Elife 2015 4 0 0 4XUU The hSac2 domain from human phosphoinositide phosphatase Sac2 2015-01-26 2015-02-25 Hsu, F.,Mao, Y. Structure of the hSac2 domain at 2.62 To Be Published 0 0 0 0 4R8M 25704306 Human SIRT2 crystal structure in complex with BHJH-TM1 2014-09-02 2015-03-11 Teng, Y.B.,Jing, H.,Aramsangtienchai, P.,He, B.,Khan, S.,Hu, J.,Lin, H.,Hao, Q. Efficient Demyristoylase Activity of SIRT2 Revealed by Kinetic and Structural Studies Sci Rep 2015 5 8529 8529 4R8M 25704306 Human SIRT2 crystal structure in complex with BHJH-TM1 2014-09-02 2015-03-11 Teng, Y.B.,Jing, H.,Aramsangtienchai, P.,He, B.,Khan, S.,Hu, J.,Lin, H.,Hao, Q. Efficient Demyristoylase Activity of SIRT2 Revealed by Kinetic and Structural Studies Sci Rep 2015 5 8529 8529 4YG8 23000721 CRYSTAL STRUCTURE OF THE CHS5-CHS6 EXOMER CARGO ADAPTOR COMPLEX 2015-02-26 2015-03-11 Paczkowski, J.E.,Richardson, B.C.,Strassner, A.M.,Fromme, J.C. The exomer cargo adaptor structure reveals a novel GTPase-binding domain. Embo J. 2012 31 4191 4203 4YG2 23389035 X-ray crystal structur of Escherichia coli RNA polymerase sigma70 holoenzyme 2015-02-25 2015-03-18 Murakami, K.S. X-ray crystal structure of Escherichia coli RNA polymerase sigma70 holoenzyme J. Biol. Chem. 2013 288 9126 9134 4P4Q Complex of yeast cytochrome c peroxidase (W191F) with iso-1 cytochrome c 2014-03-12 2015-03-25 Crane, B.R.,Yee, E. Chemical constraints on the radical cation center of cytochrome c peroxidase for long-range electron transfer to be published 0 0 0 0 4XS2 25870132 Irak4-inhibitor co-structure 2015-01-21 2015-05-13 McElroy, W.T.,Michael Seganish, W.,Jason Herr, R.,Harding, J.,Yang, J.,Yet, L.,Komanduri, V.,Prakash, K.C.,Lavey, B.,Tulshian, D.,Greenlee, W.J.,Sondey, C.,Fischmann, T.O.,Niu, X. Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4. Bioorg.Med.Chem.Lett. 2015 25 1836 1841 4QRM 25536293 crystal structure of a binary complex of FliM-FliG middle domains from T.maritima 2014-07-01 2015-06-10 Sircar, R.,Borbat, P.P.,Lynch, M.J.,Bhatnagar, J.,Beyersdorf, M.S.,Halkides, C.J.,Freed, J.H.,Crane, B.R. Assembly states of FliM and FliG within the flagellar switch complex. J.Mol.Biol. 2015 427 867 886 4ZUZ 26067986 SidC 1-871 2015-05-18 2015-07-29 Luo, X.,Wasilko, D.J.,Liu, Y.,Sun, J.,Wu, X.,Luo, Z.Q.,Mao, Y. Structure of the Legionella Virulence Factor, SidC Reveals a Unique PI(4)P-Specific Binding Domain Essential for Its Targeting to the Bacterial Phagosome. Plos Pathog. 2015 11 0 0 4ZYK 26161532 Crystal Structure of Quaternary-Specific RSV-Neutralizing Human Antibody AM14 2015-05-21 2015-07-29 Gilman, M.S.,Moin, S.M.,Mas, V.,Chen, M.,Patel, N.K.,Kramer, K.,Zhu, Q.,Kabeche, S.C.,Kumar, A.,Palomo, C.,Beaumont, T.,Baxa, U.,Ulbrandt, N.D.,Melero, J.A.,Graham, B.S.,McLellan, J.S. Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein. Plos Pathog. 2015 11 0 0 4QYW Structure of phosphono-CheY from T.maritima 2014-07-25 2015-08-19 Beyersdorf, M.S.,Roebuck, J.A.,Sircar, R.,Pavlovsky, A.,Crane, B.R.,Halkides, C.J. Isolation, Phosphonomethylation, and Crystallization of phosphono-CheY from Thermotoga maritima To be Published 0 0 0 0 4ZXQ 26574546 P22 Tail Needle Gp26 1-140 crystallized at pH 3.9 2015-05-20 2015-08-26 Bhardwaj, A.,Sankhala, R.S.,Olia, A.S.,Brooke, D.,Casjens, S.R.,Taylor, D.J.,Prevelige, P.E.,Cingolani, G. Structural Plasticity of the Protein Plug That Traps Newly Packaged Genomes in Podoviridae Virions. J.Biol.Chem. 2016 291 215 226 5BTW 26294765 Structure of the N-terminal domain of lpg1496 from Legionella pneumophila 2015-06-03 2015-08-26 Wong, K.,Kozlov, G.,Zhang, Y.,Gehring, K. Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism. J.Biol.Chem. 2015 290 24727 24737 5BTX 26294765 Structure of the N-terminal domain of lpg1496 from Legionella pneumophila in complex with nucleotide 2015-06-03 2015-08-26 Wong, K.,Kozlov, G.,Zhang, Y.,Gehring, K. Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism. J.Biol.Chem. 2015 290 24727 24737 5BTY 26294765 Structure of the middle domain of lpg1496 from Legionella pneumophila in P21 space group 2015-06-03 2015-08-26 Wong, K.,Kozlov, G.,Zhang, Y.,Gehring, K. Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism. J.Biol.Chem. 2015 290 24727 24737 5BTZ 26294765 Structure of the middle domain of lpg1496 from Legionella pneumophila in P212121 space group 2015-06-03 2015-08-26 Wong, K.,Kozlov, G.,Zhang, Y.,Gehring, K. Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism. J.Biol.Chem. 2015 290 24727 24737 5BU0 26294765 Structure of the C-terminal domain of lpg1496 from Legionella pneumophila 2015-06-03 2015-08-26 Wong, K.,Kozlov, G.,Zhang, Y.,Gehring, K. Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism. J.Biol.Chem. 2015 290 24727 24737 5BU1 26294765 Structure of the truncated C-terminal domain of lpg1496 from Legionella pneumophila 2015-06-03 2015-08-26 Wong, K.,Kozlov, G.,Zhang, Y.,Gehring, K. Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism. J.Biol.Chem. 2015 290 24727 24737 5BU2 26294765 Structure of the C-terminal domain of lpg1496 from Legionella pneumophila in complex with nucleotide 2015-06-03 2015-08-26 Wong, K.,Kozlov, G.,Zhang, Y.,Gehring, K. Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism. J.Biol.Chem. 2015 290 24727 24737 4YUG 26422513 Multiconformer synchrotron model of CypA at 100 K 2015-03-18 2015-10-14 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 4YUH 26422513 Multiconformer synchrotron model of CypA at 150 K 2015-03-18 2015-10-14 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 4YUI 26422513 Multiconformer synchrotron model of CypA at 180 K 2015-03-18 2015-10-14 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 4YUJ 26422513 Multiconformer synchrotron model of CypA at 240 K 2015-03-18 2015-10-14 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 4YUK 26422513 Multiconformer synchrotron model of CypA at 260 K 2015-03-18 2015-10-14 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 4YUL 26422513 Multiconformer synchrotron model of CypA at 280 K 2015-03-18 2015-10-14 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 4YUM 26422513 Multiconformer synchrotron model of CypA at 300 K 2015-03-18 2015-10-14 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 4YUN 26422513 Multiconformer synchrotron model of CypA at 310 K 2015-03-18 2015-10-14 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 4XIV 26522934 Kinase and Dimerization (P3P4) of the Thermotoga maritima CheA kinase 2015-01-07 2015-11-04 Greenswag, A.R.,Muok, A.,Li, X.,Crane, B.R. Conformational Transitions that Enable Histidine Kinase Autophosphorylation and Receptor Array Integration. J.Mol.Biol. 2015 427 3890 3907 4S0H 26926761 TBX5 DB, NKX2.5 HD, ANF DNA Complex 2014-12-31 2015-12-16 Pradhan, L.,Gopal, S.,Li, S.,Ashur, S.,Suryanarayanan, S.,Kasahara, H.,Nam, H.J. Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5. Biochemistry 2016 55 1702 1710 5EUH 26670387 Crystal structure of the c-di-GMP-bound GGDEF domain of P. fluorescens GcbC 2015-11-18 2015-12-30 Dahlstrom, K.M.,Giglio, K.M.,Collins, A.J.,Sondermann, H.,O'Toole, G.A. Contribution of Physical Interactions to Signaling Specificity between a Diguanylate Cyclase and Its Effector. Mbio 2015 6 0 0 5HAS 26765562 Crystal structure of the N-terminal DCB-HUS domain of T. terrestris Sec7 2015-12-30 2016-01-27 Richardson, B.C.,Halaby, S.L.,Gustafson, M.A.,Fromme, J.C. The Sec7 N-terminal regulatory domains facilitate membrane-proximal activation of the Arf1 GTPase. Elife 2016 5 0 0 5EXX 26712005 AAA+ ATPase FleQ from Pseudomonas aeruginosa bound to c-di-GMP 2015-11-24 2016-02-10 Matsuyama, B.Y.,Krasteva, P.V.,Baraquet, C.,Harwood, C.S.,Sondermann, H.,Navarro, M.V. Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA 2016 113 0 0 5EHK 26877024 Crystal structure of tRNA dependent lantibiotic dehydratase MibB from Microbispora sp. 107891 2015-10-28 2016-03-02 Ortega, M.A.,Hao, Y.,Walker, M.C.,Donadio, S.,Sosio, M.,Nair, S.K.,van der Donk, W.A. Structure and tRNA Specificity of MibB, a Lantibiotic Dehydratase from Actinobacteria Involved in NAI-107 Biosynthesis. Cell Chem Biol 2016 23 370 380 5BQD 26926761 Crystal Structure of TBX5 (1-239) Dimer 2015-05-28 2016-03-16 Pradhan, L.,Gopal, S.,Li, S.,Ashur, S.,Suryanarayanan, S.,Kasahara, H.,Nam, H.J. Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5. Biochemistry 2016 55 1702 1710 5FDQ 26859324 Murine COX-2 S530T mutant 2015-12-16 2016-03-16 Lucido, M.J.,Orlando, B.J.,Vecchio, A.J.,Malkowski, M.G. Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry 2016 55 1226 1238 5EGC 26962225 Structure of the Adeno-Associated Virus Serotype 1 sialic acid complex 2015-10-27 2016-03-23 Huang, L.Y.,Patel, A.,Ng, R.,Miller, E.B.,Halder, S.,McKenna, R.,Asokan, A.,Agbandje-McKenna, M. Characterization of the Adeno-Associated Virus 1 and 6 Sialic Acid Binding Site. J.Virol. 2016 90 5219 5230 4Z2Z 27646017 New crystal structure of yeast Ddi1 aspartyl protease reveals substrate engagement mode 2015-03-30 2016-04-13 Trempe, J.F.,Saskova, K.G.,Siva, M.,Ratcliffe, C.D.,Veverka, V.,Hoegl, A.,Menade, M.,Feng, X.,Shenker, S.,Svoboda, M.,Kozisek, M.,Konvalinka, J.,Gehring, K. Structural studies of the yeast DNA damage-inducible protein Ddi1 reveal domain architecture of this eukaryotic protein family. Sci Rep 2016 6 33671 33671 5JDY 27070241 Crystal structure of Burkholderia glumae ToxA Y7F mutant with bound S-adenosylhomocysteine (SAH) and toxoflavin 2016-04-17 2016-05-04 Fenwick, M.K.,Philmus, B.,Begley, T.P.,Ealick, S.E. Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis. Biochemistry 2016 55 2748 2759 5JE0 27070241 Crystal structure of Burkholderia glumae ToxA with bound S-adenosylhomocysteine (SAH) and 1,6-didemethyltoxoflavin 2016-04-17 2016-05-04 Fenwick, M.K.,Philmus, B.,Begley, T.P.,Ealick, S.E. Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis. Biochemistry 2016 55 2748 2759 5JE5 27070241 Crystal structure of Burkholderia glumae ToxA with bound S-adenosylhomocysteine (SAH) and 1-demethyltoxoflavin 2016-04-17 2016-05-04 Fenwick, M.K.,Philmus, B.,Begley, T.P.,Ealick, S.E. Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis. Biochemistry 2016 55 2748 2759 5FI2 26988803 Crystal structure of human GAC in complex with inhibitor UPGL_00009: 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol- 2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide 2015-12-22 2016-05-11 McDermott, L.A.,Iyer, P.,Vernetti, L.,Rimer, S.,Sun, J.,Boby, M.,Yang, T.,Fioravanti, M.,O'Neill, J.,Wang, L.,Drakes, D.,Katt, W.,Huang, Q.,Cerione, R. Design and evaluation of novel glutaminase inhibitors. Bioorg.Med.Chem. 2016 24 1819 1839 5FI6 26988803 Crystal structure of human GAC in complex with inhibitor UPGL_00011: 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide 2015-12-22 2016-05-11 McDermott, L.A.,Iyer, P.,Vernetti, L.,Rimer, S.,Sun, J.,Boby, M.,Yang, T.,Fioravanti, M.,O'Neill, J.,Wang, L.,Drakes, D.,Katt, W.,Huang, Q.,Cerione, R. Design and evaluation of novel glutaminase inhibitors. Bioorg.Med.Chem. 2016 24 1819 1839 5FI7 26988803 Crystal structure of human GAC in complex with inhibitor UPGL_00015: 2-phenyl-~{N}-[5-[(3~{S})-3-[[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]ethanamide 2015-12-22 2016-05-11 McDermott, L.A.,Iyer, P.,Vernetti, L.,Rimer, S.,Sun, J.,Boby, M.,Yang, T.,Fioravanti, M.,O'Neill, J.,Wang, L.,Drakes, D.,Katt, W.,Huang, Q.,Cerione, R. Design and evaluation of novel glutaminase inhibitors. Bioorg.Med.Chem. 2016 24 1819 1839 5I94 26988803 Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019 2016-02-19 2016-05-11 McDermott, L.A.,Iyer, P.,Vernetti, L.,Rimer, S.,Sun, J.,Boby, M.,Yang, T.,Fioravanti, M.,O'Neill, J.,Wang, L.,Drakes, D.,Katt, W.,Huang, Q.,Cerione, R. Design and evaluation of novel glutaminase inhibitors. Bioorg.Med.Chem. 2016 24 1819 1839 5JE6 27070241 Crystal structure of Burkholderia glumae ToxA 2016-04-17 2016-05-11 Fenwick, M.K.,Philmus, B.,Begley, T.P.,Ealick, S.E. Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis. Biochemistry 2016 55 2748 2759 5IC1 27150043 Structural analysis of a talin triple domain module, E1794Y, E1797Y, Q1801Y mutant 2016-02-22 2016-05-18 Zhang, H.,Chang, Y.C.,Huang, Q.,Brennan, M.L.,Wu, J. Structural and Functional Analysis of a Talin Triple-Domain Module Suggests an Alternative Talin Autoinhibitory Configuration. Structure 2016 24 721 729 5D80 27295975 Crystal Structure of Yeast V1-ATPase in the Autoinhibited Form 2015-08-14 2016-06-08 Oot, R.A.,Kane, P.M.,Berry, E.A.,Wilkens, S. Crystal structure of yeast V1-ATPase in the autoinhibited state. Embo J. 2016 35 1694 1706 5JG8 27349982 Crystal structure of human acid sphingomyelinase 2016-04-19 2016-07-06 Xiong, Z.J.,Huang, J.,Poda, G.,Pomes, R.,Prive, G.G. Structure of Human Acid Sphingomyelinase Reveals the Role of the Saposin Domain in Activating Substrate Hydrolysis. J.Mol.Biol. 2016 428 3026 3042 5KTP 27404889 Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound itaconate and Fe4S4 cluster 2016-07-12 2016-07-27 Fenwick, M.K.,Ealick, S.E. Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate. Biochemistry 2016 55 4135 4139 5CIB 27499202 Complex of yeast cytochrome c peroxidase (W191G) bound to 2,4-dimethylaniline with iso-1 cytochrome c 2015-07-11 2016-08-03 Payne, T.M.,Yee, E.F.,Dzikovski, B.,Crane, B.R. Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c. Biochemistry 2016 55 4807 4822 5CIC 27499202 Complex of yeast cytochrome c peroxidase (W191G) bound to 3-aminobenzotrifluoride with iso-1 cytochrome c 2015-07-11 2016-08-03 Payne, T.M.,Yee, E.F.,Dzikovski, B.,Crane, B.R. Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c. Biochemistry 2016 55 4807 4822 5CID 27499202 Complex of yeast cytochrome c peroxidase (W191G) bound to o-toluidine with iso-1 cytochrome c 2015-07-12 2016-08-03 Payne, T.M.,Yee, E.F.,Dzikovski, B.,Crane, B.R. Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c. Biochemistry 2016 55 4807 4822 5CIE 27499202 Complex of yeast cytochrome c peroxidase (W191G) bound to aniline with iso-1 cytochrome c 2015-07-12 2016-08-03 Payne, T.M.,Yee, E.F.,Dzikovski, B.,Crane, B.R. Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c. Biochemistry 2016 55 4807 4822 5CIF 27499202 Complex of yeast cytochrome c peroxidase (W191F) with iso-1 cytochrome c 2015-07-12 2016-08-03 Payne, T.M.,Yee, E.F.,Dzikovski, B.,Crane, B.R. Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c. Biochemistry 2016 55 4807 4822 5CIG 27499202 Complex of yeast cytochrome c peroxidase (W191G) with iso-1 cytochrome c 2015-07-12 2016-08-03 Payne, T.M.,Yee, E.F.,Dzikovski, B.,Crane, B.R. Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c. Biochemistry 2016 55 4807 4822 5CIH 27499202 Complex of yeast cytochrome c peroxidase (W191Y) with iso-1 cytochrome c 2015-07-12 2016-08-03 Payne, T.M.,Yee, E.F.,Dzikovski, B.,Crane, B.R. Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c. Biochemistry 2016 55 4807 4822 5HL1 Crystal structure of glutaminase C in complex with inhibitor CB-839 2016-01-14 2016-08-24 Huang, Q.,Katt, W.P.,McDermott, L.A.,Cerione, R.A. Crystal structure of the clinically relevant glutaminase inhibitot CB-839 in complex with glutaminase C To Be Published 0 0 0 0 5KAS 27687724 Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) with phosphocholine 2016-06-02 2016-10-05 Gorelik, A.,Heinz, L.X.,Illes, K.,Superti-Furga, G.,Nagar, B. Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity. J.Biol.Chem. 2016 291 24054 24064 5K22 27856537 Crystal structure of the complex between human PRL-2 phosphatase in reduced state and Bateman domain of human CNNM3 2016-05-18 2016-10-12 Gulerez, I.,Funato, Y.,Wu, H.,Yang, M.,Kozlov, G.,Miki, H.,Gehring, K. Phosphocysteine in the PRL-CNNM pathway mediates magnesium homeostasis. EMBO Rep. 2016 17 1890 1900 5K23 28246390 Crystal structure of the complex between human phosphatase PRL-2 in the oxidized state with the Bateman domain of human magnesium transporter CNNM3 2016-05-18 2016-10-12 Zhang, H.,Kozlov, G.,Li, X.,Wu, H.,Gulerez, I.,Gehring, K. PRL3 phosphatase active site is required for binding the putative magnesium transporter CNNM3. Sci Rep 2017 7 48 48 5KDG 27923041 Crystal Structure of Salmonella Typhimurium Effector GtgE 2016-06-08 2016-11-16 Xu, C.,Kozlov, G.,Wong, K.,Gehring, K.,Cygler, M. Crystal Structure of the Salmonella Typhimurium Effector GtgE. PLoS ONE 2016 11 0 0 5F5Y WT Drosophila Melanogaster Cycle PAS-B with Bound Ethylene Glycol 2015-12-04 2016-12-07 Manahan, C.C.,Crane, B.R. WT Drosophila Melanogaster Cycle PAS-B with Bound Ethylene Glycol To Be Published 0 0 0 0 5F68 Drosophila Melanogaster Cycle W398A PAS-B with Bound Ethylene Glycol 2015-12-05 2016-12-07 Manahan, C.C.,Crane, B.R. Drosophila Melanogaster Cycle PAS-B with Bound Ethylene Glycol To Be Published 0 0 0 0 5F69 Drosophila Melanogaster Cycle W398A PAS-B with Bound Glycerol 2015-12-05 2016-12-07 Manahan, C.C.,Crane, B.R. Drosophila Melanogaster Cycle PAS-B with Bound Glycerol To Be Published 0 0 0 0 5UAH 28009073 Escherichia coli RNA polymerase and Rifampin complex, RpoB D516V mutant 2016-12-19 2017-01-11 Molodtsov, V.,Scharf, N.T.,Stefan, M.A.,Garcia, G.A.,Murakami, K.S. Structural basis for rifamycin resistance of bacterial RNA polymerase by the three most clinically important RpoB mutations found in Mycobacterium tuberculosis. Mol. Microbiol. 2017 103 1034 1045 5UAJ 28009073 Escherichia coli RNA polymerase RpoB S531L mutant 2016-12-19 2017-01-11 Molodtsov, V.,Scharf, N.T.,Stefan, M.A.,Garcia, G.A.,Murakami, K.S. Structural basis for rifamycin resistance of bacterial RNA polymerase by the three most clinically important RpoB mutations found in Mycobacterium tuberculosis. Mol. Microbiol. 2017 103 1034 1045 5UAL 28009073 Escherichia coli RNA polymerase and Rifampin complex, RpoB S531L mutant 2016-12-19 2017-01-11 Molodtsov, V.,Scharf, N.T.,Stefan, M.A.,Garcia, G.A.,Murakami, K.S. Structural basis for rifamycin resistance of bacterial RNA polymerase by the three most clinically important RpoB mutations found in Mycobacterium tuberculosis. Mol. Microbiol. 2017 103 1034 1045 5UAQ 28009073 Escherichia coli RNA polymerase RpoB H526Y mutant 2016-12-19 2017-01-11 Molodtsov, V.,Scharf, N.T.,Stefan, M.A.,Garcia, G.A.,Murakami, K.S. Structural basis for rifamycin resistance of bacterial RNA polymerase by the three most clinically important RpoB mutations found in Mycobacterium tuberculosis. Mol. Microbiol. 2017 103 1034 1045 5UAC 28009073 Escherichia coli RNA polymerase and Rifampin complex, wild-type 2016-12-19 2017-01-18 Molodtsov, V.,Scharf, N.T.,Stefan, M.A.,Garcia, G.A.,Murakami, K.S. Structural basis for rifamycin resistance of bacterial RNA polymerase by the three most clinically important RpoB mutations found in Mycobacterium tuberculosis. Mol. Microbiol. 2017 103 1034 1045 5TDY 28089452 Structure of cofolded FliFc:FliGn complex from Thermotoga maritima 2016-09-20 2017-01-25 Lynch, M.J.,Levenson, R.,Kim, E.A.,Sircar, R.,Blair, D.F.,Dahlquist, F.W.,Crane, B.R. Co-Folding of a FliF-FliG Split Domain Forms the Basis of the MS:C Ring Interface within the Bacterial Flagellar Motor. Structure 2017 25 317 328 5UAG 28009073 Escherichia coli RNA polymerase mutant - RpoB D516V 2016-12-19 2017-02-08 Molodtsov, V.,Scharf, N.T.,Stefan, M.A.,Garcia, G.A.,Murakami, K.S. Structural basis for rifamycin resistance of bacterial RNA polymerase by the three most clinically important RpoB mutations found in Mycobacterium tuberculosis. Mol. Microbiol. 2017 103 1034 1045 5TDA 28392261 Crystal structure of the UBR-box domain from UBR2 in complex with RLWS N-degron 2016-09-19 2017-03-22 Munoz-Escobar, J.,Matta-Camacho, E.,Cho, C.,Kozlov, G.,Gehring, K. Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase. Structure 2017 25 719 0 5TDB 28392261 Crystal structure of the human UBR-box domain from UBR2 in complex with asymmetrically double methylated arginine peptide 2016-09-19 2017-03-22 Munoz-Escobar, J.,Matta-Camacho, E.,Cho, C.,Kozlov, G.,Gehring, K. Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase. Structure 2017 25 719 0 5TDC 28392261 Crystal structure of the human UBR-box domain from UBR1 in complex with monomethylated arginine peptide. 2016-09-19 2017-03-22 Munoz-Escobar, J.,Matta-Camacho, E.,Cho, C.,Kozlov, G.,Gehring, K. Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase. Structure 2017 25 719 0 5TDD 28392261 Human UBR-box from UBR2 in complex with HIFS peptide 2016-09-19 2017-03-22 Munoz-Escobar, J.,Matta-Camacho, E.,Cho, C.,Kozlov, G.,Gehring, K. Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase. Structure 2017 25 719 0 5UM3 28392261 Crystal structure of the V122L mutant of human UBR-box domain from UBR2 2017-01-26 2017-03-22 Munoz-Escobar, J.,Matta-Camacho, E.,Cho, C.,Kozlov, G.,Gehring, K. Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase. Structure 2017 25 719 0 5VGR 28602821 Human Atlastin-3, GDP-bound 2017-04-11 2017-05-17 O'Donnell, J.P.,Cooley, R.B.,Kelly, C.M.,Miller, K.,Andersen, O.S.,Rusinova, R.,Sondermann, H. Timing and Reset Mechanism of GTP Hydrolysis-Driven Conformational Changes of Atlastin. Structure 2017 25 997 0 5U52 28475752 2 helix minimized version of the B-domain from Protein A (Z34C0 bound to IgG1 Fc (monoclinic form) 2016-12-06 2017-05-24 Ultsch, M.,Braisted, A.,Maun, H.R.,Eigenbrot, C. 3-2-1: Structural insights from stepwise shrinkage of a three-helix Fc-binding domain to a single helix. Protein Eng. Des. Sel. 2017 30 619 625 5V44 29945973 Crystal structure of the SR1 domain of human sacsin 2017-03-08 2017-05-24 Menade, M.,Kozlov, G.,Trempe, J.F.,Pande, H.,Shenker, S.,Wickremasinghe, S.,Li, X.,Hojjat, H.,Dicaire, M.J.,Brais, B.,McPherson, P.S.,Wong, M.J.H.,Young, J.C.,Gehring, K. Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations. J. Biol. Chem. 2018 293 12832 12842 5V45 29945973 Crystal structure of the F270M, K291M, L318M mutant of SR1 domain of human sacsin 2017-03-08 2017-05-24 Menade, M.,Kozlov, G.,Trempe, J.F.,Pande, H.,Shenker, S.,Wickremasinghe, S.,Li, X.,Hojjat, H.,Dicaire, M.J.,Brais, B.,McPherson, P.S.,Wong, M.J.H.,Young, J.C.,Gehring, K. Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations. J. Biol. Chem. 2018 293 12832 12842 5V46 29945973 Crystal structure of the I113M, F270M, K291M, L308M mutant of SR1 domain of human sacsin 2017-03-08 2017-05-24 Menade, M.,Kozlov, G.,Trempe, J.F.,Pande, H.,Shenker, S.,Wickremasinghe, S.,Li, X.,Hojjat, H.,Dicaire, M.J.,Brais, B.,McPherson, P.S.,Wong, M.J.H.,Young, J.C.,Gehring, K. Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations. J. Biol. Chem. 2018 293 12832 12842 5V90 28877505 Crystal structure of ERp29 D-domain in complex with the P-domain of calreticulin 2017-03-22 2017-06-21 Kozlov, G.,Munoz-Escobar, J.,Castro, K.,Gehring, K. Mapping the ER Interactome: The P Domains of Calnexin and Calreticulin as Plurivalent Adapters for Foldases and Chaperones. Structure 2017 25 1415 0 5T8C Crystal structure of lpg1496 under 300 MPa 2016-09-07 2017-08-16 Huang, Q.,Szebenyi, D. Crystal structure of lpg1496 under 300 MPa To Be Published 0 0 0 0 5KW1 33253191 Crystal Structure of the Two Tandem RRM Domains of PUF60 Bound to a Modified AdML Pre-mRNA 3' Splice Site Analogue 2016-07-15 2017-08-23 Hsiao, H.T.,Crichlow, G.V.,Murphy, J.W.,Folta-Stogniew, E.J.,Lolis, E.J.,Braddock, D.T. Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60. Plos One 2020 15 0 0 5KW6 33253191 Two Tandem RRM Domains of PUF60 Bound to an AdML Pre-mRNA 3' Splice Site Analogue with a Modified Binding-Site Nucleic Acid Base 2016-07-15 2017-08-23 Hsiao, H.T.,Crichlow, G.V.,Murphy, J.W.,Folta-Stogniew, E.J.,Lolis, E.J.,Braddock, D.T. Unraveling the mechanism of recognition of the 3' splice site of the adenovirus major late promoter intron by the alternative splicing factor PUF60. Plos One 2020 15 0 0 5VRQ 29175332 Crystal structure of Legionella pneumophila effector AnkC 2017-05-11 2017-11-29 Kozlov, G.,Wong, K.,Wang, W.,Skubak, P.,Munoz-Escobar, J.,Liu, Y.,Siddiqui, N.,Pannu, N.S.,Gehring, K. Ankyrin repeats as a dimerization module. Biochem. Biophys. Res. Commun. 2018 495 1002 1007 5W23 29187732 Crystal Structure of RSV F in complex with 5C4 Fab 2017-06-05 2017-12-06 Tian, D.,Battles, M.B.,Moin, S.M.,Chen, M.,Modjarrad, K.,Kumar, A.,Kanekiyo, M.,Graepel, K.W.,Taher, N.M.,Hotard, A.L.,Moore, M.L.,Zhao, M.,Zheng, Z.Z.,Xia, N.S.,McLellan, J.S.,Graham, B.S. Structural basis of respiratory syncytial virus subtype-dependent neutralization by an antibody targeting the fusion glycoprotein. Nat Commun 2017 8 1877 1877 6B9D 29180453 Human ATL1 mutant - R77A bound to GDP 2017-10-10 2017-12-06 O'Donnell, J.P.,Byrnes, L.J.,Cooley, R.B.,Sondermann, H. A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem. 2018 293 687 700 6B9F 29180453 Human ATL1 mutant - F151S bound to GDPAlF4- 2017-10-10 2017-12-06 O'Donnell, J.P.,Byrnes, L.J.,Cooley, R.B.,Sondermann, H. A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem. 2018 293 687 700 6B9G 29180453 human ATL1 GTPase domain bound to GDP 2017-10-10 2017-12-06 O'Donnell, J.P.,Byrnes, L.J.,Cooley, R.B.,Sondermann, H. A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem. 2018 293 687 700 5UFM 28665591 Crystal structure of Burkholderia thailandensis 1,6-didemethyltoxoflavin-N1-methyltransferase with bound 1,6-didemethyltoxoflavin and S-adenosylhomocysteine 2017-01-05 2017-12-13 Fenwick, M.K.,Almabruk, K.H.,Ealick, S.E.,Begley, T.P.,Philmus, B. Biochemical Characterization and Structural Basis of Reactivity and Regioselectivity Differences between Burkholderia thailandensis and Burkholderia glumae 1,6-Didesmethyltoxoflavin N-Methyltransferase. Biochemistry 2017 56 3934 3944 6B10 29190068 C. Jejuni Agmatine Deiminase 2017-09-15 2017-12-13 Shek, R.,Dattmore, D.A.,Stives, D.P.,Jackson, A.L.,Chatfield, C.H.,Hicks, K.A.,French, J.B. Structural and Functional Basis for Targeting Campylobacter jejuni Agmatine Deiminase To Overcome Antibiotic Resistance. Biochemistry 2017 56 6734 6742 5WJ6 29317493 Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004) 2017-07-21 2018-01-10 Huang, Q.,Stalnecker, C.,Zhang, C.,McDermott, L.A.,Iyer, P.,O'Neill, J.,Reimer, S.,Cerione, R.A.,Katt, W.P. Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism. J. Biol. Chem. 2018 293 3535 3545 6B1I 29300467 Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 2017-09-18 2018-01-17 O'Donnell, J.P.,Marsh, H.M.,Sondermann, H.,Sevier, C.S. Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant. Biochemistry 2018 57 1073 1086 6B1M 29300467 Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 2017-09-18 2018-01-17 O'Donnell, J.P.,Marsh, H.M.,Sondermann, H.,Sevier, C.S. Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant. Biochemistry 2018 57 1073 1086 6B1N 29300467 Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 2017-09-18 2018-01-17 O'Donnell, J.P.,Marsh, H.M.,Sondermann, H.,Sevier, C.S. Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant. Biochemistry 2018 57 1073 1086 6B7P 29795346 Crystal structure of Legionella effector sdeD (lpg2509) 2017-10-04 2018-04-18 Akturk, A.,Wasilko, D.J.,Wu, X.,Liu, Y.,Zhang, Y.,Qiu, J.,Luo, Z.Q.,Reiter, K.H.,Brzovic, P.S.,Klevit, R.E.,Mao, Y. Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector. Nature 2018 557 729 733 6CEQ 29719085 The Aer2 Receptor from Vibrio cholerae is a Dual PAS-Heme Oxygen Sensor 2018-02-12 2018-05-16 Greer-Phillips, S.E.,Sukomon, N.,Chua, T.K.,Johnson, M.S.,Crane, B.R.,Watts, K.J. THE AER2 RECEPTOR FROM VIBRIO CHOLERAE IS A DUAL PAS-HEME OXYGEN SENSOR. Mol. Microbiol. 2018 0 0 0 6CP0 30015617 SdcA in complex with the E2, UbcH5C 2018-03-13 2018-08-01 Wasilko, D.J.,Huang, Q.,Mao, Y. Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC. Elife 2018 7 0 0 6DCG 30034615 Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology 2018-05-06 2018-08-08 Boga, S.B.,Deng, Y.,Zhu, L.,Nan, Y.,Cooper, A.B.,Shipps Jr., G.W.,Doll, R.,Shih, N.Y.,Zhu, H.,Sun, R.,Wang, T.,Paliwal, S.,Tsui, H.C.,Gao, X.,Yao, X.,Desai, J.,Wang, J.,Alhassan, A.B.,Kelly, J.,Patel, M.,Muppalla, K.,Gudipati, S.,Zhang, L.K.,Buevich, A.,Hesk, D.,Carr, D.,Dayananth, P.,Black, S.,Mei, H.,Cox, K.,Sherborne, B.,Hruza, A.W.,Xiao, L.,Jin, W.,Long, B.,Liu, G.,Taylor, S.A.,Kirschmeier, P.,Windsor, W.T.,Bishop, R.,Samatar, A.A. MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett 2018 9 761 767 6DVI 30207005 Wild-type Lactate Monooxygenase from Mycobacterium smegmatis 2018-06-23 2018-10-03 Kean, K.M.,Karplus, P.A. Structure and role for active site lid of lactate monooxygenase from Mycobacterium smegmatis. Protein Sci. 2019 28 135 149 6BCY 30696821 Complex of 14-3-3 theta with an IRSp53 peptide phosphorylated at T360 2017-10-20 2018-10-24 Kast, D.J.,Dominguez, R. Mechanism of IRSp53 inhibition by 14-3-3. Nat Commun 2019 10 483 483 6E8N 30729188 Crystal structure of glycosylated human EPDR1 2018-07-30 2019-01-23 Wei, Y.,Xiong, Z.J.,Li, J.,Zou, C.,Cairo, C.W.,Klassen, J.S.,Prive, G.G. Crystal structures of human lysosomal EPDR1 reveal homology with the superfamily of bacterial lipoprotein transporters. Commun Biol 2019 2 52 52 6E31 30733287 Crystal structure of RIAM in an autoinhibited configuration. 2018-07-12 2019-02-20 Chang, Y.C.,Su, W.,Cho, E.A.,Zhang, H.,Huang, Q.,Philips, M.R.,Wu, J. Molecular basis for autoinhibition of RIAM regulated by FAK in integrin activation. Proc. Natl. Acad. Sci. U.S.A. 2019 116 3524 3529 6O9A 30855131 Crystal structure of MqnA complexed with 3-hydroxybenzoic acid 2019-03-13 2019-04-03 Mahanta, N.,Hicks, K.A.,Naseem, S.,Zhang, Y.,Fedoseyenko, D.,Ealick, S.E.,Begley, T.P. Menaquinone Biosynthesis: Biochemical and Structural Studies of Chorismate Dehydratase. Biochemistry 2019 58 1837 1840 6QRQ 31270241 Apo conformation of chemotaxis sensor ODP 2019-02-19 2019-06-19 Muok, A.R.,Deng, Y.,Gumerov, V.M.,Chong, J.E.,DeRosa, J.R.,Kurniyati, K.,Coleman, R.E.,Lancaster, K.M.,Li, C.,Zhulin, I.B.,Crane, B.R. A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species. Proc.Natl.Acad.Sci.USA 2019 116 14955 14960 6MN6 31864811 Crystal structure of the cytosolic domain of human CNNM3 2018-10-01 2019-10-09 Chen, Y.S.,Kozlov, G.,Fakih, R.,Yang, M.,Zhang, Z.,Kovrigin, E.L.,Gehring, K. Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter. Structure 2020 28 324 0 6PWJ 31796544 Vibrio cholerae LapD S helix-GGDEF-EAL (apo) 2019-07-23 2019-10-09 Kitts, G.,Giglio, K.M.,Zamorano-Sanchez, D.,Park, J.H.,Townsley, L.,Cooley, R.B.,Wucher, B.R.,Klose, K.E.,Nadell, C.D.,Yildiz, F.H.,Sondermann, H. A Conserved Regulatory Circuit Controls Large Adhesins in Vibrio cholerae. Mbio 2019 10 0 0 6PWK 31796544 Vibrio cholerae LapD S helix-GGDEF-EAL (bound to c-di-GMP) 2019-07-23 2019-10-09 Kitts, G.,Giglio, K.M.,Zamorano-Sanchez, D.,Park, J.H.,Townsley, L.,Cooley, R.B.,Wucher, B.R.,Klose, K.E.,Nadell, C.D.,Yildiz, F.H.,Sondermann, H. A Conserved Regulatory Circuit Controls Large Adhesins in Vibrio cholerae. Mbio 2019 10 0 0 6U2U 31577956 Helix-Loop-helix motif of mouse DNA-binding protein inhibitor ID-1 2019-08-20 2019-10-16 Wojnarowicz, P.M.,Lima E Silva, R.,Ohnaka, M.,Lee, S.B.,Chin, Y.,Kulukian, A.,Chang, S.H.,Desai, B.,Garcia Escolano, M.,Shah, R.,Garcia-Cao, M.,Xu, S.,Kadam, R.,Goldgur, Y.,Miller, M.A.,Ouerfelli, O.,Yang, G.,Arakawa, T.,Albanese, S.K.,Garland, W.A.,Stoller, G.,Chaudhary, J.,Norton, L.,Soni, R.K.,Philip, J.,Hendrickson, R.C.,Iavarone, A.,Dannenberg, A.J.,Chodera, J.D.,Pavletich, N.,Lasorella, A.,Campochiaro, P.A.,Benezra, R. A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization. Cell Rep 2019 29 62 0 6P43 31603693 Yeast cytochrome c peroxidase in complex with iso-1 cytochrome c (Y48K) 2019-05-25 2019-10-23 Yee, E.F.,Dzikovski, B.,Crane, B.R. Tuning Radical Relay Residues by Proton Management Rescues Protein Electron Hopping. J.Am.Chem.Soc. 2019 141 17571 17587 6MXY 37773238 Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC3351 2018-10-31 2019-11-27 Cui, G.,Botuyan, M.V.,Drane, P.,Hu, Q.,Bragantini, B.,Thompson, J.R.,Schuller, D.J.,Detappe, A.,Perfetti, M.T.,James, L.I.,Frye, S.V.,Chowdhury, D.,Mer, G. An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering. Nat Commun 2023 14 6091 6091 6MXZ 37773238 Structure of 53BP1 Tudor domains in complex with small molecule UNC3474 2018-10-31 2019-11-27 Cui, G.,Botuyan, M.V.,Drane, P.,Hu, Q.,Bragantini, B.,Thompson, J.R.,Schuller, D.J.,Detappe, A.,Perfetti, M.T.,James, L.I.,Frye, S.V.,Chowdhury, D.,Mer, G. An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering. Nat Commun 2023 14 6091 6091 6OFY 31469551 Crystal Structure of Arachidonic Acid bound to V349I murine COX-2 2019-04-01 2020-02-05 Dong, L.,Anderson, A.J.,Malkowski, M.G. Arg-513 and Leu-531 Are Key Residues Governing Time-Dependent Inhibition of Cyclooxygenase-2 by Aspirin and Celebrex. Biochemistry 2019 58 3990 4002 6WUR Crystal structure of PRL-2 phosphatase C101D mutant in complex with the Bateman domain of CNNM3 magnesium transporter 2020-05-05 2020-07-01 Kozlov, G.,Funato, Y.,Chen, S.,Zhang, Z.,Illes, K.,Miki, H.,Gehring, K. Crystal structure of PRL phosphatase C104D mutant in complex with the Bateman domain of CNNM magnesium transporter J.Biol.Chem. 2020 0 0 0 6PLN 33257704 X-ray crystal structure of Pyrococcus furiosus general transcription factor TFE-alpha 2019-07-01 2020-07-08 Jun, S.H.,Hyun, J.,Cha, J.S.,Kim, H.,Bartlett, M.S.,Cho, H.S.,Murakami, K.S. Direct binding of TFE alpha opens DNA binding cleft of RNA polymerase. Nat Commun 2020 11 6123 6123 6XJF 33257704 X-ray crystal structure of Pyrococcus furiosus general transcription factor TFE-alpha (SeMet labeled protein) 2020-06-23 2020-07-08 Jun, S.H.,Hyun, J.,Cha, J.S.,Kim, H.,Bartlett, M.S.,Cho, H.S.,Murakami, K.S. Direct binding of TFE alpha opens DNA binding cleft of RNA polymerase. Nat Commun 2020 11 6123 6123 6UJG Crystal structure of human GAC in complex with inhibitor UPGL00012 2019-10-03 2020-10-07 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published 0 0 0 0 6UJM Crystal structure of human GAC in complex with inhibitor UPGL00013 2019-10-03 2020-10-07 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00013 To Be Published 0 0 0 0 6UK6 Crystal structure of human GAC in complex with inhibitor UPGL00018 2019-10-04 2020-10-07 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00018 To Be Published 0 0 0 0 6UKB Crystal structure of human GAC in complex with inhibitor UPGL00012 2019-10-04 2020-10-07 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00020 To Be Published 0 0 0 0 6UL9 Crystal structure of human GAC in complex with inhibitor UPGL00023 2019-10-07 2020-10-14 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published 0 0 0 0 6ULA Crystal structure of human GAC in complex with inhibitor UPGL00012 2019-10-07 2020-10-14 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00030 To Be Published 0 0 0 0 6ULJ Crystal structure of human GAC in complex with inhibitor UPGL00012 2019-10-08 2020-10-14 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00045 To Be Published 0 0 0 0 6UMC Crystal structure of human GAC in complex with inhibitor UPGL00012 2019-10-09 2020-10-14 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published 0 0 0 0 6UMD Crystal structure of human GAC in complex with inhibitor UPGL00012 2019-10-09 2020-10-14 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published 0 0 0 0 6UME Crystal structure of human GAC in complex with inhibitor UPGL00012 2019-10-09 2020-10-14 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published 0 0 0 0 6UMF Crystal structure of human GAC in complex with inhibitor UPGL00012 2019-10-09 2020-10-14 Huang, Q.,Cerione, R.A. Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published 0 0 0 0 7LBN 35217718 X-ray crystal structure of the SARS-CoV-2 main protease with Calpain I Inhibitor 2021-01-08 2021-02-24 Narayanan, A.,Narwal, M.,Majowicz, S.A.,Varricchio, C.,Toner, S.A.,Ballatore, C.,Brancale, A.,Murakami, K.S.,Jose, J. Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay. Commun Biol 2022 5 169 169 7LKD 35217718 X-ray crystal structure of the SARS-CoV-2 main protease in space group P21. 2021-02-02 2021-04-14 Narayanan, A.,Narwal, M.,Majowicz, S.A.,Varricchio, C.,Toner, S.A.,Ballatore, C.,Brancale, A.,Murakami, K.S.,Jose, J. Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay. Commun Biol 2022 5 169 169 7LKE 35217718 X-ray crystal structure of the SARS-CoV-2 main protease in space group C2 2021-02-02 2021-04-14 Narayanan, A.,Narwal, M.,Majowicz, S.A.,Varricchio, C.,Toner, S.A.,Ballatore, C.,Brancale, A.,Murakami, K.S.,Jose, J. Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay. Commun Biol 2022 5 169 169 6XJN 34546351 Human atlastin-1 (residues 1-439) bound to GDP-Mg2+ exhibits an ordered amino terminus 2020-06-24 2021-06-30 Kelly, C.M.,Byrnes, L.J.,Neela, N.,Sondermann, H.,O'Donnell, J.P. The hypervariable region of atlastin-1 is a site for intrinsic and extrinsic regulation. J.Cell Biol. 2021 220 0 0 7LFI 34176438 MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE REFINED AT 1.70 ANGSTROMS RESOLUTION 2021-01-17 2021-07-14 Strand, A.,Shen, S.T.,Tomchick, D.R.,Wang, J.,Wang, C.R.,Deisenhofer, J. Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides. J.Biomol.Struct.Dyn. 2022 40 10300 10312 7LFJ 34176438 MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, ALA MUTANT, REFINED AT 1.70 ANGSTROMS RESOLUTION 2021-01-17 2021-07-14 Strand, A.,Shen, S.T.,Tomchick, D.R.,Wang, J.,Wang, C.R.,Deisenhofer, J. Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides. J.Biomol.Struct.Dyn. 2022 40 10300 10312 7LFK 34176438 MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, THR MUTANT, REFINED AT 1.60 ANGSTROMS RESOLUTION 2021-01-17 2021-07-14 Strand, A.,Shen, S.T.,Tomchick, D.R.,Wang, J.,Wang, C.R.,Deisenhofer, J. Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides. J.Biomol.Struct.Dyn. 2022 40 10300 10312 7LFL 34176438 MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, VAL MUTANT, MONOCLINIC CELL, REFINED AT 1.60 ANGSTROMS RESOLUTION 2021-01-17 2021-07-14 Strand, A.,Shen, S.T.,Tomchick, D.R.,Wang, J.,Wang, C.R.,Deisenhofer, J. Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides. J.Biomol.Struct.Dyn. 2022 40 10300 10312 7LFM 34176438 MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, VAL MUTANT, TRICLINIC CELL, REFINED AT 1.60 ANGSTROMS RESOLUTION 2021-01-17 2021-07-14 Strand, A.,Shen, S.T.,Tomchick, D.R.,Wang, J.,Wang, C.R.,Deisenhofer, J. Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides. J.Biomol.Struct.Dyn. 2022 40 10300 10312 6XKN Class III PreQ1 riboswitch mutant A52G 2020-06-26 2021-12-29 Srivastava, K.Y.,Jenkins, J.L.,Wedekind, J.E. New insights into Class III PreQ1 metabolite binding To Be Published 0 0 0 0 6XKO Class III PreQ1 riboswitch mutant A84G 2020-06-26 2021-12-29 Srivastava, K.Y.,Jenkins, J.L.,Wedekind, J.E. New insights into Class III PreQ1 metabolite binding To Be Published 0 0 0 0 7QCF X-ray crystallographic structure of E. coli K-12 glycyl-tRNA synthetase alpha subunit (glyQ) 2021-11-23 2022-05-04 Weeks, S.D.,Munawar, A.H. Structure of E. coli K-12 glycyl-tRNA synthetase alpha subunit (glyQ) To Be Published 0 0 0 0 7UD0 35916222 Room Temperature Drosophila Cryptochrome 2022-03-17 2022-08-24 Schneps, C.M.,Ganguly, A.,Crane, B.R. Room-temperature serial synchrotron crystallography of Drosophila cryptochrome. Acta Crystallogr D Struct Biol 2022 78 975 985 8DZO 36369712 Crystal structure of human Sar1T39N mutant 2022-08-08 2022-11-30 Huang, Q.,Szebenyi, D.M.E. The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins 2023 91 518 531 8DZT 36369712 Crystal structure of human Sar1aH79G mutant 2022-08-08 2022-11-30 Huang, Q.,Szebenyi, D.M.E. The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins 2023 91 518 531 8E0A 36369712 Crystal structure of human Sar1b 2022-08-08 2022-11-30 Huang, Q.,Szebenyi, D.M.E. The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins 2023 91 518 531 8CT5 36867659 Catalytic Core Domain of HIV-1 Integrase (F185K) 2022-05-13 2023-02-15 Eilers, G.,Gupta, K.,Allen, A.,Montermoso, S.,Murali, H.,Sharp, R.,Hwang, Y.,Bushman, F.D.,Van Duyne, G. Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization. Plos Pathog. 2023 19 0 0 8CT7 36867659 Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436 2022-05-13 2023-02-15 Eilers, G.,Gupta, K.,Allen, A.,Montermoso, S.,Murali, H.,Sharp, R.,Hwang, Y.,Bushman, F.D.,Van Duyne, G. Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization. Plos Pathog. 2023 19 0 0 8DZM 36369712 Crystal structure of human Sar1a in complex with ppGpp and Magnesium 2022-08-08 2023-08-16 Huang, Q.,Szebenyi, D.M.E. The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins 2023 91 518 531 8DZN 36369712 Crystal structure of human Sar1a in complex with GDP 2022-08-08 2023-08-16 Huang, Q.,Szebenyi, D.M.E. The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins 2023 91 518 531 8E0B 36369712 Crystal structure of human Sar1bT39N 2022-08-08 2023-08-16 Huang, Q.,Szebenyi, D.M.E. The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins 2023 91 518 531 8E0C 36369712 Crystal structure of human Sar1bH79G 2022-08-08 2023-08-16 Huang, Q.,Szebenyi, D.M.E. The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins 2023 91 518 531