PDB_ID PUBMED_CID STRUCTURE TITLE DEPOSITION DATE RELEASE DATE AUTHORS CITATION TITLE JOURNAL YEAR VOLUME FIRST PAGE LAST PAGE 1JIH 11545743 Yeast DNA Polymerase ETA 2001-07-02 2002-01-09 Trincao, J.,Johnson, R.E.,Escalante, C.R.,Prakash, S.,Prakash, L.,Aggarwal, A.K. Structure of the catalytic core of S. cerevisiae DNA polymerase eta: implications for translesion DNA synthesis Mol.Cell 2001 8 417 426 1PSU 16464851 Structure of the E. coli PaaI protein from the phyenylacetic acid degradation operon 2003-06-21 2003-07-08 Song, F.,Zhuang, Z.,Finci, L.,Dunaway-Mariano, D.,Kniewel, R.,Buglino, J.A.,Solorzano, V.,Wu, J.,Lima, C.D. Structure, function, and mechanism of the phenylacetate pathway hot dog-fold thioesterase PaaI. J.Biol.Chem. 2006 281 11028 11038 1PSW Structure of E. coli ADP-heptose lps heptosyltransferase II 2003-06-21 2003-07-08 Kniewel, R.,Buglino, J.,Solorzano, V.,Wu, J.,Lima, C.D. Structure of E. coli ADP-heptose lps heptosyltransferase II To be Published 0 0 0 0 1PUG Structure of E. coli Ybab 2003-06-24 2003-07-08 Kniewel, R.,Buglino, J.,Chadna, T.,Lima, C.D. Structure of E. coli Ybab To be Published 0 0 0 0 1PUI Structure of EngB GTPase 2003-06-24 2003-07-08 Kniewel, R.,Buglino, J.,Lima, C.D. Structure of an EngB GTPase To be Published 0 0 0 0 1Q2W X-Ray Crystal Structure of the SARS Coronavirus Main Protease 2003-07-26 2003-07-29 Bonanno, J.B.,Fowler, R.,Gupta, S.,Hendle, J.,Lorimer, D.,Romero, R.,Sauder, J.M.,Wei, C.L.,Liu, E.T.,Burley, S.K.,Harris, T. Company Says It Mapped Part of SARS Virus New York Times 2003 30 0 0 1Q98 Structure of a Thiol Peroxidase from Haemophilus influenzae Rd 2003-08-22 2003-09-09 Kniewel, R.,Buglino, J.,Solorzano, V.,Wu, J.,Lima, C.D. Structure of a Thiol Peroxidase from Haemophilus influenzae Rd To be Published 0 0 0 0 1PQY 14993676 Crystal structure of formyl-coA transferase yfdW from E. coli 2003-06-19 2003-09-30 Gogos, A.,Gorman, J.,Shapiro, L. Structure of Escherichia coli YfdW, a type III CoA transferase. Acta Crystallogr.,Sect.D 2004 60 507 511 1Q6Y 14993676 Hypothetical protein YfdW from E. coli bound to Coenzyme A 2003-08-14 2003-09-30 Gogos, A.,Gorman, J.,Shapiro, L. Structure of Escherichia coli YfdW, a type III CoA transferase. Acta Crystallogr.,Sect.D 2004 60 507 511 1Q7E 14993676 Crystal Structure of YfdW protein from E. coli 2003-08-18 2003-09-30 Gogos, A.,Gorman, J.,Shapiro, L. Structure of Escherichia coli YfdW, a type III CoA transferase. Acta Crystallogr.,Sect.D 2004 60 507 511 1Q7E 14993676 Crystal Structure of YfdW protein from E. coli 2003-08-18 2003-09-30 Gogos, A.,Gorman, J.,Shapiro, L. Structure of Escherichia coli YfdW, a type III CoA transferase. Acta Crystallogr.,Sect.D 2004 60 507 511 1Q3H 14685259 mouse CFTR NBD1 with AMP.PNP 2003-07-29 2003-12-09 Lewis, H.A.,Buchanan, S.G.,Burley, S.K.,Conners, K.,Dickey, M.,Dorwart, M.,Fowler, R.,Gao, X.,Guggino, W.B.,Hendrickson, W.A.,Hunt, J.F.,Kearins, M.C.,Lorimer, D.,Maloney, P.C.,Post, K.W.,Rajashankar, K.R.,Rutter, M.E.,Sauder, J.M.,Shriver, S.,Thibodeau, P.H.,Thomas, P.J.,Zhang, M.,Zhao, X.,Emtage, S. Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator. Embo J. 2004 23 282 293 1R0Y 14685259 Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ADP 2003-09-23 2003-12-09 Lewis, H.A.,Buchanan, S.G.,Burley, S.K.,Conners, K.,Dickey, M.,Dorwart, M.,Fowler, R.,Gao, X.,Guggino, W.B.,Hendrickson, W.A.,Hunt, J.F.,Kearins, M.C.,Lorimer, D.,Maloney, P.C.,Post, K.W.,Rajashankar, K.R.,Rutter, M.E.,Sauder, J.M.,Shriver, S.,Thibodeau, P.H.,Thomas, P.J.,Zhang, M.,Zhao, X.,Emtage, S. Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator. Embo J. 2004 23 282 293 1R0Z 14685259 Phosphorylated Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP 2003-09-23 2003-12-09 Lewis, H.A.,Buchanan, S.G.,Burley, S.K.,Conners, K.,Dickey, M.,Dorwart, M.,Fowler, R.,Gao, X.,Guggino, W.B.,Hendrickson, W.A.,Hunt, J.F.,Kearins, M.C.,Lorimer, D.,Maloney, P.C.,Post, K.W.,Rajashankar, K.R.,Rutter, M.E.,Sauder, J.M.,Shriver, S.,Thibodeau, P.H.,Thomas, P.J.,Zhang, M.,Zhao, X.,Emtage, S. Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator. Embo J. 2004 23 282 293 1S0U 14688270 eIF2gamma apo 2004-01-04 2004-01-20 Roll-Mecak, A.,Alone, P.,Cao, C.,Dever, T.E.,Burley, S.K. X-ray Structure of Translation Initiation Factor eIF2gamma: IMPLICATIONS FOR tRNA AND eIF2alpha BINDING. J.Biol.Chem. 2004 279 10634 10642 1RI2 14731396 Structure and mechanism of mRNA cap (guanine N-7) methyltransferase 2003-11-16 2004-02-03 Fabrega, C.,Hausmann, S.,Shen, V.,Shuman, S.,Lima, C.D. Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase Mol.Cell 2004 13 77 89 1RI5 14731396 Structure and mechanism of mRNA cap (guanine N-7) methyltransferase 2003-11-16 2004-02-03 Fabrega, C.,Hausmann, S.,Shen, V.,Shuman, S.,Lima, C.D. Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase Mol.Cell 2004 13 77 89 1ST0 15068804 Structure of DcpS bound to m7GpppG 2004-03-24 2004-04-13 Gu, M.,Fabrega, C.,Liu, S.W.,Liu, H.,Kiledjian, M.,Lima, C.D. Insights into the structure, mechanism, and regulation of scavenger mRNA decapping activity Mol.Cell 2004 14 67 80 1SZQ Crystal Structure of 2-methylcitrate dehydratase 2004-04-06 2004-04-27 Rajashankar, K.R.,Kniewel, R.,Solorzano, V.,Lima, C.D. Crystal structure of 2-methylcitrate dehydratase To be Published 0 0 0 0 1T35 CRYSTAL STRUCTURE OF A HYPOTHETICAL PROTEIN YVDD- A PUTATIVE LYSINE DECARBOXYLASE 2004-04-23 2004-05-04 Rajashankar, K.R.,Kniewel, R.,Solorzano, V.,Lima, C.D. Crystal Structure of a Hypothetical Protein Yvdd - Putative Lysine Decarboxylase To be Published 0 0 0 0 1T3U Unknown conserved bacterial protein from Pseudomonas aeruginosa PAO1 2004-04-27 2004-05-04 Rajashankar, K.R.,Kneiwel, R.,Solorzano, V.,Lima, C.D. Structure of a conserved hypothetical protein Pseudomonas aeruginosa PA01 To be Published 0 0 0 0 1T5J Crystal structure of ribosylglycohydrolase MJ1187 from Methanococcus jannaschii 2004-05-04 2004-05-11 Gogos, A.,Gorman, J.,Shapiro, L. Crystal structure of Hypothetical protein MJ1187 from Methanococcus jannaschii To be Published 0 0 0 0 1RGX 15155948 Crystal Structure of resisitin 2003-11-13 2004-06-08 Patel, S.D.,Rajala, M.W.,Rossetti, L.,Scherer, P.E.,Shapiro, L. Disulfide-dependent multimeric assembly of resistin family hormones Science 2004 304 1154 1158 1TLT Crystal Structure of a Putative Oxidoreductase (VIRULENCE FACTOR mviM HOMOLOG) 2004-06-09 2004-06-22 RAJASHANKAR, K.R.,SOLORZANO, V.,KNIEWEL, R.,LIMA, C.D. Crystal Structure of a Putative Oxidoreductase (VIRULENCE FACTOR mviM HOMOLOG) To be Published 0 0 0 0 1TO3 Structure of yiht from Salmonella typhimurium 2004-06-11 2004-06-22 Gorman, J.,Shapiro, L. Structure of yiht from Salmonella typhimurium To be Published 0 0 0 0 1TO6 Glycerate kinase from Neisseria meningitidis (serogroup A) 2004-06-13 2004-06-22 RAJASHANKAR, K.R.,KNIEWEL, R.,SOLORZANO, V.,LIMA, C.D. Glycerate kinase from Neisseria meningitidis (serogroup A) To be Published 0 0 0 0 1U8S Crystal structure of putative glycine cleavage system transcriptional repressor 2004-08-06 2004-08-17 Kumaran, D.,Swaminathan, S. Crystal structure of putative glycine cleavage system transcriptional repressor To be Published 0 0 0 0 1S80 15333931 Structure of Serine Acetyltransferase from Haemophilis influenzae Rd 2004-01-30 2004-08-31 Gorman, J.,Shapiro, L. Structure of serine acetyltransferase from Haemophilus influenzae Rd. Acta Crystallogr.,Sect.D 2004 60 1600 1605 1TTU 15297877 Crystal Structure of CSL bound to DNA 2004-06-23 2004-08-31 Kovall, R.A.,Hendrickson, W.A. Crystal structure of the nuclear effector of Notch signaling, CSL, bound to DNA Embo J. 2004 23 3441 3451 1TGZ 15296745 Structure of human Senp2 in complex with SUMO-1 2004-05-31 2004-09-14 Reverter, D.,Lima, C.D. A basis for SUMO protease specificity provided by analysis of human Senp2 and a Senp2-SUMO complex Structure 2004 12 1519 1531 1XEA Crystal structure of a Gfo/Idh/MocA family oxidoreductase from Vibrio cholerae 2004-09-09 2004-09-28 R Rajashankar, K.,Reynes, J.A.,Kniewel, R.,Lima, C.D. Crystal structure of a Gfo/Idh/MocA family oxidoreductase from Vibrio cholerae To be Published 0 0 0 0 1XRH Crystal Structure of Ureidoglycolate Dehydrogenase from Escherichia Coli 2004-10-14 2004-10-26 Rajashankar, K.R.,Kniewel, R.,Lima, C.D. Crystal Structure of Ureidoglycolate Dehydrogenase from Escherichia Coli To be Published 0 0 0 0 1XBA 15507431 Crystal structure of apo syk tyrosine kinase domain 2004-08-30 2004-11-02 Atwell, S.,Adams, J.M.,Badger, J.,Buchanan, M.D.,Feil, I.K.,Froning, K.J.,Gao, X.,Hendle, J.,Keegan, K.,Leon, B.C.,Muller-Deickmann, H.J.,Nienaber, V.L.,Noland, B.W.,Post, K.,Rajashankar, K.R.,Ramos, A.,Russell, M.,Burley, S.K.,Buchanan, S.G. A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase. J.Biol.Chem. 2004 279 55827 55832 1XBB 15507431 Crystal structure of the syk tyrosine kinase domain with Gleevec 2004-08-30 2004-11-02 Atwell, S.,Adams, J.M.,Badger, J.,Buchanan, M.D.,Feil, I.K.,Froning, K.J.,Gao, X.,Hendle, J.,Keegan, K.,Leon, B.C.,Muller-Deickmann, H.J.,Nienaber, V.L.,Noland, B.W.,Post, K.,Rajashankar, K.R.,Ramos, A.,Russell, M.,Burley, S.K.,Buchanan, S.G. A Novel Mode of Gleevec Binding Is Revealed by the Structure of Spleen Tyrosine Kinase J.Biol.Chem. 2004 279 55827 55832 1XBC 15507431 Crystal structure of the syk tyrosine kinase domain with Staurosporin 2004-08-30 2004-11-02 Atwell, S.,Adams, J.M.,Badger, J.,Buchanan, M.D.,Feil, I.K.,Froning, K.J.,Gao, X.,Hendle, J.,Keegan, K.,Leon, B.C.,Muller-Deickmann, H.J.,Nienaber, V.L.,Noland, B.W.,Post, K.,Rajashankar, K.R.,Ramos, A.,Russell, M.,Burley, S.K.,Buchanan, S.G. A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase J.Biol.Chem. 2004 279 55827 55832 1XMI 15528182 Crystal structure of human F508A NBD1 domain with ATP 2004-10-02 2004-11-09 Lewis, H.A.,Zhao, X.,Wang, C.,Sauder, J.M.,Rooney, I.,Noland, B.W.,Lorimer, D.,Kearins, M.C.,Conners, K.,Condon, B.,Maloney, P.C.,Guggino, W.B.,Hunt, J.F.,Emtage, S. Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure J.Biol.Chem. 2005 280 1346 1353 1XMJ 15528182 Crystal structure of human deltaF508 human NBD1 domain with ATP 2004-10-02 2004-11-09 Lewis, H.A.,Zhao, X.,Wang, C.,Sauder, J.M.,Rooney, I.,Noland, B.W.,Lorimer, D.,Kearins, M.C.,Conners, K.,Condon, B.,Maloney, P.C.,Guggino, W.B.,Hunt, J.F.,Emtage, S. Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure J.Biol.Chem. 2005 280 1346 1353 1XLY 15537539 X-RAY STRUCTURE OF THE RNA-BINDING PROTEIN SHE2p 2004-09-30 2004-11-16 Niessing, D.,Huettelmaier, S.,Zenklusen, D.,Singer, R.H.,Burley, S.K. She2p is a novel RNA binding protein with a basic helical hairpin motif Cell(Cambridge,Mass.) 2004 119 491 502 1XXL The crystal structure of YcgJ protein from Bacillus subitilis at 2.1 A resolution 2004-11-05 2004-11-23 Burke, T.A.,Gorman, J.,Shapiro, L. The crystal structure of YcgJ protein from Bacillus subitilis at 2.1 A resolution To be Published 0 0 0 0 1TR9 Structure of beta-hexosaminidase from Vibrio cholerae 2004-06-21 2004-12-14 Gorman, J.,Shapiro, L. Structure of beta-hexosaminidase from Vibrio cholerae To be Published 0 0 0 0 1TSJ Crystal structure of protein from Staphylococcus aureus 2004-06-21 2004-12-14 Min, T.,Gorman, J.,Shapiro, L. The crystal structure of conserved hypothetical protein To be Published 0 0 0 0 1TT7 Crystal structure of Bacillus subtilis protein yhfP 2004-06-22 2004-12-14 Min, T.,Gorman, J.,Shapiro, L. The structural study of Hypothetical protein yhfp To be Published 0 0 0 0 1U6L Crystal structure of protein PA1353 from Pseudomonas aeruginosa 2004-07-30 2004-12-14 Min, T.,Mu, H.,Shapiro, L. The crystal structure of a hypothetical protein from Pseudomonas aeruginosa To be Published 0 0 0 0 1U6M The crystal structure of acetyltransferase 2004-07-30 2004-12-14 Min, T.,Gorman, J.,Shapiro, L. The crystal structure of acetyltransferase, GNAT family from Enterococcus faecalis To be Published 0 0 0 0 1Y9E Crystal structure of Bacillus subtilis protein yhfP with NAD bound 2004-12-15 2004-12-21 Min, T.,Gorman, J.,Shapiro, L.,New York Structural Genomics Research Consortium (NYSGRC) The crystal structure of hypothetical protein yhfP from Bacillus subtilis To be Published 0 0 0 0 1Y9I 16838328 Crystal structure of low temperature requirement C protein from Listeria monocytogenes 2004-12-15 2004-12-28 Kumaran, D.,Bonanno, J.B.,Burley, S.K.,Swaminathan, S. Crystal structure of phosphatidylglycerophosphatase (PGPase), a putative membrane-bound lipid phosphatase, reveals a novel binuclear metal binding site and two ""proton wires"". Proteins 2006 64 851 862 1YDG 16322580 Crystal Structure of Trp repressor binding protein WrbA 2004-12-23 2005-01-04 Gorman, J.,Shapiro, L. Crystal structures of the tryptophan repressor binding protein WrbA and complexes with flavin mononucleotide. Protein Sci. 2005 14 3004 3012 1XWD 15662415 Crystal Structure of Human Follicle Stimulating Hormone Complexed with its Receptor 2004-10-30 2005-01-25 Fan, Q.R.,Hendrickson, W.A. Structure of human follicle-stimulating hormone in complex with its receptor. Nature 2005 433 269 277 1Y8Q 15660128 SUMO E1 ACTIVATING ENZYME SAE1-SAE2-MG-ATP COMPLEX 2004-12-13 2005-01-25 Lois, L.M.,Lima, C.D. Structures of the SUMO E1 provide mechanistic insights into SUMO activation and E2 recruitment to E1 Embo J. 2005 24 439 451 1Y8R 15660128 SUMO E1 ACTIVATING ENZYME SAE1-SAE2-SUMO1-MG-ATP COMPLEX 2004-12-13 2005-01-25 Lois, L.M.,Lima, C.D. Structures of the SUMO E1 provide mechanistic insights into SUMO activation and E2 recruitment to E1 Embo J. 2005 24 439 451 1YRH 16322580 Crystal Structure Of Trp Repressor Binding Protein Wrba in complex with FMN 2005-02-03 2005-02-15 Gorman, J.,Shapiro, L. Crystal structures of the tryptophan repressor binding protein WrbA and complexes with flavin mononucleotide. Protein Sci. 2005 14 3004 3012 1YW1 Structure Of Ytnj From Bacillus Subtilis in complex with FMN 2005-02-16 2005-03-01 Gorman, J.,Shapiro, L. Structure Of Ytnj From Bacillus Subtilis in complex with FMN To be Published 0 0 0 0 1Z9D Crystal structure of a putative uridylate kinase (UMP-kinase) from Streptococcus pyogenes 2005-04-01 2005-04-19 Rajashankar, K.R.,Kniewel, R.,Lee, K.,Lima, C.D. Crystal structure of a putative uridylate kinase (UMP-kinase) from Streptococcus pyogenes To be Published 0 0 0 0 1Z5S 15931224 Crystal structure of a complex between UBC9, SUMO-1, RANGAP1 and NUP358/RANBP2 2005-03-19 2005-06-07 Reverter, D.,Lima, C.D. Insights into E3 ligase activity revealed by a SUMO-RanGAP1-Ubc9-Nup358 complex. Nature 2005 435 687 692 1ZXE 15964839 Crystal Structure of eIF2alpha Protein Kinase GCN2: D835N Inactivating Mutant in Apo Form 2005-06-07 2005-06-21 Padyana, A.K.,Qiu, H.,Roll-Mecak, A.,Hinnebusch, A.G.,Burley, S.K. Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2 J.Biol.Chem. 2005 280 29289 29299 1ZY4 15964839 Crystal Structure of eIF2alpha Protein Kinase GCN2: R794G Hyperactivating Mutant in Apo Form. 2005-06-09 2005-06-21 Padyana, A.K.,Qiu, H.,Roll-Mecak, A.,Hinnebusch, A.G.,Burley, S.K. Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2 J.Biol.Chem. 2005 280 29289 29299 1ZY5 15964839 Crystal Structure of eIF2alpha Protein Kinase GCN2: R794G Hyperactivating Mutant Complexed with AMPPNP. 2005-06-09 2005-06-21 Padyana, A.K.,Qiu, H.,Roll-Mecak, A.,Hinnebusch, A.G.,Burley, S.K. Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2 J.Biol.Chem. 2005 280 29289 29299 1ZYC 15964839 Crystal Structure of eIF2alpha Protein Kinase GCN2: Wild-Type in Apo Form. 2005-06-09 2005-06-21 Padyana, A.K.,Qiu, H.,Roll-Mecak, A.,Hinnebusch, A.G.,Burley, S.K. Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2 J.Biol.Chem. 2005 280 29289 29299 1ZYD 15964839 Crystal Structure of eIF2alpha Protein Kinase GCN2: Wild-Type Complexed with ATP. 2005-06-09 2005-06-21 Padyana, A.K.,Qiu, H.,Roll-Mecak, A.,Hinnebusch, A.G.,Burley, S.K. Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2 J.Biol.Chem. 2005 280 29289 29299 2A1F Crystal Structure of Uridylate kinase 2005-06-20 2005-06-28 Gorman, J.,Shapiro, L. Crystal Structure of Uridylate kinase To be Published 0 0 0 0 2AR0 Crystal structure of Type I restriction enzyme EcoKI M protein (EC 2.1.1.72) (M.EcoKI) 2005-08-18 2005-08-30 Rajashankar, K.R.,Kniewel, R.,Lima, C.D. Crystal structure of Type I restriction enzyme EcoKI M protein (EC 2.1.1.72) (M.EcoKI). To be Published 0 0 0 0 2A97 16128577 Crystal structure of catalytic domain of Clostridium botulinum neurotoxin serotype F 2005-07-11 2005-09-20 Agarwal, R.,Binz, T.,Swaminathan, S. Structural analysis of botulinum neurotoxin serotype f light chain: implications on substrate binding and inhibitor design Biochemistry 2005 44 11758 11765 2BBO 19944699 Human NBD1 with Phe508 2005-10-17 2005-11-01 Lewis, H.A.,Wang, C.,Zhao, X.,Hamuro, Y.,Conners, K.,Kearins, M.C.,Lu, F.,Sauder, J.M.,Molnar, K.S.,Coales, S.J.,Maloney, P.C.,Guggino, W.B.,Wetmore, D.R.,Weber, P.C.,Hunt, J.F. Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry. J.Mol.Biol. 2010 396 406 430 2BBS 19944699 Human deltaF508 NBD1 with three solubilizing mutations 2005-10-17 2005-11-01 Lewis, H.A.,Wang, C.,Zhao, X.,Hamuro, Y.,Conners, K.,Kearins, M.C.,Lu, F.,Sauder, J.M.,Molnar, K.S.,Coales, S.J.,Maloney, P.C.,Guggino, W.B.,Wetmore, D.R.,Weber, P.C.,Hunt, J.F. Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry. J.Mol.Biol. 2010 396 406 430 2BBT 19944699 Human deltaF508 NBD1 with two solublizing mutations. 2005-10-17 2005-11-01 Lewis, H.A.,Wang, C.,Zhao, X.,Hamuro, Y.,Conners, K.,Kearins, M.C.,Lu, F.,Sauder, J.M.,Molnar, K.S.,Coales, S.J.,Maloney, P.C.,Guggino, W.B.,Wetmore, D.R.,Weber, P.C.,Hunt, J.F. Structure and dynamics of NBD1 from CFTR characterized using crystallography and hydrogen/deuterium exchange mass spectrometry. J.Mol.Biol. 2010 396 406 430 2FH7 18058037 Crystal structure of the phosphatase domains of human PTP SIGMA 2005-12-23 2006-01-10 Almo, S.C.,Bonanno, J.B.,Sauder, J.M.,Emtage, S.,Dilorenzo, T.P.,Malashkevich, V.,Wasserman, S.R.,Swaminathan, S.,Eswaramoorthy, S.,Agarwal, R.,Kumaran, D.,Madegowda, M.,Ragumani, S.,Patskovsky, Y.,Alvarado, J.,Ramagopal, U.A.,Faber-Barata, J.,Chance, M.R.,Sali, A.,Fiser, A.,Zhang, Z.Y.,Lawrence, D.S.,Burley, S.K. Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM. 2007 8 121 140 2FS2 16464851 Structure of the E. coli PaaI protein from the phyenylacetic acid degradation operon 2006-01-20 2006-02-07 Song, F.,Zhuang, Z.,Finci, L.,Dunaway-Mariano, D.,Kniewel, R.,Buglino, J.A.,Solorzano, V.,Wu, J.,Lima, C.D. Structure, Function, and Mechanism of the Phenylacetate Pathway Hot Dog-fold Thioesterase PaaI J.Biol.Chem. 2006 281 11028 11038 2BBZ 16364918 Crystal Structure of MC159 Reveals Molecular Mechanism of DISC Assembly and vFLIP Inhibition 2005-10-18 2006-02-14 Yang, J.K.,Wang, L.,Zheng, L.,Wan, F.,Ahmed, M.,Lenardo, M.J.,Wu, H. Crystal structure of MC159 reveals molecular mechanism of DISC assembly and FLIP inhibition. Mol.Cell 2005 20 939 949 2GDQ Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution 2006-03-16 2006-04-04 Malashkevich, V.N.,Toro, R.,Sauder, J.M.,Schwinn, K.D.,Emtage, S.,Thompson, D.A.,Rutter, M.E.,Dickey, M.,Groshong, C.,Bain, K.T.,Adams, J.M.,Reyes, C.,Rooney, I.,Powell, A.,Boice, A.,Gheyi, T.,Ozyurt, S.,Atwell, S.,Wasserman, S.R.,Burley, S.K.,Sali, A.,Babbitt, P.,Pieper, U.,Gerlt, J.A.,Almo, S.C. Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution To be Published 0 0 0 0 2GGE Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme from Bacillus Subtilis complexed with MG++ at 1.8 A 2006-03-23 2006-04-18 Malashkevich, V.N.,Sauder, J.M.,Schwinn, K.D.,Emtage, S.,Thompson, D.A.,Rutter, M.E.,Dickey, M.,Groshong, C.,Bain, K.T.,Adams, J.M.,Reyes, C.,Rooney, I.,Powell, A.,Boice, A.,Gheyi, T.,Ozyurt, S.,Atwell, S.,Wasserman, S.R.,Burley, S.K.,Sali, A.,Babbitt, P.,Pieper, U.,Gerlt, J.A.,Almo, S.C. Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme from Bacillus Subtilis complexed with MG++ at 1.8 A To be Published 0 0 0 0 2GL5 Crystal Structure of Putative Dehydratase from Salmonella Thyphimurium 2006-04-04 2006-04-18 Patskovsky, Y.,Sauder, J.M.,Dickey, M.,Adams, J.M.,Ozyurt, S.,Wasserman, S.R.,Gerlt, J.,Almo, S.C. Crystal Structure of Putative Dehydratase from Salmonella Thyphimurium Lt2 To be Published 0 0 0 0 1ZXK 16564015 Crystal Structure of Cadherin8 EC1 domain 2005-06-08 2006-04-25 Patel, S.D.,Ciatto, C.,Chen, C.P.,Bahna, F.,Rajebhosale, M.,Arkus, N.,Schieren, I.,Jessell, T.M.,Honig, B.,Price, S.R.,Shapiro, L. Type II cadherin ectodomain structures: implications for classical cadherin specificity. Cell(Cambridge,Mass.) 2006 124 1255 1268 2A62 16564015 Crystal structure of mouse cadherin-8 EC1-3 2005-07-01 2006-04-25 Patel, S.D.,Ciatto, C.,Chen, C.P.,Bahna, F.,Rajebhosale, M.,Arkus, N.,Schieren, I.,Jessell, T.M.,Honig, B.,Price, S.R.,Shapiro, L. Type II cadherin ectodomain structures: implications for classical cadherin specificity. Cell(Cambridge,Mass.) 2006 124 1255 1268 2GOK 17640072 Crystal structure of the imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A resolution 2006-04-13 2006-04-25 Tyagi, R.,Kumaran, D.,Burley, S.K.,Swaminathan, S. X-ray structure of imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A resolution. Proteins 2007 69 652 658 2GSH Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium 2006-04-26 2006-05-09 Patskovsky, Y.,Malashkevich, V.N.,Sauder, J.M.,Dickey, M.,Ozyurt, S.,Wasserman, S.R.,Gerlt, J.,Almo, S.C. Crystal Structure of L-rhamnonate dehydratase from Salmonella Typhimurium Lt2 To be Published 0 0 0 0 2GRN 16732283 Crystal Structure of human RanGAP1-Ubc9 2006-04-24 2006-05-30 Yunus, A.A.,Lima, C.D. Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway. Nat.Struct.Mol.Biol. 2006 13 491 499 2GRO 16732283 Crystal Structure of human RanGAP1-Ubc9-N85Q 2006-04-24 2006-05-30 Yunus, A.A.,Lima, C.D. Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway. Nat.Struct.Mol.Biol. 2006 13 491 499 2GRQ 16732283 Crystal Structure of human RanGAP1-Ubc9-D127A 2006-04-24 2006-05-30 Yunus, A.A.,Lima, C.D. Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway. Nat.Struct.Mol.Biol. 2006 13 491 499 2I1Y 18058037 Crystal structure of the phosphatase domain of human PTP IA-2 2006-08-15 2006-08-29 Almo, S.C.,Bonanno, J.B.,Sauder, J.M.,Emtage, S.,Dilorenzo, T.P.,Malashkevich, V.,Wasserman, S.R.,Swaminathan, S.,Eswaramoorthy, S.,Agarwal, R.,Kumaran, D.,Madegowda, M.,Ragumani, S.,Patskovsky, Y.,Alvarado, J.,Ramagopal, U.A.,Faber-Barata, J.,Chance, M.R.,Sali, A.,Fiser, A.,Zhang, Z.Y.,Lawrence, D.S.,Burley, S.K. Structural genomics of protein phosphatases J.STRUCT.FUNCT.GENOM. 2007 8 121 140 2I5G Crystal strcuture of amidohydrolase from Pseudomonas aeruginosa 2006-08-24 2006-09-05 Min, T.,Sauder, J.M.,Wasserman, S.R.,Smith, D.,Burley, S.K.,Shapiro, L. Crystal structure of amidohydrolase from Pseudomonas aeruginosa To be Published 0 0 0 0 2I9I Crystal Structure of Helicobacter pylori protein HP0492 2006-09-05 2006-09-26 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Mckenzie, C.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Helicobacter pylori hypothetical protein O25234 TO BE PUBLISHED 0 0 0 0 2IEC Crystal Structure of uncharacterized conserved archael protein from Methanopyrus kandleri 2006-09-18 2006-10-03 Bonanno, J.B.,Ramagopal, U.A.,Dickey, M.,Bain, K.T.,Powell, A.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of uncharacterized conserved archael protein from Methanopyrus kandleri TO BE PUBLISHED 0 0 0 0 2IF6 Crystal structure of metalloprotein yiiX from Escherichia coli O157:H7, DUF1105 2006-09-20 2006-10-03 Bonanno, J.B.,Gilmore, J.,Bain, K.T.,Powell, A.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of hypothetical metalloprotein yiiX from Escherichia coli O157:H7 To be Published 0 0 0 0 2IJ9 Crystal Structure of Uridylate Kinase from Archaeoglobus Fulgidus 2006-09-29 2006-10-17 Patskovsky, Y.,Chen, R.,Keefe, L.J.,Sauder, J.M.,Dickey, M.,Adams, J.M.,Ozyurt, S.,Wasserman, S.R.,Burley, S.K.,Almo, S.C. Crystal Structure of Uridylate Kinase from Archaeoglobus Fulgidus To be Published 0 0 0 0 2IQ1 18058037 Crystal structure of human PPM1K 2006-10-12 2006-11-07 Almo, S.C.,Bonanno, J.B.,Sauder, J.M.,Emtage, S.,Dilorenzo, T.P.,Malashkevich, V.,Wasserman, S.R.,Swaminathan, S.,Eswaramoorthy, S.,Agarwal, R.,Kumaran, D.,Madegowda, M.,Ragumani, S.,Patskovsky, Y.,Alvarado, J.,Ramagopal, U.A.,Faber-Barata, J.,Chance, M.R.,Sali, A.,Fiser, A.,Zhang, Z.Y.,Lawrence, D.S.,Burley, S.K. Structural genomics of protein phosphatases J.STRUCT.FUNCT.GENOM. 2007 8 121 140 2IQI Crystal structure of protein XCC0632 from Xanthomonas campestris, Pfam DUF330 2006-10-13 2006-11-07 Bonanno, J.B.,Gilmore, J.,Bain, K.T.,Mckenzie, C.,Pelletier, L.,Wasserman, S.,Burley, S.K.,Almo, S.C. Crystal structure of hypothetical protein XCC0632 from Xanthomonas campestris pv. campestris To be Published 0 0 0 0 2NPO Crystal structure of putative transferase from Campylobacter jejuni subsp. jejuni NCTC 11168 2006-10-27 2006-11-07 Jin, X.,Bera, A.,Wasserman, S.,Smith, D.,Sauder, J.M.,Burley, S.K.,Shapiro, L. Crystal structure of putative transferase from Campylobacter jejuni subsp. jejuni NCTC 11168 To be Published 0 0 0 0 2NR4 Crystal structure of FMN-bound protein MM1853 from Methanosarcina mazei, Pfam DUF447 2006-11-01 2006-11-07 Bonanno, J.B.,Gilmore, J.,Bain, K.T.,Lau, C.,Wasserman, S.,Smith, D.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of conserved FMN bound hypothetical protein from Methanosarcina mazei To be Published 0 0 0 0 2NRH Crystal structure of conserved putative Baf family transcriptional activator from Campylobacter jejuni 2006-11-02 2006-11-14 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Lau, C.,Wasserman, S.,Smith, D.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of conserved putative Baf family transcriptional activator from Campylobacter jejuni To be Published 0 0 0 0 2NS9 Crystal structure of protein APE2225 from Aeropyrum pernix K1, Pfam COXG 2006-11-03 2006-11-14 Jin, X.,Bera, A.,Wasserman, S.,Smith, D.,Sauder, J.M.,Burley, S.K.,Shapiro, L. Crystal structure of hypothetical protein APE2225 from Aeropyrum pernix K1 To be Published 0 0 0 0 2IO2 17099700 Crystal structure of human Senp2 in complex with RanGAP1-SUMO-1 2006-10-09 2006-11-21 Reverter, D.,Lima, C.D. Structural basis for SENP2 protease interactions with SUMO precursors and conjugated substrates. Nat.Struct.Mol.Biol. 2006 13 1060 1068 2NV5 18058037 Crystal structure of a C-terminal phosphatase domain of Rattus norvegicus ortholog of human protein tyrosine phosphatase, receptor type, D (PTPRD) 2006-11-10 2006-11-21 Almo, S.C.,Bonanno, J.B.,Sauder, J.M.,Emtage, S.,Dilorenzo, T.P.,Malashkevich, V.,Wasserman, S.R.,Swaminathan, S.,Eswaramoorthy, S.,Agarwal, R.,Kumaran, D.,Madegowda, M.,Ragumani, S.,Patskovsky, Y.,Alvarado, J.,Ramagopal, U.A.,Faber-Barata, J.,Chance, M.R.,Sali, A.,Fiser, A.,Zhang, Z.Y.,Lawrence, D.S.,Burley, S.K. Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM. 2007 8 121 140 2NWI Crystal structure of protein AF1396 from Archaeoglobus fulgidus, Pfam DUF98 2006-11-14 2006-11-21 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Adams, J.,Sridhar, V.,Wasserman, S.,Smith, D.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of hypothetical protein O28875 from Archaeoglobus fulgidus To be Published 0 0 0 0 2O34 Crystal structure of protein DVU1097 from Desulfovibrio vulgaris Hildenborough, Pfam DUF375 2006-11-30 2006-12-12 Malashkevich, V.N.,Toro, R.,Sauder, J.M.,Thompson, D.A.,Rutter, M.E.,Dickey, M.,Groshong, C.,Bain, K.T.,Adams, J.M.,Reyes, C.,Rooney, I.,Powell, A.,Boice, A.,Gheyi, T.,Ozyurt, S.,Atwell, S.,Wasserman, S.R.,Schwinn, K.D.,Emtage, S.,Burley, S.K.,Almo, S.C. Crystal Structure of the Hypothetical Protein from Desulfovibrio vulgaris Hildenborough To be Published 0 0 0 0 2O56 Crystal Structure of a Member of the Enolase Superfamily from Salmonella Typhimurium 2006-12-05 2006-12-12 Patskovsky, Y.,Sauder, J.M.,Dickey, M.,Adams, J.M.,Ozyurt, S.,Wasserman, S.R.,Gerlt, J.,Burley, S.K.,Almo, S.C. Crystal Structure of Putative Enolase from Salmonella Typhimurium Lt2 To be Published 0 0 0 0 2NX2 Crystal structure of protein ypsA from Bacillus subtilis, Pfam DUF1273 2006-11-16 2006-12-19 Ramagopal, U.A.,Alvarado, J.,Dickey, M.,Reyes, C.,Toro, R.,Bain, K.,Gheyi, T.,Sauder, J.M.,Burley, S.K.,Almo, S.C.,New York SGX Research Center for Structural Genomics Crystal structure of hypothetical protein ypsA from Bacillus subtilis. To be Published 0 0 0 0 2O8R Crystal Structure of Polyphosphate Kinase from Porphyromonas Gingivalis 2006-12-12 2006-12-19 Patskovsky, Y.,Toro, R.,Sauder, J.M.,Dickey, M.,Adams, J.M.,Ozyurt, S.,Wasserman, S.R.,Burley, S.K.,Almo, S.C. Crystal Structure of Polyphosphate Kinase from Porphyromonas Gingivalis To be Published 0 0 0 0 2O3A Crystal structure of a protein AF_0751 from Archaeoglobus fulgidus 2006-12-01 2006-12-26 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Wu, B.,Slocombe, A.,Sridhar, V.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a protein AF_0751 from Archaeoglobus fulgidus To be Published 0 0 0 0 2OCE Crystal structure of Tex family protein PA5201 from Pseudomonas aeruginosa 2006-12-20 2007-01-02 Jin, X.,Min, T.,Burley, S.K.,Shapiro, L. Crystal structure of hypothetical protein PA5201 from Pseudomonas aeruginosa To be Published 0 0 0 0 2OHW Crystal structure of the YueI protein from Bacillus subtilis 2007-01-10 2007-01-23 Bonanno, J.B.,Jin, X.,Mu, H.,Dickey, M.,Bain, K.T.,Wu, B.,Chen, T.,Reyes, C.,Wasserman, S.,Smith, D.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the YueI protein from Bacillus subtilis To be Published 0 0 0 0 2OKT 24872444 Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, ligand-free form 2007-01-17 2007-01-30 Odokonyero, D.,Sakai, A.,Patskovsky, Y.,Malashkevich, V.N.,Fedorov, A.A.,Bonanno, J.B.,Fedorov, E.V.,Toro, R.,Agarwal, R.,Wang, C.,Ozerova, N.D.,Yew, W.S.,Sauder, J.M.,Swaminathan, S.,Burley, S.K.,Almo, S.C.,Glasner, M.E. Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA 2014 111 8535 8540 2OLA 24872444 Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, cubic crystal form 2007-01-18 2007-02-06 Odokonyero, D.,Sakai, A.,Patskovsky, Y.,Malashkevich, V.N.,Fedorov, A.A.,Bonanno, J.B.,Fedorov, E.V.,Toro, R.,Agarwal, R.,Wang, C.,Ozerova, N.D.,Yew, W.S.,Sauder, J.M.,Swaminathan, S.,Burley, S.K.,Almo, S.C.,Glasner, M.E. Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA 2014 111 8535 8540 2OOG Crystal structure of glycerophosphoryl diester phosphodiesterase from Staphylococcus aureus 2007-01-25 2007-02-06 Patskovsky, Y.,Sauder, J.M.,Smith, D.,Freeman, J.,Maletic, M.,Powell, A.,Gheyi, T.,Wasserman, S.R.,Burley, S.K.,Almo, S.C. Crystal Structure of Glycerophosphoryl Diester Phosphodiesterase from Staphylococcus Aureus To be Published 0 0 0 0 2OGJ Crystal structure of a dihydroorotase 2007-01-05 2007-02-20 Sugadev, R.,Kumaran, D.,Burley, S.K.,Swaminathan, S. Crystal structure of a dihydroorotase To be Published 0 0 0 0 2OG9 Crystal Structure of mandelate racemase/muconate lactonizing enzyme from Polaromonas sp. JS666 2007-01-05 2007-02-27 Kumaran, D.,Sridhar, V.,Burley, S.K.,Swaminathan, S. Crystal Structure of mandelate racemase/muconate lactonizing enzyme from Polaromonas sp. JS666 To be Published 0 0 0 0 2OX4 Crystal structure of putative dehydratase from Zymomonas mobilis ZM4 2007-02-19 2007-03-06 Patskovsky, Y.,Toro, R.,Sauder, J.M.,Freeman, J.C.,Bain, K.,Gheyi, T.,Wasserman, S.R.,Smith, D.,Gerlt, J.,Burley, S.K.,Almo, S.C. Crystal Structure of Putative Dehydratase from Zymomonas Mobilis Zm4 To be Published 0 0 0 0 2OX7 Crystal structure of protein EF1440 from Enterococcus faecalis 2007-02-19 2007-03-06 Malashkevich, V.N.,Toro, R.,Sauder, J.M.,Thompson, D.A.,Bain, K.T.,Adams, J.M.,Gheyi, T.,Lau, C.,Gilmore, J.,Wasserman, S.R.,Schwinn, K.D.,Emtage, S.,Burley, S.K.,Almo, S.C. Crystal structure of the hypothetical protein from Enterococcus faecalis To be Published 0 0 0 0 2OYN Crystal structure of CDP-bound protein MJ0056 from Methanococcus jannaschii, Pfam DUF120 2007-02-22 2007-03-06 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Lau, C.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of hypothetical protein from Methanococcus jannaschii bound to CDP TO BE PUBLISHED 0 0 0 0 2OZ3 Crystal structure of L-Rhamnonate dehydratase from Azotobacter vinelandii 2007-02-23 2007-03-06 Patskovsky, Y.,Toro, R.,Sauder, J.M.,Freeman, J.C.,Bain, K.,Wu, B.,Gheyi, T.,Wasserman, S.R.,Smith, D.,Gerlt, J.,Burley, S.K.,Almo, S.C. Crystal structure of L-Rhamnonate dehydratase from azotobacter vinelandii To be Published 0 0 0 0 2OYC 18058037 Crystal structure of human pyridoxal phosphate phosphatase 2007-02-21 2007-03-13 Almo, S.C.,Bonanno, J.B.,Sauder, J.M.,Emtage, S.,Dilorenzo, T.P.,Malashkevich, V.,Wasserman, S.R.,Swaminathan, S.,Eswaramoorthy, S.,Agarwal, R.,Kumaran, D.,Madegowda, M.,Ragumani, S.,Patskovsky, Y.,Alvarado, J.,Ramagopal, U.A.,Faber-Barata, J.,Chance, M.R.,Sali, A.,Fiser, A.,Zhang, Z.Y.,Lawrence, D.S.,Burley, S.K. Structural genomics of protein phosphatases. J.Struct.Funct.Genom. 2007 8 121 140 2OZ8 Crystal structure of putative mandelate racemase from Mesorhizobium loti 2007-02-25 2007-03-13 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Wu, B.,Sridhar, V.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative mandelate racemase from Mesorhizobium loti To be Published 0 0 0 0 2OZT 24872444 Crystal structure of O-succinylbenzoate synthase from Thermosynechococcus elongatus BP-1 2007-02-27 2007-03-13 Odokonyero, D.,Sakai, A.,Patskovsky, Y.,Malashkevich, V.N.,Fedorov, A.A.,Bonanno, J.B.,Fedorov, E.V.,Toro, R.,Agarwal, R.,Wang, C.,Ozerova, N.D.,Yew, W.S.,Sauder, J.M.,Swaminathan, S.,Burley, S.K.,Almo, S.C.,Glasner, M.E. Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA 2014 111 8535 8540 2P0I Crystal structure of L-rhamnonate dehydratase from Gibberella zeae 2007-02-28 2007-03-13 Patskovsky, Y.,Toro, R.,Sauder, J.M.,Dickey, M.,Logan, C.,Gheyi, T.,Wasserman, S.R.,Smith, D.,Gerlt, J.,Burley, S.K.,Almo, S.C. Crystal Structure of L-Rhamnonate Dehydratase from Gibberella Zeae To be Published 0 0 0 0 2P1G Crystal structure of a putative xylanase from Bacteroides fragilis 2007-03-05 2007-03-20 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Zhang, F.,Sridhar, V.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative xylanase from Bacteroides fragilis To be Published 0 0 0 0 2P1J Crystal structure of a polC-type DNA polymerase III exonuclease domain from Thermotoga maritima 2007-03-05 2007-03-20 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Izuka, M.,Sridhar, V.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a polC-type DNA polymerase III exonuclease domain from Thermotoga maritima To be Published 0 0 0 0 2P3Z Crystal structure of L-Rhamnonate dehydratase from Salmonella typhimurium 2007-03-10 2007-03-20 Malashkevich, V.N.,Sauder, J.M.,Dickey, M.,Ozyurt, S.,Wasserman, S.R.,Gerlt, J.,Burley, S.K.,Almo, S.C. Crystal Structure of L-Rhamnonate Dehydratase from Salmonella Typhimurium Lt2 To be Published 0 0 0 0 2P4U 18058037 Crystal structure of acid phosphatase 1 (Acp1) from Mus musculus 2007-03-13 2007-03-20 Almo, S.C.,Bonanno, J.B.,Sauder, J.M.,Emtage, S.,Dilorenzo, T.P.,Malashkevich, V.,Wasserman, S.R.,Swaminathan, S.,Eswaramoorthy, S.,Agarwal, R.,Kumaran, D.,Madegowda, M.,Ragumani, S.,Patskovsky, Y.,Alvarado, J.,Ramagopal, U.A.,Faber-Barata, J.,Chance, M.R.,Sali, A.,Fiser, A.,Zhang, Z.Y.,Lawrence, D.S.,Burley, S.K. Structural genomics of protein phosphatases. J.Struct.Funct.Genom. 2007 8 121 140 2P2U Crystal structure of putative host-nuclease inhibitor protein Gam from Desulfovibrio vulgaris 2007-03-07 2007-03-27 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Zhang, F.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative host-nuclease inhibitor protein Gam from Desulfovibrio vulgaris To be Published 0 0 0 0 2P61 Crystal structure of protein TM1646 from Thermotoga maritima, Pfam DUF327 2007-03-16 2007-03-27 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Wu, B.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of hypothetical protein TM_1646 from Thermotoga maritima To be Published 0 0 0 0 2OZA 17395714 Structure of p38alpha complex 2007-02-25 2007-04-03 White, A.,Pargellis, C.A.,Studts, J.M.,Werneburg, B.G.,Farmer II, B.T. Molecular basis of MAPK-activated protein kinase 2:p38 assembly Proc.Natl.Acad.Sci.Usa 2007 104 6353 6358 2P5Z 19251641 The E. coli c3393 protein is a component of the type VI secretion system and exhibits structural similarity to T4 bacteriophage tail proteins gp27 and gp5 2007-03-16 2007-04-03 Leiman, P.G.,Basler, M.,Ramagopal, U.A.,Bonanno, J.B.,Sauder, J.M.,Pukatzki, S.,Burley, S.K.,Almo, S.C.,Mekalanos, J.J. Type VI secretion apparatus and phage tail-associated protein complexes share a common evolutionary origin. Proc.Natl.Acad.Sci.Usa 2009 106 4154 4159 2P84 Crystal structure of ORF041 from Bacteriophage 37 2007-03-21 2007-04-03 Malashkevich, V.N.,Toro, R.,Sauder, J.M.,Thompson, D.A.,Bain, K.T.,Adams, J.M.,Gheyi, T.,Lau, C.,Gilmore, J.,Wasserman, S.R.,Schwinn, K.D.,Emtage, S.,Burley, S.K.,Almo, S.C. Crystal structure of the hypothetical protein from Staphylococcus phage 37 To be Published 0 0 0 0 2P8E 18058037 Crystal structure of the serine/threonine phosphatase domain of human PPM1B 2007-03-22 2007-04-03 Almo, S.C.,Bonanno, J.B.,Sauder, J.M.,Emtage, S.,Dilorenzo, T.P.,Malashkevich, V.,Wasserman, S.R.,Swaminathan, S.,Eswaramoorthy, S.,Agarwal, R.,Kumaran, D.,Madegowda, M.,Ragumani, S.,Patskovsky, Y.,Alvarado, J.,Ramagopal, U.A.,Faber-Barata, J.,Chance, M.R.,Sali, A.,Fiser, A.,Zhang, Z.Y.,Lawrence, D.S.,Burley, S.K. Structural genomics of protein phosphatases. J.Struct.Funct.Genom. 2007 8 121 140 2PCE Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM 2007-03-29 2007-04-10 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Lau, C.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM To be Published 0 0 0 0 2PCS Crystal structure of conserved protein from Geobacillus kaustophilus 2007-03-30 2007-04-10 Bonanno, J.B.,Gilmore, J.,Bain, K.T.,Wu, B.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of conserved protein from Geobacillus kaustophilus To be Published 0 0 0 0 2DPR 17243678 The crystal structures of the calcium-bound con-G and con-T(K7Glu) dimeric peptides demonstrate a novel metal-dependent helix-forming motif 2006-05-13 2007-04-24 Cnudde, S.E.,Prorok, M.,Dai, Q.,Castellino, F.J.,Geiger, J.H. The crystal structures of the calcium-bound con-G and con-T[K7gamma] dimeric peptides demonstrate a metal-dependent helix-forming motif J.Am.Chem.Soc. 2007 129 1586 1593 2NRL 17488722 Blackfin tuna myoglobin 2006-11-02 2007-05-08 Schreiter, E.R.,Rodriguez, M.M.,Weichsel, A.,Montfort, W.R.,Bonaventura, J. S-nitrosylation-induced conformational change in blackfin tuna myoglobin. J.Biol.Chem. 2007 282 19773 19780 2PMB Crystal structure of predicted nucleotide-binding protein from Vibrio cholerae 2007-04-20 2007-05-08 Patskovsky, Y.,Zhan, C.,Shi, W.,Sauder, J.M.,Gilmore, J.,Iizuka, M.,Maletic, M.,Gheyi, T.,Wasserman, S.R.,Smith, D.,Burley, S.K.,Almo, S.C. Crystal Structure of Predicted Nucleotide-Binding Protein from Vibrio Cholerae. To be Published 0 0 0 0 2PMQ 24056934 Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601 2007-04-23 2007-05-08 Zhao, S.,Kumar, R.,Sakai, A.,Vetting, M.W.,Wood, B.M.,Brown, S.,Bonanno, J.B.,Hillerich, B.S.,Seidel, R.D.,Babbitt, P.C.,Almo, S.C.,Sweedler, J.V.,Gerlt, J.A.,Cronan, J.E.,Jacobson, M.P. Discovery of new enzymes and metabolic pathways by using structure and genome context. Nature 2013 502 698 702 2PMR Crystal structure of a protein of unknown function from Methanobacterium thermoautotrophicum 2007-04-23 2007-05-08 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Wu, B.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a protein of unknown function from Methanobacterium thermoautotrophicum. To be Published 0 0 0 0 2PNW Crystal structure of membrane-bound lytic murein transglycosylase from Agrobacterium tumefaciens 2007-04-25 2007-05-08 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Iizuka, M.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of membrane-bound lytic murein transglycosylase from Agrobacterium tumefaciens. To be Published 0 0 0 0 2PJU Crystal structure of propionate catabolism operon regulatory protein prpR 2007-04-16 2007-05-22 Ramagopal, U.A.,Toro, R.,Gilmore, M.,Wu, B.,Koss, J.,Groshong, C.,Gheyi, T.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of propionate catabolism operon regulatory protein prpR To be Published 0 0 0 0 2PW9 Crystal structure of a putative formate dehydrogenase accessory protein from Desulfotalea psychrophila 2007-05-10 2007-05-22 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Logan, C.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative formate dehydrogenase accessory protein from Desulfotalea psychrophila. To be Published 0 0 0 0 2Q01 Crystal structure of glucuronate isomerase from Caulobacter crescentus 2007-05-18 2007-05-29 Patskovsky, Y.,Bonanno, J.,Sridhar, V.,Sauder, J.M.,Freeman, J.,Powell, A.,Koss, J.,Groshong, C.,Gheyi, T.,Wasserman, S.R.,Raushel, F.,Burley, S.K.,Almo, S.C. Crystal Structure of Glucuronate Isomerase from Caulobacter crescentus. To be Published 0 0 0 0 2POD Crystal structure of a member of enolase superfamily from Burkholderia pseudomallei K96243 2007-04-26 2007-06-05 Patskovsky, Y.,Bonanno, J.,Sauder, J.M.,Gilmore, J.M.,Iizuka, M.,Gheyi, M.,Ozyurt, S.,Wasserman, S.R.,Smith, D.,Gerlt, J.,Burley, S.K.,Almo, S.C. Crystal Structure of a Member of Enolase Superfamily from Burkholderia Pseudomallei. To be Published 0 0 0 0 2Q5E 18058037 Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2 2007-05-31 2007-06-19 Almo, S.C.,Bonanno, J.B.,Sauder, J.M.,Emtage, S.,Dilorenzo, T.P.,Malashkevich, V.,Wasserman, S.R.,Swaminathan, S.,Eswaramoorthy, S.,Agarwal, R.,Kumaran, D.,Madegowda, M.,Ragumani, S.,Patskovsky, Y.,Alvarado, J.,Ramagopal, U.A.,Faber-Barata, J.,Chance, M.R.,Sali, A.,Fiser, A.,Zhang, Z.Y.,Lawrence, D.S.,Burley, S.K. Structural genomics of protein phosphatases. J.Struct.Funct.Genom. 2007 8 121 140 2QDD Crystal structure of a member of enolase superfamily from Roseovarius nubinhibens ISM 2007-06-20 2007-06-26 Patskovsky, Y.,Bonanno, J.,Sauder, J.M.,Gilmore, J.M.,Iizuka, M.,Groshong, C.,Gheyi, T.,Sojitra, S.,Wasserman, S.R.,Koss, J.,Gerlt, J.,Burley, S.K.,Almo, S.C. Crystal structure of a member of enolase superfamily from Roseovarius nubinhibens ISM. To be Published 0 0 0 0 2QH5 Crystal structure of mannose-6-phosphate isomerase from Helicobacter pylori 2007-06-29 2007-07-17 Patskovsky, Y.,Ramagopal, U.,Toro, R.,Sauder, J.M.,Iizuka, M.,Dickey, M.,Maletic, M.,Wasserman, S.R.,Koss, J.,Burley, S.K.,Almo, S.C. Crystal structure of Mannose-6-phosphate isomerase from Helicobacter pylori. To be Published 0 0 0 0 2QEE Crystal structure of putative amidohydrolase BH0493 from Bacillus halodurans C-125 2007-06-25 2007-07-24 Malashkevich, V.N.,Toro, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative amidohydrolase BH0493 from Bacillus halodurans C-125. To be Published 0 0 0 0 2QGY Crystal structure of an enolase from the environmental genome shotgun sequencing of the Sargasso Sea 2007-06-29 2007-07-24 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Lau, C.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an enolase from the environmental genome shotgun sequencing of the Sargasso Sea. To be Published 0 0 0 0 2JJ3 17662603 Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist 2007-07-03 2007-08-07 Norman, B.H.,Richardson, T.I.,Dodge, J.A.,Pfeifer, L.A.,Durst, G.L.,Wang, Y.,Durbin, J.D.,Krishnan, V.,Dinn, S.R.,Liu, S.,Reilly, J.E.,Ryter, K.T. Benzopyrans as Selective Estrogen Receptor Beta Agonists (Serbas). Part 4: Functionalization of the Benzopyran A-Ring. Bioorg.Med.Chem.Lett. 2007 17 5082 0 2QR3 Crystal structure of the N-terminal signal receiver domain of two-component system response regulator from Bacteroides fragilis 2007-07-27 2007-08-07 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Mendoza, M.,Romero, R.,Fong, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the N-terminal signal receiver domain of two-component system response regulator from Bacteroides fragilis. To be Published 0 0 0 0 2Z4B 17614275 Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand 2007-06-14 2007-08-07 Richardson, T.I.,Dodge, J.A.,Durst, G.L.,Pfeifer, L.A.,Shah, J.,Wang, Y.,Durbin, J.D.,Krishnan, V.,Norman, B.H. Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification. Bioorg.Med.Chem.Lett. 2007 17 4824 4828 2QSD Crystal structure of a protein Il1583 from Idiomarina loihiensis 2007-07-30 2007-08-14 Patskovsky, Y.,Bonanno, J.,Sauder, J.M.,Romero, R.,Rutter, M.,Koss, J.,Mckenzie, C.,Gheyi, T.,Bain, K.,Wasserman, S.R.,Burley, S.K.,Almo, S.C. Crystal Structure of a Protein Il1583 from Idiomarina loihiensis. To be Published 0 0 0 0 2QSJ Crystal structure of a LuxR family DNA-binding response regulator from Silicibacter pomeroyi 2007-07-31 2007-08-14 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Mendoza, M.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a LuxR family DNA-binding response regulator from Silicibacter pomeroyi. To be Published 0 0 0 0 2P7V 17681541 Crystal structure of the Escherichia coli regulator of sigma 70, Rsd, in complex with sigma 70 domain 4 2007-03-20 2007-08-21 Patikoglou, G.A.,Westblade, L.F.,Campbell, E.A.,Lamour, V.,Lane, W.J.,Darst, S.A. Crystal structure of the Escherichia coli regulator of sigma70, Rsd, in complex with sigma70 domain 4. J.Mol.Biol. 2007 372 649 659 2QUP Crystal structure of uncharacterized protein BH1478 from Bacillus halodurans 2007-08-06 2007-08-21 Patskovsky, Y.,Bonanno, J.B.,Rutter, M.,Mckenzie, C.,Ozyurt, S.,Bain, K.T.,Gheyi, T.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Uncharacterized Protein Bh1478 from Bacillus Halodurans. To be Published 0 0 0 0 2QV5 Crystal structure of uncharacterized protein ATU2773 from Agrobacterium tumefaciens C58 2007-08-07 2007-08-21 Patskovsky, Y.,Bonanno, J.B.,Sojitra, S.,Dickey, M.,Smith, D.,Bain, K.T.,Iizuka, M.,Rodgers, L.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Uncharacterized Protein Atu2773 from Agrobacterium Tumefaciens. To be Published 0 0 0 0 2QU7 Crystal structure of a putative transcription regulator from Staphylococcus saprophyticus subsp. saprophyticus 2007-08-03 2007-08-28 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Mendoza, M.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative transcription regulator from Staphylococcus saprophyticus subsp. saprophyticus. To be Published 0 0 0 0 2QV0 Crystal structure of the response regulatory domain of protein mrkE from Klebsiella pneumoniae 2007-08-07 2007-08-28 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Iizuka, I.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the response regulatory domain of protein mrkE from Klebsiella pneumoniae. To be Published 0 0 0 0 2QW6 Crystal structure of the C-terminal domain of an AAA ATPase from Enterococcus faecium DO 2007-08-09 2007-08-28 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the C-terminal domain of an AAA ATPase from Enterococcus faecium DO. To be Published 0 0 0 0 2QWT Crystal structure of the TetR transcription regulatory protein from Mycobacterium vanbaalenii 2007-08-10 2007-08-28 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Adams, J.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the TetR transcription regulatory protein from Mycobacterium vanbaalenii. To be Published 0 0 0 0 2QY6 Crystal structure of the N-terminal domain of UPF0209 protein yfcK from Escherichia coli O157:H7 2007-08-13 2007-08-28 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Eberle, M.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the N-terminal domain of UPF0209 protein yfcK from Escherichia coli O157:H7. To be Published 0 0 0 0 2QYA Crystal structure of an uncharacterized conserved protein from Methanopyrus kandleri 2007-08-14 2007-08-28 Bonanno, J.B.,Zhang, A.,Bain, K.T.,Adams, J.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized conserved protein from Methanopyrus kandleri. To be Published 0 0 0 0 2R0B 18058037 Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein 2007-08-18 2007-08-28 Almo, S.C.,Bonanno, J.B.,Sauder, J.M.,Emtage, S.,Dilorenzo, T.P.,Malashkevich, V.,Wasserman, S.R.,Swaminathan, S.,Eswaramoorthy, S.,Agarwal, R.,Kumaran, D.,Madegowda, M.,Ragumani, S.,Patskovsky, Y.,Alvarado, J.,Ramagopal, U.A.,Faber-Barata, J.,Chance, M.R.,Sali, A.,Fiser, A.,Zhang, Z.Y.,Lawrence, D.S.,Burley, S.K. Structural genomics of protein phosphatases. J.Struct.Funct.Genom. 2007 8 121 140 2R1F Crystal structure of predicted aminodeoxychorismate lyase from Escherichia coli 2007-08-22 2007-09-04 Patskovsky, Y.,Ramagopal, U.A.,Toro, R.,Meyer, A.J.,Rutter, M.,Lau, C.,Maletic, M.,Gheyi, T.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Predicted Aminodeoxychorismate Lyase from Escherichia coli. To be Published 0 0 0 0 2POG 17485205 Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold. 2007-04-26 2007-09-11 Richardson, T.I.,Norman, B.H.,Lugar, C.W.,Jones, S.A.,Wang, Y.,Durbin, J.D.,Krishnan, V.,Dodge, J.A. Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold. Bioorg.Med.Chem.Lett. 2007 17 3570 3574 2QSR Crystal structure of C-terminal domain of transcription-repair coupling factor 2007-07-31 2007-09-11 Ramagopal, U.A.,Toro, R.,Gilmore, M.,Bain, K.,Iizuka, M.,Wasserman, S.,Rodgers, L.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Structure of C-terminal domain of transcription-repair coupling factor. To be Published 0 0 0 0 2PZE 20150177 Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer 2007-05-17 2007-10-09 Atwell, S.,Brouillette, C.G.,Conners, K.,Emtage, S.,Gheyi, T.,Guggino, W.B.,Hendle, J.,Hunt, J.F.,Lewis, H.A.,Lu, F.,Protasevich, I.I.,Rodgers, L.A.,Romero, R.,Wasserman, S.R.,Weber, P.C.,Wetmore, D.,Zhang, F.F.,Zhao, X. Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant. Protein Eng.Des.Sel. 2010 23 375 384 2PZF 20150177 Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer with delta F508 2007-05-18 2007-10-09 Atwell, S.,Brouillette, C.G.,Conners, K.,Emtage, S.,Gheyi, T.,Guggino, W.B.,Hendle, J.,Hunt, J.F.,Lewis, H.A.,Lu, F.,Protasevich, I.I.,Rodgers, L.A.,Romero, R.,Wasserman, S.R.,Weber, P.C.,Wetmore, D.,Zhang, F.F.,Zhao, X. Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant. Protein Eng.Des.Sel. 2010 23 375 384 2PZG 20150177 Minimal human CFTR first nucleotide binding domain as a monomer 2007-05-18 2007-10-09 Atwell, S.,Brouillette, C.G.,Conners, K.,Emtage, S.,Gheyi, T.,Guggino, W.B.,Hendle, J.,Hunt, J.F.,Lewis, H.A.,Lu, F.,Protasevich, I.I.,Rodgers, L.A.,Romero, R.,Wasserman, S.R.,Weber, P.C.,Wetmore, D.,Zhang, F.F.,Zhao, X. Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant. Protein Eng.Des.Sel. 2010 23 375 384 2RDX Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM 2007-09-25 2007-10-09 Patskovsky, Y.,Bonanno, J.B.,Sauder, J.M.,Gilmore, M.,Ozyurt, S.,Lau, C.,Maletic, M.,Gheyi, T.,Wasserman, S.R.,Koss, J.,Gerlt, J.A.,Burley, S.K.,Almo, S.C. Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM. To be Published 0 0 0 0 2RB9 18065529 Crystal structure of E.coli HypE 2007-09-18 2007-10-23 Rangarajan, E.S.,Asinas, A.,Proteau, A.,Munger, C.,Baardsnes, J.,Iannuzzi, P.,Matte, A.,Cygler, M. Structure of [NiFe] hydrogenase maturation protein HypE from Escherichia coli and its interaction with HypF. J.Bacteriol. 2008 190 1447 1458 2QTU 17804226 Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand 2007-08-02 2007-10-30 Richardson, T.I.,Dodge, J.A.,Wang, Y.,Durbin, J.D.,Krishnan, V.,Norman, B.H. Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies. Bioorg.Med.Chem.Lett. 2007 17 5563 5566 2RJZ 19857646 Crystal structure of the type 4 fimbrial biogenesis protein PilO from Pseudomonas aeruginosa 2007-10-16 2007-11-06 Sampaleanu, L.M.,Bonanno, J.B.,Ayers, M.,Koo, J.,Tammam, S.,Burley, S.K.,Almo, S.C.,Burrows, L.L.,Howell, P.L. Periplasmic domains of Pseudomonas aeruginosa PilN and PilO form a stable heterodimeric complex. J.Mol.Biol. 2009 394 143 159 3B40 Crystal structure of the probable dipeptidase PvdM from Pseudomonas aeruginosa 2007-10-23 2007-11-06 Bonanno, J.B.,Patskovsky, Y.,Dickey, M.,Bain, K.T.,Mendoza, M.,Fong, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the probable dipeptidase PvdM from Pseudomonas aeruginosa. To be Published 0 0 0 0 3B59 Crystal structure of the Mn(II)-bound glyoxalase from Novosphingobium aromaticivorans 2007-10-25 2007-11-06 Madegowda, M.,Eswaramoorthy, S.,Burley, S.K.,Swaminathan, S. Crystal structure of the Mn(II)-bound glyoxalase from Novosphingobium aromaticivorans. To be Published 0 0 0 0 3B5M Crystal structure of conserved uncharacterized protein from Rhodopirellula baltica 2007-10-26 2007-11-13 Patskovsky, Y.,Bonanno, J.B.,Sridhar, V.,Rutter, M.,Powell, A.,Maletic, M.,Rodgers, R.,Wasserman, S.,Smith, D.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Conserved Uncharacterized Protein from Rhodopirellula baltica. To be Published 0 0 0 0 3BD0 18045866 Crystal structure of Memo, form II 2007-11-13 2007-11-27 Qiu, C.,Lienhard, S.,Hynes, N.E.,Badache, A.,Leahy, D.J. Memo Is Homologous to Nonheme Iron Dioxygenases and Binds an ErbB2-derived Phosphopeptide in Its Vestigial Active Site. J.Biol.Chem. 2008 283 2734 2740 3B9J 18063585 Structure of Xanthine Oxidase with 2-hydroxy-6-methylpurine 2007-11-05 2007-12-04 Pauff, J.M.,Zhang, J.,Bell, C.E.,Hille, R. Substrate orientation in xanthine oxidase: crystal structure of enzyme in reaction with 2-hydroxy-6-methylpurine. J.Biol.Chem. 2008 283 4818 4824 3BGH Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori 2007-11-26 2007-12-11 Bonanno, J.B.,Dickey, J.,Bain, K.T.,McKenzie, C.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative neuraminyllactose-binding hemagglutinin homolog from Helicobacter pylori. To be Published 0 0 0 0 3BH1 Crystal structure of protein DIP2346 from Corynebacterium diphtheriae 2007-11-27 2007-12-11 Patskovsky, Y.,Sridhar, V.,Bonanno, J.B.,Gilmore, M.,Iizuka, M.,Groshong, C.,Gheyi, T.,Wasserman, S.R.,Burley, S.K.,Almo, S.C. Crystal structure of protein DIP2346 from Corynebacterium diphtheriae. To be Published 0 0 0 0 3BHW Crystal structure of an uncharacterized protein from Magnetospirillum magneticum 2007-11-29 2007-12-11 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Lau, C.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized protein from Magnetospirillum magneticum. To be Published 0 0 0 0 3BIL Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum 2007-11-30 2007-12-11 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Mendoza, M.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum. To be Published 0 0 0 0 2QUX 18066080 PP7 coat protein dimer in complex with RNA hairpin 2007-08-06 2007-12-18 Chao, J.A.,Patskovsky, Y.,Almo, S.C.,Singer, R.H. Structural basis for the coevolution of a viral RNA-protein complex. Nat.Struct.Mol.Biol. 2008 15 103 105 3BJS Crystal structure of a member of enolase superfamily from Polaromonas sp. JS666 2007-12-04 2007-12-18 Patskovsky, Y.,Bonanno, J.B.,Ozyurt, S.,Dickey, M.,Sauder, J.M.,Reyes, C.,Groshong, C.,Gheyi, T.,Smith, D.,Wasserman, S.R.,Gerlt, J.,Burley, S.K.,Almo, S.C. Crystal Structure of a Member of Enolase Superfamily from Polaromonas sp. JS666. To be Published 0 0 0 0 3BMA Crystal structure of D-alanyl-lipoteichoic acid synthetase from Streptococcus pneumoniae R6 2007-12-12 2007-12-25 Patskovsky, Y.,Sridhar, V.,Bonanno, J.B.,Smith, D.,Rutter, M.,Iizuka, M.,Koss, J.,Bain, K.,Gheyi, T.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of probable D-Alanyl-Lipoteichoic Acid Synthetase from Streptococcus pneumoniae. To be Published 0 0 0 0 3BGE Crystal structure of the C-terminal fragment of AAA+ATPase from Haemophilus influenzae 2007-11-26 2008-01-01 Ramagopal, U.A.,Patskovsky, Y.,Bonanno, J.B.,Meyer, A.J.,Toro, R.,Freeman, J.,Adams, J.,Koss, J.,Maletic, M.,Gheyi, T.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the C-terminal fragment of AAA+ATPase from Haemophilus influenzae. To be Published 0 0 0 0 3BQ9 Crystal structure of predicted nucleotide-binding protein from Idiomarina baltica OS145 2007-12-19 2008-01-01 Patskovsky, Y.,Toro, R.,Meyer, A.J.,Dickey, M.,Eberle, M.,Koss, J.,Groshong, C.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Predicted Nucleotide-Binding Protein from Idiomarina baltica. To be Published 0 0 0 0 3BPD Crystal structure of an uncharacterized protein (O28723_ARCFU) from Archaeoglobus fulgidus 2007-12-18 2008-01-08 Eswaramoorthy, S.,Burley, S.K.,Sauder, J.M.,Swaminathan, S. Crystal structure of an uncharacterized protein (O28723_ARCFU) from Archaeoglobus fulgidus. To be Published 0 0 0 0 3BQT Crystal structure of a protein of unknown function from Listeria monocytogenes, tetragonal form 2007-12-20 2008-01-08 Madegowda, M.,Sauder, J.M.,Burley, S.K.,Swaminathan, S. Crystal structure of a protein of unknown function from Listeria monocytogenes. To be Published 0 0 0 0 3BQX High resolution crystal structure of a glyoxalase-related enzyme from Fulvimarina pelagi 2007-12-20 2008-01-08 Rao, K.N.,Burley, S.K.,Swaminathan, S. High resolution crystal structure of a glyoxalase-related enzyme from Fulvimarina pelagi. To be Published 0 0 0 0 3BS4 Crystal structure of uncharacterized protein PH0321 from Pyrococcus horikoshii in complex with an unknown peptide 2007-12-21 2008-01-15 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Hu, S.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of uncharacterized protein PH0321 from Pyrococcus horikoshii in complex with an unknown peptide. To be Published 0 0 0 0 3BT5 Crystal structure of DUF305 fragment from Deinococcus radiodurans 2007-12-27 2008-01-15 Ramagopal, U.A.,Patskovsky, Y.,Rutter, M.,Toro, R.,Bain, K.,Meyer, A.J.,Powell, A.,Gheyi, T.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of DUF305 fragment from Deinococcus radiodurans. To be Published 0 0 0 0 3BUT Crystal structure of protein Af_0446 from Archaeoglobus fulgidus 2008-01-03 2008-01-15 Bonanno, J.B.,Patskovsky, Y.,Ozyurt, S.,Ashok, S.,Zhang, F.,Groshong, C.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of protein Af_0446 from Archaeoglobus fulgidus. To be Published 0 0 0 0 3BY5 Crystal structure of cobalamin biosynthesis protein chiG from Agrobacterium tumefaciens str. C58 2008-01-15 2008-01-22 Patskovsky, Y.,Bonanno, J.B.,Sojitra, S.,Rutter, M.,Iizuka, M.,Maletic, M.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of cobalamin biosynthesis protein from Agrobacterium tumefaciens str. C58. To be Published 0 0 0 0 3BRS Crystal structure of sugar transporter from Clostridium phytofermentans 2007-12-21 2008-02-05 Malashkevich, V.N.,Patskovsky, Y.,Toro, R.,Meyers, A.J.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of sugar transporter from Clostridium phytofermentans. To be Published 0 0 0 0 3C19 Crystal structure of protein MK0293 from Methanopyrus kandleri AV19 2008-01-22 2008-02-05 Patskovsky, Y.,Romero, R.,Bonanno, J.B.,Malashkevich, V.,Dickey, M.,Chang, S.,Koss, J.,Bain, K.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of protein MK0293 from Methanopyrus kandleri AV19. To be Published 0 0 0 0 3BVC Crystal structure of uncharacterized protein Ism_01780 from Roseovarius nubinhibens ISM 2008-01-06 2008-02-12 Patskovsky, Y.,Toro, R.,Meyer, A.J.,Rutter, M.,Iizuka, M.,Maletic, M.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized protein Ism_01780 from Roseovarius nubinhibens. To be Published 0 0 0 0 3C4R Crystal structure of an uncharacterized protein encoded by cryptic prophage 2008-01-30 2008-02-19 Sugadev, R.,Burley, S.K.,Swaminathan, S. Crystal structure of an uncharacterized protein encoded by cryptic prophage. To be Published 0 0 0 0 3C6F Crystal structure of protein Bsu07140 from Bacillus subtilis 2008-02-04 2008-02-19 Patskovsky, Y.,Min, T.,Zhang, A.,Adams, J.,Groshong, C.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of protein Bsu07140 from Bacillus subtilis. To be Published 0 0 0 0 3C8C Crystal structure of Mcp_N and cache domains of methyl-accepting chemotaxis protein from Vibrio cholerae 2008-02-11 2008-02-19 Patskovsky, Y.,Ozyurt, S.,Freeman, J.,Hu, S.,Smith, D.,Bain, K.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of Mcp_N and cache N-terminal domains of methyl-accepting chemotaxis protein from Vibrio cholerae. To be Published 0 0 0 0 3C9F Crystal structure of 5'-nucleotidase from Candida albicans SC5314 2008-02-15 2008-02-26 Patskovsky, Y.,Romero, R.,Gilmore, M.,Eberle, M.,Bain, K.,Smith, D.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of 5'-nucleotidase from Candida albicans. To be Published 0 0 0 0 3C8T Crystal structure of fumarate lyase from Mesorhizobium sp. BNC1 2008-02-13 2008-03-11 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Chang, S.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of fumarate lyase from Mesorhizobium sp. BNC1. To be Published 0 0 0 0 3C97 Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae 2008-02-15 2008-03-11 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Chang, S.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the response regulator receiver domain of a signal transduction histidine kinase from Aspergillus oryzae. To be Published 0 0 0 0 3CBW Crystal structure of the YdhT protein from Bacillus subtilis 2008-02-23 2008-03-11 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Iizuka, M.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the YdhT protein from Bacillus subtilis. To be Published 0 0 0 0 3CDX Crystal structure of succinylglutamatedesuccinylase/aspartoacylase from Rhodobacter sphaeroides 2008-02-27 2008-03-11 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Iizuka, M.,Patterson, K.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of succinylglutamatedesuccinylase/aspartoacylase from Rhodobacter sphaeroides. To be Published 0 0 0 0 3CG4 Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1 2008-03-04 2008-03-11 Patskovsky, Y.,Freeman, J.,Hu, S.,Bain, K.,Smith, D.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Response Regulator Receiver Domain Protein (Chey-Like) from Methanospirillum hungatei JF-1. To be Published 0 0 0 0 3BT3 Crystal structure of a glyoxalase-related enzyme from Clostridium phytofermentans 2007-12-27 2008-03-18 Rao, K.N.,Burley, S.K.,Swaminathan, S. Crystal structure of a glyoxalase-related enzyme from Clostridium phytofermentans. To be Published 0 0 0 0 3CFY Crystal structure of signal receiver domain of putative Luxo repressor protein from Vibrio parahaemolyticus 2008-03-04 2008-03-18 Patskovsky, Y.,Ramagopal, U.A.,Fong, R.,Freeman, J.,Iizuka, M.,Groshong, C.,Smith, D.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Signal Receiver Domain of Putative Luxo Repressor Protein from Vibrio Parahaemolyticus. To be Published 0 0 0 0 3CG0 Crystal structure of signal receiver domain of modulated diguanylate cyclase from Desulfovibrio desulfuricans G20, an example of alternate folding 2008-03-04 2008-03-18 Patskovsky, Y.,Bonanno, J.B.,Romero, R.,Gilmore, M.,Chang, S.,Groshong, C.,Koss, J.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Signal Receiver Domain of Modulated Diguanylate Cyclase from Desulfovibrio desulfuricans. To be Published 0 0 0 0 3CMN Crystal structure of a putative hydrolase with a novel fold from Chloroflexus aurantiacus 2008-03-24 2008-04-08 Agarwal, R.,Burley, S.K.,Swaminathan, S. Crystal structure of a putative hydrolase with a novel fold from Chloroflexus aurantiacus. To be Published 0 0 0 0 3CNB Crystal structure of signal receiver domain of DNA binding response regulator protein (merR) from Colwellia psychrerythraea 34H 2008-03-25 2008-04-08 Patskovsky, Y.,Romero, R.,Freeman, J.,Hu, S.,Groshong, C.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of signal receiver domain of DNA binding response regulator (merR) from Colwellia psychrerythraea 34H. To be Published 0 0 0 0 3CIZ 18400495 Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments 2008-03-12 2008-04-15 Antonysamy, S.S.,Aubol, B.,Blaney, J.,Browner, M.F.,Giannetti, A.M.,Harris, S.F.,Hebert, N.,Hendle, J.,Hopkins, S.,Jefferson, E.,Kissinger, C.,Leveque, V.,Marciano, D.,McGee, E.,Najera, I.,Nolan, B.,Tomimoto, M.,Torres, E.,Wright, T. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg.Med.Chem.Lett. 2008 18 2990 2995 3CJ0 18400495 Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments 2008-03-12 2008-04-15 Antonysamy, S.S.,Aubol, B.,Blaney, J.,Browner, M.F.,Giannetti, A.M.,Harris, S.F.,Hebert, N.,Hendle, J.,Hopkins, S.,Jefferson, E.,Kissinger, C.,Leveque, V.,Marciano, D.,McGee, E.,Najera, I.,Nolan, B.,Tomimoto, M.,Torres, E.,Wright, T. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg.Med.Chem.Lett. 2008 18 2990 2995 3CJ2 18400495 Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments 2008-03-12 2008-04-15 Antonysamy, S.S.,Aubol, B.,Blaney, J.,Browner, M.F.,Giannetti, A.M.,Harris, S.F.,Hebert, N.,Hendle, J.,Hopkins, S.,Jefferson, E.,Kissinger, C.,Leveque, V.,Marciano, D.,McGee, E.,Najera, I.,Nolan, B.,Tomimoto, M.,Torres, E.,Wright, T. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg.Med.Chem.Lett. 2008 18 2990 2995 3CJ3 18400495 Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments 2008-03-12 2008-04-15 Antonysamy, S.S.,Aubol, B.,Blaney, J.,Browner, M.F.,Giannetti, A.M.,Harris, S.F.,Hebert, N.,Hendle, J.,Hopkins, S.,Jefferson, E.,Kissinger, C.,Leveque, V.,Marciano, D.,McGee, E.,Najera, I.,Nolan, B.,Tomimoto, M.,Torres, E.,Wright, T. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg.Med.Chem.Lett. 2008 18 2990 2995 3CJ4 18400495 Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments 2008-03-12 2008-04-15 Antonysamy, S.S.,Aubol, B.,Blaney, J.,Browner, M.F.,Giannetti, A.M.,Harris, S.F.,Hebert, N.,Hendle, J.,Hopkins, S.,Jefferson, E.,Kissinger, C.,Leveque, V.,Marciano, D.,McGee, E.,Najera, I.,Nolan, B.,Tomimoto, M.,Torres, E.,Wright, T. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg.Med.Chem.Lett. 2008 18 2990 2995 3CJ5 18400495 Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments 2008-03-12 2008-04-15 Antonysamy, S.S.,Aubol, B.,Blaney, J.,Browner, M.F.,Giannetti, A.M.,Harris, S.F.,Hebert, N.,Hendle, J.,Hopkins, S.,Jefferson, E.,Kissinger, C.,Leveque, V.,Marciano, D.,McGee, E.,Najera, I.,Nolan, B.,Tomimoto, M.,Torres, E.,Wright, T. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg.Med.Chem.Lett. 2008 18 2990 2995 3COI Crystal structure of p38delta kinase 2008-03-28 2008-04-15 Atwell, S.,Burley, S.K.,Houle, A.,Ramos, A.,Sauder, J.M. Crystal structure of p38delta kinase. To be Published 0 0 0 0 3COK Crystal structure of PLK4 kinase 2008-03-28 2008-04-15 Atwell, S.,Burley, S.K.,Houle, A.,Leon, B.,Pelletier, L.A.,Sauder, J.M. Crystal structure of PLK4 kinase. To be Published 0 0 0 0 3COM Crystal structure of Mst1 kinase 2008-03-28 2008-04-15 Atwell, S.,Burley, S.K.,Dickey, M.,Leon, B.,Sauder, J.M. Crystal structure of Mst1 kinase. To be Published 0 0 0 0 3CRN Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1 2008-04-07 2008-04-22 Hiner, R.L.,Toro, R.,Patskovsky, Y.,Freeman, J.,Chang, S.,Smith, D.,Groshong, C.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1. To be Published 0 0 0 0 3CS3 Crystal structure of sugar-binding transcriptional regulator (LacI family) from Enterococcus faecalis 2008-04-08 2008-04-22 Patskovsky, Y.,Romero, R.,Freeman, J.,Iizuka, M.,Groshong, C.,Smith, D.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of sugar-binding transcriptional regulator (LacI family) from Enterococcus faecalis. To be Published 0 0 0 0 3CKW Crystal structure of sterile 20-like kinase 3 (MST3, STK24) 2008-03-17 2008-04-29 Antonysamy, S.S.,Burley, S.K.,Buchanan, S.,Chau, F.,Feil, I.,Wu, L.,Sauder, J.M. Crystal structure of sterile 20-like kinase 3 (MST3, STK24). To be Published 0 0 0 0 3CKX Crystal structure of sterile 20-like kinase 3 (MST3, STK24) in complex with staurosporine 2008-03-17 2008-04-29 Antonysamy, S.S.,Burley, S.K.,Buchanan, S.,Chau, F.,Feil, I.,Wu, L.,Sauder, J.M. Crystal structure of sterile 20-like kinase 3 (MST3, STK24) in complex with staurosporine. To be Published 0 0 0 0 3CLW Crystal structure of conserved exported protein from Bacteroides fragilis 2008-03-20 2008-04-29 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Chang, S.,Ozyurt, K.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of conserved exported protein from Bacteroides fragilis. To be Published 0 0 0 0 3CTA Crystal structure of riboflavin kinase from Thermoplasma acidophilum 2008-04-11 2008-04-29 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Mendoza, M.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of riboflavin kinase from Thermoplasma acidophilum. To be Published 0 0 0 0 3CTD Crystal structure of a putative AAA family ATPase from Prochlorococcus marinus subsp. pastoris 2008-04-11 2008-04-29 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Lau, C.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative AAA family ATPase from Prochlorococcus marinus subsp. pastoris. To be Published 0 0 0 0 3CTP Crystal structure of periplasmic binding protein/LacI transcriptional regulator from Alkaliphilus metalliredigens QYMF complexed with D-xylulofuranose 2008-04-14 2008-05-06 Malashkevich, V.N.,Toro, R.,Wasserman, S.R.,Meyer, A.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of periplasmic binding protein/LacI transcriptional regulator from Alkaliphilus metalliredigens QYMF complexed with L-xylulose. To be Published 0 0 0 0 3CU5 Crystal structure of a two component transcriptional regulator AraC from Clostridium phytofermentans ISDg 2008-04-15 2008-05-06 Malashkevich, V.N.,Toro, R.,Wasserman, S.R.,Meyer, A.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a two component transcriptional regulator AraC from Clostridium phytofermentans ISDg. To be Published 0 0 0 0 3CYJ Crystal structure of a mandelate racemase/muconate lactonizing enzyme-like protein from Rubrobacter xylanophilus 2008-04-25 2008-05-06 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Zhang, F.,Bravo, J.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a mandelate racemase/muconate lactonizing enzyme-like protein from Rubrobacter xylanophilus. To be Published 0 0 0 0 3CZ5 Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1 2008-04-28 2008-05-06 Malashkevich, V.N.,Toro, R.,Wasserman, S.R.,Meyer, A.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1. To be Published 0 0 0 0 3C9G Crystal structure of uncharacterized UPF0201 protein AF_135 2008-02-15 2008-05-13 Sugadev, R.,Ozyurt, S.,Burley, S.K.,Swaminathan, S. Crystal structure of uncharacterized UPF0201 protein AF_135. To be Published 0 0 0 0 3CVG Crystal structure of a periplasmic putative metal binding protein 2008-04-18 2008-05-13 Agarwal, R.,Burley, S.K.,Swaminathan, S. Crystal structure of a periplasmic putative metal binding protein. To be Published 0 0 0 0 3CYM Crystal structure of protein BAD_0989 from Bifidobacterium adolescentis 2008-04-25 2008-05-27 Patskovsky, Y.,Ozyurt, S.,Freeman, J.,Chang, S.,Bain, K.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of protein BAD_0989 from Bifidobacterium adolescentis. To be Published 0 0 0 0 3CZ8 Crystal structure of putative sporulation-specific glycosylase ydhD from Bacillus subtilis 2008-04-28 2008-05-27 Patskovsky, Y.,Romero, R.,Rutter, M.,Chang, S.,Maletic, M.,Smith, D.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative glycosylase ydhD from Bacillus subtilis. To be Published 0 0 0 0 3CZB Crystal structure of putative transglycosylase from Caulobacter crescentus 2008-04-28 2008-06-10 Ramagopal, U.A.,Chattopadhyay, K.,Toro, R.,Wasserman, S.,Freeman, J.,Logan, C.,Bain, K.,Gheyi, T.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative transglycosylase from Caulobacter crescentus. To be Published 0 0 0 0 3CP9 18447379 Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor 2008-03-31 2008-06-17 Hu, E.,Tasker, A.,White, R.D.,Kunz, R.K.,Human, J.,Chen, N.,Burli, R.,Hungate, R.,Novak, P.,Itano, A.,Zhang, X.,Yu, V.,Nguyen, Y.,Tudor, Y.,Plant, M.,Flynn, S.,Xu, Y.,Meagher, K.L.,Whittington, D.A.,Ng, G.Y. Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem. 2008 51 3065 3068 3CPB 18447379 Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor 2008-03-31 2008-06-17 Hu, E.,Tasker, A.,White, R.D.,Kunz, R.K.,Human, J.,Chen, N.,Burli, R.,Hungate, R.,Novak, P.,Itano, A.,Zhang, X.,Yu, V.,Nguyen, Y.,Tudor, Y.,Plant, M.,Flynn, S.,Xu, Y.,Meagher, K.L.,Whittington, D.A.,Ng, G.Y. Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem. 2008 51 3065 3068 3CPC 18447379 Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor 2008-03-31 2008-06-17 Hu, E.,Tasker, A.,White, R.D.,Kunz, R.K.,Human, J.,Chen, N.,Burli, R.,Hungate, R.,Novak, P.,Itano, A.,Zhang, X.,Yu, V.,Nguyen, Y.,Tudor, Y.,Plant, M.,Flynn, S.,Xu, Y.,Meagher, K.L.,Whittington, D.A.,Ng, G.Y. Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem. 2008 51 3065 3068 3D8K Crystal structure of a phosphatase from a toxoplasma gondii 2008-05-23 2008-06-17 Damodharan, L.,Sauder, J.M.,Burley, S.K.,Swaminathan, S. Crsytal structure of a phosphatase from a toxoplasma gondii To be Published 0 0 0 0 3DEC Crystal structure of a glycosyl hydrolases family 2 protein from Bacteroides thetaiotaomicron 2008-06-09 2008-06-17 Kumaran, D.,Bonanno, J.,Romero, R.,Burley, S.K.,Swaminathan, S. Crystal Structure of a Glycosyl Hydrolases Family 2 protein from Bacteroides thetaiotaomicron. To be Published 0 0 0 0 3DBI CRYSTAL STRUCTURE OF SUGAR-BINDING TRANSCRIPTIONAL REGULATOR (LACI FAMILY) FROM ESCHERICHIA COLI COMPLEXED WITH PHOSPHATE 2008-06-01 2008-07-01 Patskovsky, Y.,Ozyurt, S.,Freeman, J.,Wu, B.,Maletic, M.,Koss, J.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Sugar-Binding Transcriptional Regulator (LacI Family) from Escherichia Coli Complexed with Phosphate. To be Published 0 0 0 0 3D19 Crystal structure of a conserved metalloprotein from Bacillus cereus 2008-05-05 2008-07-08 Bonanno, J.B.,Patskovsky, Y.,Freeman, J.,Bain, K.T.,Chang, S.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a conserved metalloprotein from Bacillus cereus. To be Published 0 0 0 0 3DJC CRYSTAL STRUCTURE OF PANTOTHENATE KINASE FROM LEGIONELLA PNEUMOPHILA 2008-06-23 2008-07-15 Patskovsky, Y.,Bonanno, J.B.,Romero, R.,Dickey, M.,Logan, C.,Maletic, M.,Wasserman, S.,Koss, J.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Pantothenate Kinase from Legionella Pneumophila To be Published 0 0 0 0 3DK3 Crystal structure of mutant ABL kinase domain in complex with small molecule fragment 2008-06-24 2008-07-29 Bounaud, P.-Y.,Gosberg, A.,Hendle, J.,Lewis, H.A.,Romero, R.,Wilson, M.E.,Zhang, F. Crystal structure of mutant ABL kinase domain in complex with small molecule fragment To be Published 0 0 0 0 3DK6 Crystal structure of mutant ABL kinase domain in complex with small molecule fragment 2008-06-24 2008-07-29 Bounaud, P.-Y.,Gosberg, A.,Hendle, J.,Lewis, H.A.,Romero, R.,Wilson, M.E.,Zhang, F. Crystal structure of mutant ABL kinase domain in complex with small molecule fragment To be Published 0 0 0 0 3DK7 Crystal structure of mutant ABL kinase domain in complex with small molecule fragment 2008-06-24 2008-07-29 Bounaud, P.-Y.,Gosberg, A.,Hendle, J.,Lewis, H.A.,Romero, R.,Wilson, M.E.,Zhang, F. Crystal structure of mutant ABL kinase domain in complex with small molecule fragment To be Published 0 0 0 0 3DHU Crystal structure of an alpha-amylase from Lactobacillus plantarum 2008-06-18 2008-08-12 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Iizuka, M.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an alpha-amylase from Lactobacillus plantarum To be Published 0 0 0 0 3DLS 20943661 Crystal structure of human PAS kinase bound to ADP 2008-06-29 2008-08-26 Kikani, C.K.,Antonysamy, S.A.,Bonanno, J.B.,Romero, R.,Zhang, F.F.,Russell, M.,Gheyi, T.,Iizuka, M.,Emtage, S.,Sauder, J.M.,Turk, B.E.,Burley, S.K.,Rutter, J. Structural bases of PAS domain-regulated kinase (PASK) activation in the absence of activation loop phosphorylation. J.Biol.Chem. 2010 285 41034 41043 3E0S Crystal structure of an uncharacterized protein from Chlorobium tepidum 2008-07-31 2008-08-26 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Powell, A.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized protein from Chlorobium tepidum To be Published 0 0 0 0 3E2V Crystal structure of an uncharacterized amidohydrolase from Saccharomyces cerevisiae 2008-08-06 2008-08-26 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Hu, S.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized amidohydrolase from Saccharomyces cerevisiae To be Published 0 0 0 0 3E3M Crystal structure of a LacI family transcriptional regulator from Silicibacter pomeroyi 2008-08-07 2008-08-26 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Iizuka, M.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a LacI family transcriptional regulator from Silicibacter pomeroyi To be Published 0 0 0 0 3E61 Crystal structure of a putative transcriptional repressor of ribose operon from Staphylococcus saprophyticus subsp. saprophyticus 2008-08-14 2008-08-26 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Chang, S.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative transcriptional repressor of ribose operon from Staphylococcus saprophyticus subsp. saprophyticus To be Published 0 0 0 0 3DO9 Crystal structure of protein ba1542 from bacillus anthracis str.ames 2008-07-03 2008-09-02 Patskovsky, Y.,Ozyurt, S.,Freeman, J.,Iizuka, M.,Maletic, M.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Protein Ba1542 from Bacillus Anthracis Str.Ames. To be Published 0 0 0 0 3DOU Crystal structure of methyltransferase involved in cell division from thermoplasma volcanicum gss1 2008-07-06 2008-09-02 Patskovsky, Y.,Ozyurt, S.,Dickey, M.,Hu, S.,Bain, K.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Methyltransferase Involved in Cell Division from Thermoplasma Volcanicum To be Published 0 0 0 0 3E8V Crystal structure of a possible transglutaminase-family protein proteolytic fragment from Bacteroides fragilis 2008-08-20 2008-09-02 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Hu, S.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a possible transglutaminase-family protein proteolytic fragment from Bacteroides fragilis To be Published 0 0 0 0 3E9N Crystal structure of a putative short-chain dehydrogenase/reductase from Corynebacterium glutamicum 2008-08-22 2008-09-02 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Hu, S.,Romero, R.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative short-chain dehydrogenase/reductase from Corynebacterium glutamicum To be Published 0 0 0 0 3DTD Crystal structure of invasion associated protein b from bartonella henselae 2008-07-14 2008-09-09 Patskovsky, Y.,Ozyurt, S.,Freeman, J.,Slocombe, A.,Groshong, C.,Koss, J.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Invasion Associated Protein B from Bartonella Henselae. To be Published 0 0 0 0 3DTW 18723346 Crystal structure of the VEGFR2 kinase domain in complex with a benzisoxazole inhibitor 2008-07-16 2008-09-09 Kunz, R.K.,Rumfelt, S.,Chen, N.,Zhang, D.,Tasker, A.S.,Burli, R.,Hungate, R.,Yu, V.,Nguyen, Y.,Whittington, D.A.,Meagher, K.L.,Plant, M.,Tudor, Y.,Schrag, M.,Xu, Y.,Ng, G.Y.,Hu, E. Discovery of amido-benzisoxazoles as potent c-Kit inhibitors. Bioorg.Med.Chem.Lett. 2008 18 5115 5117 3E03 Crystal structure of a putative dehydrogenase from Xanthomonas campestris 2008-07-30 2008-09-16 Sampathkumar, P.,Wasserman, S.,Rutter, M.,Hu, S.,Bain, K.,Rodgers, L.,Atwell, S.,Sauder, J.M.,Burley, S.K. Crystal structure of a putative dehydrogenase from Xanthomonas campestris To be Published 0 0 0 0 3ED4 Crystal structure of putative arylsulfatase from escherichia coli 2008-09-02 2008-09-16 Patskovsky, Y.,Ozyurt, S.,Gilmore, M.,Chang, S.,Bain, K.,Wasserman, S.,Koss, J.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Arylsulfatase from Escherichia Coli To be Published 0 0 0 0 3EEZ Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Silicibacter pomeroyi 2008-09-07 2008-09-30 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Hu, S.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Silicibacter pomeroyi To be Published 0 0 0 0 3EGC Crystal structure of a putative ribose operon repressor from Burkholderia thailandensis 2008-09-10 2008-09-30 Bonanno, J.B.,Patskovsky, Y.,Gilmore, M.,Bain, K.T.,Hu, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative ribose operon repressor from Burkholderia thailandensis To be Published 0 0 0 0 3EOI CRYSTAL STRUCTURE OF putative PROTEIN PilM from Escherichia coli B7A 2008-09-26 2008-10-07 Malashkevich, V.N.,Toro, R.,Bonanno, J.B.,Sauder, J.M.,Wasserman, S.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized protein to be published 0 0 0 0 3E62 19019674 Fragment based discovery of JAK-2 inhibitors 2008-08-14 2008-10-14 Antonysamy, S.,Hirst, G.,Park, F.,Sprengeler, P.,Stappenbeck, F.,Steensma, R.,Wilson, M.,Wong, M. Fragment-based discovery of JAK-2 inhibitors. Bioorg.Med.Chem.Lett. 2009 19 279 282 3E63 19019674 Fragment based discovery of JAK-2 inhibitors 2008-08-14 2008-10-14 Antonysamy, S.,Hirst, G.,Park, F.,Sprengeler, P.,Stappenbeck, F.,Steensma, R.,Wilson, M.,Wong, M. Fragment-based discovery of JAK-2 inhibitors. Bioorg.Med.Chem.Lett. 2009 19 279 282 3E64 19019674 Fragment based discovery of JAK-2 inhibitors 2008-08-14 2008-10-14 Antonysamy, S.,Hirst, G.,Park, F.,Sprengeler, P.,Stappenbeck, F.,Steensma, R.,Wilson, M.,Wong, M. Fragment-based discovery of JAK-2 inhibitors. Bioorg.Med.Chem.Lett. 2009 19 279 282 3E9V Crystal structure of human B-cell Translocation Gene 2 (BTG2) 2008-08-23 2008-10-14 Sampathkumar, P. Crystal structure of human B-cell Translocation Gene 2 (BTG2) To be Published 0 0 0 0 3ERV Crystal structure of an putative C39-like peptidase from Bacillus anthracis 2008-10-03 2008-10-14 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Iizuka, M.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an putative C39-like peptidase from Bacillus anthracis To be Published 0 0 0 0 3ESM Crystal structure of an uncharacterized protein from Nocardia farcinica reveals an immunoglobulin-like fold 2008-10-06 2008-10-14 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Hu, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized protein from Nocardia farcinica reveals an immunoglobulin-like fold To be Published 0 0 0 0 3EVT Crystal structure of phosphoglycerate dehydrogenase from Lactobacillus plantarum 2008-10-13 2008-10-21 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Do, J.,Sampathkumar, P.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of phosphoglycerate dehydrogenase from Lactobacillus plantarum To be Published 0 0 0 0 3EVY Crystal structure of a fragment of a putative type I restriction enzyme R protein from Bacteroides fragilis 2008-10-13 2008-10-21 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Miller, S.,Sampathkumar, P.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a fragment of a putative type I restriction enzyme R protein from Bacteroides fragilis To be Published 0 0 0 0 3EYE Crystal structure of PTS system N-acetylgalactosamine-specific IIB component 1 from Escherichia coli 2008-10-20 2008-11-04 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Do, J.,Sampathkumar, P.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of PTS system N-acetylgalactosamine-specific IIB component 1 from Escherichia coli To be Published 0 0 0 0 3EYP Crystal structure of putative alpha-L-fucosidase from Bacteroides thetaiotaomicron 2008-10-21 2008-11-04 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Hu, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative alpha-L-fucosidase from Bacteroides thetaiotaomicron To be Published 0 0 0 0 3F1K Crystal Structure of yciK from E. coli, an oxidoreductase, complexed with NADP+ at 2.6A resolution 2008-10-28 2008-11-18 Vijayalakshmi, J.,Meredith, T.C.,Woodard, R.W. Structure of an oxidoreductase, yciK from E. coli, in two crystal forms - NADP+ unbound structure at 0.95 A resolution to be published 0 0 0 0 3CQI 18849419 Crystal Structure of L-xylulose-5-phosphate 3-epimerase UlaE (form B) complex with sulfate 2008-04-03 2008-11-25 Shi, R.,Pineda, M.,Ajamian, E.,Cui, Q.,Matte, A.,Cygler, M. Structure of L-xylulose-5-Phosphate 3-epimerase (UlaE) from the anaerobic L-ascorbate utilization pathway of Escherichia coli: identification of a novel phosphate binding motif within a TIM barrel fold. J.Bacteriol. 2008 190 8137 8144 3CQJ 18849419 Crystal Structure of L-xylulose-5-phosphate 3-epimerase UlaE (form B) complex with Zn2+ 2008-04-03 2008-11-25 Shi, R.,Pineda, M.,Ajamian, E.,Cui, Q.,Matte, A.,Cygler, M. Structure of L-xylulose-5-Phosphate 3-epimerase (UlaE) from the anaerobic L-ascorbate utilization pathway of Escherichia coli: identification of a novel phosphate binding motif within a TIM barrel fold. J.Bacteriol. 2008 190 8137 8144 3CQK 18849419 Crystal Structure of L-xylulose-5-phosphate 3-epimerase UlaE (form B) complex with Zn2+ and sulfate 2008-04-03 2008-11-25 Shi, R.,Pineda, M.,Ajamian, E.,Cui, Q.,Matte, A.,Cygler, M. Structure of L-xylulose-5-Phosphate 3-epimerase (UlaE) from the anaerobic L-ascorbate utilization pathway of Escherichia coli: identification of a novel phosphate binding motif within a TIM barrel fold. J.Bacteriol. 2008 190 8137 8144 3F13 Crystal structure of putative nudix hydrolase family member from Chromobacterium violaceum 2008-10-27 2008-11-25 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Do, J.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative nudix hydrolase family member from Chromobacterium violaceum To be Published 0 0 0 0 3F6C CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF POSITIVE TRANSCRIPTION REGULATOR evgA FROM ESCHERICHIA COLI 2008-11-05 2008-11-25 Patskovsky, Y.,Romero, R.,Freeman, J.,Wu, B.,Bain, K.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF POSITIVE TRANSCRIPTION REGULATOR evgA FROM ESCHERICHIA COLI To be Published 0 0 0 0 3FBG Crystal structure of a putative arginate lyase from Staphylococcus haemolyticus 2008-11-19 2008-12-09 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Do, J.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative arginate lyase from Staphylococcus haemolyticus To be Published 0 0 0 0 3FBT Crystal structure of a chorismate mutase/shikimate 5-dehydrogenase fusion protein from Clostridium acetobutylicum 2008-11-19 2008-12-09 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Hu, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a chorismate mutase/shikimate 5-dehydrogenase fusion protein from Clostridium acetobutylicum To be Published 0 0 0 0 3EK7 19098007 Calcium-saturated GCaMP2 dimer 2008-09-18 2008-12-16 Akerboom, J.,Rivera, J.D.,Guilbe, M.M.,Malave, E.C.,Hernandez, H.H.,Tian, L.,Hires, S.A.,Marvin, J.S.,Looger, L.L.,Schreiter, E.R. Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design J.Biol.Chem. 2009 284 6455 6464 3EKH 19098007 Calcium-saturated GCaMP2 T116V/K378W mutant monomer 2008-09-19 2008-12-16 Akerboom, J.,Rivera, J.D.,Guilbe, M.M.,Malave, E.C.,Hernandez, H.H.,Tian, L.,Hires, S.A.,Marvin, J.S.,Looger, L.L.,Schreiter, E.R. Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design J.Biol.Chem. 2009 284 6455 6464 3EKJ 19098007 Calcium-free GCaMP2 (calcium binding deficient mutant) 2008-09-19 2008-12-16 Akerboom, J.,Rivera, J.D.,Guilbe, M.M.,Malave, E.C.,Hernandez, H.H.,Tian, L.,Hires, S.A.,Marvin, J.S.,Looger, L.L.,Schreiter, E.R. Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design J.Biol.Chem. 2009 284 6455 6464 3FEQ 20604542 Crystal structure of uncharacterized protein eah89906 2008-11-30 2008-12-16 Xiang, D.F.,Patskovsky, Y.,Xu, C.,Fedorov, A.A.,Fedorov, E.V.,Sisco, A.A.,Sauder, J.M.,Burley, S.K.,Almo, S.C.,Raushel, F.M. Functional identification and structure determination of two novel prolidases from cog1228 in the amidohydrolase superfamily . Biochemistry 2010 49 6791 6803 3FDU Crystal structure of a putative enoyl-CoA hydratase/isomerase from Acinetobacter baumannii 2008-11-26 2008-12-23 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Tang, B.K.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative enoyl-CoA hydratase/isomerase from Acinetobacter baumannii To be Published 0 0 0 0 3FDW Crystal structure of a C2 domain from human synaptotagmin-like protein 4 2008-11-26 2008-12-23 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Miller, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a C2 domain from human synaptotagmin-like protein 4 To be Published 0 0 0 0 3FI9 Crystal structure of malate dehydrogenase from Porphyromonas gingivalis 2008-12-11 2008-12-23 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Miller, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of malate dehydrogenase from Porphyromonas gingivalis To be Published 0 0 0 0 3FK9 Crystal structure of mMutator MutT protein from Bacillus halodurans 2008-12-16 2009-01-13 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Hu, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of mMutator MutT protein from Bacillus halodurans To be Published 0 0 0 0 3ETR 19109252 Crystal structure of xanthine oxidase in complex with lumazine 2008-10-08 2009-01-27 Pauff, J.M.,Cao, H.,Hille, R. Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: CRYSTAL STRUCTURES IN COMPLEX WITH XANTHINE AND LUMAZINE. J.Biol.Chem. 2009 284 8760 8767 3EUB 19109252 Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine 2008-10-09 2009-01-27 Pauff, J.M.,Cao, H.,Hille, R. Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: CRYSTAL STRUCTURES IN COMPLEX WITH XANTHINE AND LUMAZINE. J.Biol.Chem. 2009 284 8760 8767 3FV9 Crystal structure of putative mandelate racemase/muconatelactonizing enzyme from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium 2009-01-15 2009-01-27 Malashkevich, V.N.,Rutter, M.,Bain, K.T.,Lau, C.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative mandelate racemase/muconatelactonizing enzyme from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium to be published 0 0 0 0 3FVD Crystal structure of a member of enolase superfamily from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium 2009-01-15 2009-01-27 Malashkevich, V.N.,Rutter, M.,Bain, K.T.,Lau, C.,Ozyurt, S.,Smith, D.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a member of enolase superfamily from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium to be published 0 0 0 0 3FYF Crystal structure of uncharacterized protein bvu_3222 from bacteroides vulgatus 2009-01-22 2009-02-10 Patskovsky, Y.,Bonanno, J.B.,Ozyurt, S.,Rutter, M.,Chang, S.,Groshong, C.,Koss, J.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Protein Bvu-3222 from Bacteroides Vulgatus To be Published 0 0 0 0 3G12 Crystal structure of a putative lactoylglutathione lyase from Bdellovibrio bacteriovorus 2009-01-29 2009-02-10 Patskovsky, Y.,Madegowda, M.,Gilmore, M.,Chang, S.,Maletic, M.,Smith, D.,Sauder, J.M.,Burley, S.K.,Swaminathan, S.,Almo, S.C. Crystal structure of a putative lactoylglutathione lyase from Bdellovibrio bacteriovorus To be Published 0 0 0 0 3G5L Crystal structure of putative S-adenosylmethionine dependent methyltransferase from Listeria monocytogenes 2009-02-05 2009-02-17 Patskovsky, Y.,Sampathkumar, P.,Gilmore, M.,Miller, S.,Koss, J.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of S-Adenosylmethionine Dependent Methyltransferase from Listeria Monocytogenes To be Published 0 0 0 0 3CES 19801413 Crystal Structure of E.coli MnmG (GidA), a Highly-Conserved tRNA Modifying Enzyme 2008-02-29 2009-03-03 Shi, R.,Villarroya, M.,Ruiz-Partida, R.,Li, Y.,Proteau, A.,Prado, S.,Moukadiri, I.,Benitez-Paez, A.,Lomas, R.,Wagner, J.,Matte, A.,Velazquez-Campoy, A.,Armengod, M.E.,Cygler, M. Structure-function analysis of Escherichia coli MnmG (GidA), a highly conserved tRNA-modifying enzyme. J.Bacteriol. 2009 191 7614 7619 3FIR 19236052 Crystal structure of Glycosylated K135E PEB3 2008-12-12 2009-03-10 Min, T.,Vedadi, M.,Watson, D.C.,Wasney, G.A.,Munger, C.,Cygler, M.,Matte, A.,Young, N.M. Specificity of Campylobacter jejuni adhesin PEB3 for phosphates and structural differences among its ligand complexes. Biochemistry 2009 48 3057 3067 3FJ7 19236052 Crystal structure of L-phospholactate Bound PEB3 2008-12-14 2009-03-10 Min, T.,Vedadi, M.,Watson, D.C.,Wasney, G.A.,Munger, C.,Cygler, M.,Matte, A.,Young, N.M. Specificity of Campylobacter jejuni adhesin PEB3 for phosphates and structural differences among its ligand complexes. Biochemistry 2009 48 3057 3067 3FJM 19236052 crystal structure of phosphate bound PEB3 2008-12-14 2009-03-10 Min, T.,Vedadi, M.,Watson, D.C.,Wasney, G.A.,Munger, C.,Cygler, M.,Matte, A.,Young, N.M. Specificity of Campylobacter jejuni adhesin PEB3 for phosphates and structural differences among its ligand complexes. Biochemistry 2009 48 3057 3067 3GH1 Crystal structure of predicted nucleotide-binding protein from Vibrio cholerae 2009-03-02 2009-03-10 Malashkevich, V.N.,Toro, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of predicted nucleotide-binding protein from Vibrio cholerae. To be Published 0 0 0 0 3FZU 19265386 IgG1 Fab characterized by H/D exchange 2009-01-26 2009-03-17 Houde, D.,Arndt, J.,Domeier, W.,Berkowitz, S.,Engen, J.R. Characterization of IgG1 conformation and conformational dynamics by hydrogen/deuterium exchange mass spectrometry. Anal Chem 2009 81 2644 2651 3GBW 20156452 Crystal structure of the first PHR domain of the Mouse Myc-binding protein 2 (MYCBP-2) 2009-02-20 2009-03-24 Sampathkumar, P.,Ozyurt, S.A.,Miller, S.A.,Bain, K.T.,Rutter, M.E.,Gheyi, T.,Abrams, B.,Wang, Y.,Atwell, S.,Luz, J.G.,Thompson, D.A.,Wasserman, S.R.,Emtage, J.S.,Park, E.C.,Rongo, C.,Jin, Y.,Klemke, R.L.,Sauder, J.M.,Burley, S.K. Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1. J.Mol.Biol. 2010 397 883 892 3GG2 Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate 2009-02-27 2009-03-24 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Chang, S.,Sampathkumar, P.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate To be Published 0 0 0 0 3GG7 Crystal structure of an uncharacterized metalloprotein from Deinococcus radiodurans 2009-02-27 2009-03-24 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Tang, B.K.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized metalloprotein from Deinococcus radiodurans To be Published 0 0 0 0 3GHF Crystal structure of the septum site-determining protein minC from Salmonella typhimurium 2009-03-03 2009-03-24 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Chang, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the septum site-determining protein minC from Salmonella typhimurium To be Published 0 0 0 0 3GKB Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis 2009-03-10 2009-03-24 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Chang, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis To be Published 0 0 0 0 3GMG Crystal structure of an uncharacterized conserved protein from Mycobacterium tuberculosis 2009-03-13 2009-03-24 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Chang, S.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized conserved protein from Mycobacterium tuberculosis To be Published 0 0 0 0 3GM8 Crystal structure of a beta-glycosidase from Bacteroides vulgatus 2009-03-13 2009-03-31 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Iizuka, M.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a beta-glycosidase from Bacteroides vulgatus To be Published 0 0 0 0 3GO2 Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium 2009-03-18 2009-03-31 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Chang, S.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium. To be Published 0 0 0 0 3GRN CRYSTAL STRUCTURE OF MUTT PROTEIN FROM Methanosarcina mazei Go1 2009-03-26 2009-04-07 Patskovsky, Y.,Romero, R.,Gilmore, M.,Do, J.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. CRYSTAL STRUCTURE OF MUTT PROTEIN FROM Methanosarcina mazei Go1 To be Published 0 0 0 0 3GTZ Crystal structure of a putative translation initiation inhibitor from Salmonella typhimurium 2009-03-28 2009-04-07 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Miller, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative translation initiation inhibitor from Salmonella typhimurium To be Published 0 0 0 0 3GUV Crystal structure of a resolvase family site-specific recombinase from Streptococcus pneumoniae 2009-03-30 2009-04-07 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Do, J.,Sampathkumar, P.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a resolvase family site-specific recombinase from Streptococcus pneumoniae To be Published 0 0 0 0 3GT5 Crystal structure of an N-acetylglucosamine 2-epimerase family protein from Xylella fastidiosa 2009-03-27 2009-04-14 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Iizuka, M.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an N-acetylglucosamine 2-epimerase family protein from Xylella fastidiosa To be Published 0 0 0 0 3GUY Crystal structure of a short-chain dehydrogenase/reductase from Vibrio parahaemolyticus 2009-03-30 2009-04-14 Patskovsky, Y.,Bonanno, J.B.,Freeman, J.,Bain, K.T.,Miller, S.,Sampathkumar, P.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a short-chain dehydrogenase/reductase from Vibrio parahaemolyticus To be Published 0 0 0 0 3GWY Crystal structure of putative CTP pyrophosphohydrolase from Bacteroides fragilis 2009-04-01 2009-04-14 Patskovsky, Y.,Romero, R.,Gilmore, M.,Do, J.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Ctp Pyrophosphohydrolase from Bacteroides fragilis To be Published 0 0 0 0 3H0U Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis 2009-04-10 2009-04-21 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Miller, S.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis To be Published 0 0 0 0 3G2O 19389626 Crystal Structure of the Glycopeptide N-methyltransferase MtfA complexed with (S)-adenosyl-L-methionine (SAM) 2009-01-31 2009-05-05 Shi, R.,Lamb, S.S.,Zakeri, B.,Proteau, A.,Cui, Q.,Sulea, T.,Matte, A.,Wright, G.D.,Cygler, M. Structure and function of the glycopeptide N-methyltransferase MtfA, a tool for the biosynthesis of modified glycopeptide antibiotics. Chem.Biol. 2009 16 401 410 3G2Q 19389626 Crystal Structure of the Glycopeptide N-methyltransferase MtfA complexed with sinefungin 2009-01-31 2009-05-05 Shi, R.,Lamb, S.S.,Zakeri, B.,Proteau, A.,Cui, Q.,Sulea, T.,Matte, A.,Wright, G.D.,Cygler, M. Structure and function of the glycopeptide N-methyltransferase MtfA, a tool for the biosynthesis of modified glycopeptide antibiotics. Chem.Biol. 2009 16 401 410 3H14 Crystal structure of a putative aminotransferase from Silicibacter pomeroyi 2009-04-10 2009-05-05 Sampathkumar, P. Crystal structure of a putative aminotransferase from Silicibacter pomeroyi TO BE PUBLISHED 0 0 0 0 3H5I Crystal structure of the N-terminal domain of a response regulator/sensory box/GGDEF 3-domain protein from Carboxydothermus hydrogenoformans 2009-04-22 2009-05-05 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Iizuka, M.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of the N-terminal domain of a response regulator/sensory box/GGDEF 3-domain protein from Carboxydothermus hydrogenoformans To be Published 0 0 0 0 3H5L Crystal structure of a putative branched-chain amino acid ABC transporter from Silicibacter pomeroyi 2009-04-22 2009-05-05 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Iizuka, M.,Sampathkumar, P.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative branched-chain amino acid ABC transporter from Silicibacter pomeroyi To be Published 0 0 0 0 3H4R 19446525 Crystal structure of E. coli RecE exonuclease 2009-04-20 2009-05-26 Zhang, J.,Xing, X.,Herr, A.B.,Bell, C.E. Crystal structure of E. coli RecE protein reveals a toroidal tetramer for processing double-stranded DNA breaks. Structure 2009 17 690 702 3HG9 CRYSTAL STRUCTURE OF putative pilM protein from Pseudomonas aeruginosa 2192 2009-05-13 2009-05-26 Malashkevich, V.N.,Toro, R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. CRYSTAL STRUCTURE OF putative pilM protein from Pseudomonas aeruginosa 2192 To be Published 0 0 0 0 3HM7 Crystal structure of allantoinase from Bacillus halodurans C-125 2009-05-28 2009-06-09 Patskovsky, Y.,Romero, R.,Rutter, M.,Miller, S.,Raushel, F.M.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal Structure of Allantoinase from Bacillus Halodurans To be Published 0 0 0 0 3H9M Crystal structure of para-aminobenzoate synthetase, component I from Cytophaga hutchinsonii 2009-04-30 2009-06-30 Sampathkumar, P.,Atwell, S.,Wasserman, S.,Do, J.,Bain, K.,Rutter, M.,Gheyi, T.,Sauder, J.M.,Burley, S.K. Crystal structure of para-aminobenzoate synthetase, component I from Cytophaga hutchinsonii To be Published 0 0 0 0 3DKC 19934279 Structure of MET receptor tyrosine kinase in complex with ATP 2008-06-24 2009-07-07 Buchanan, S.G.,Hendle, J.,Lee, P.S.,Smith, C.R.,Bounaud, P.Y.,Jessen, K.A.,Tang, C.M.,Huser, N.H.,Felce, J.D.,Froning, K.J.,Peterman, M.C.,Aubol, B.E.,Gessert, S.F.,Sauder, J.M.,Schwinn, K.D.,Russell, M.,Rooney, I.A.,Adams, J.,Leon, B.C.,Do, T.H.,Blaney, J.M.,Sprengeler, P.A.,Thompson, D.A.,Smyth, L.,Pelletier, L.A.,Atwell, S.,Holme, K.,Wasserman, S.R.,Emtage, S.,Burley, S.K.,Reich, S.H. SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo. Mol.Cancer Ther. 2009 8 3181 3190 3DKF 19934279 Structure of MET receptor tyrosine kinase in complex with inhibitor SGX-523 2008-06-24 2009-07-07 Buchanan, S.G.,Hendle, J.,Lee, P.S.,Smith, C.R.,Bounaud, P.Y.,Jessen, K.A.,Tang, C.M.,Huser, N.H.,Felce, J.D.,Froning, K.J.,Peterman, M.C.,Aubol, B.E.,Gessert, S.F.,Sauder, J.M.,Schwinn, K.D.,Russell, M.,Rooney, I.A.,Adams, J.,Leon, B.C.,Do, T.H.,Blaney, J.M.,Sprengeler, P.A.,Thompson, D.A.,Smyth, L.,Pelletier, L.A.,Atwell, S.,Holme, K.,Wasserman, S.R.,Emtage, S.,Burley, S.K.,Reich, S.H. SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo. Mol.Cancer Ther. 2009 8 3181 3190 3DKG 19934279 Structure of Mutant(Y1248L) MET receptor tyrosine kinase in complex with inhibitor SGX-523 2008-06-24 2009-07-07 Buchanan, S.G.,Hendle, J.,Lee, P.S.,Smith, C.R.,Bounaud, P.Y.,Jessen, K.A.,Tang, C.M.,Huser, N.H.,Felce, J.D.,Froning, K.J.,Peterman, M.C.,Aubol, B.E.,Gessert, S.F.,Sauder, J.M.,Schwinn, K.D.,Russell, M.,Rooney, I.A.,Adams, J.,Leon, B.C.,Do, T.H.,Blaney, J.M.,Sprengeler, P.A.,Thompson, D.A.,Smyth, L.,Pelletier, L.A.,Atwell, S.,Holme, K.,Wasserman, S.R.,Emtage, S.,Burley, S.K.,Reich, S.H. SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo. Mol.Cancer Ther. 2009 8 3181 3190 3HUR Crystal structure of alanine racemase from Oenococcus oeni 2009-06-15 2009-07-14 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Hu, S.,Romero, R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of alanine racemase from Oenococcus oeni To be Published 0 0 0 0 3I0T Sulfur-SAD at long wavelength: Structure of BH3703 from Bacillus halodurans 2009-06-25 2009-07-14 Ramagopal, U.A.,Toro, R.,Wasserman, S.,Burley, S.K.,Almo, S.C. Sulfur-SAD at long wavelength: Structure of BH3703 from Bacillus halodurans To be published 0 0 0 0 3HQC Crystal structure of Phosphotyrosine-binding domain from the Human Tensin-like C1 domain-containing phosphatase (TENC1) 2009-06-05 2009-07-21 Sampathkumar, P.,Romero, R.,Wasserman, S.,Do, J.,Dickey, M.,Bain, K.,Gheyi, T.,Klemke, R.,Atwell, S.,Sauder, J.M.,Burley, S.K. Crystal structure of Phosphotyrosine-binding domain from the Human Tensin-like C1 domain-containing phosphatase (TENC1) To be Published 0 0 0 0 3HWJ 20156452 Crystal structure of the second PHR domain of Mouse Myc-binding protein 2 (MYCBP-2) 2009-06-17 2009-07-21 Sampathkumar, P.,Ozyurt, S.A.,Miller, S.A.,Bain, K.T.,Rutter, M.E.,Gheyi, T.,Abrams, B.,Wang, Y.,Atwell, S.,Luz, J.G.,Thompson, D.A.,Wasserman, S.R.,Emtage, J.S.,Park, E.C.,Rongo, C.,Jin, Y.,Klemke, R.L.,Sauder, J.M.,Burley, S.K. Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1. J.Mol.Biol. 2010 397 883 892 3I6T Crystal structure of muconate cycloisomerase from Jannaschia sp. 2009-07-07 2009-07-21 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Do, J.,Romero, R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of muconate cycloisomerase from Jannaschia sp. To be Published 0 0 0 0 3I6V Crystal structure of a periplasmic His/Glu/Gln/Arg/opine family-binding protein from Silicibacter pomeroyi in complex with lysine 2009-07-07 2009-07-21 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Miller, S.,Romero, R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a periplasmic His/Glu/Gln/Arg/opine family-binding protein from Silicibacter pomeroyi in complex with lysine To be Published 0 0 0 0 3I76 The crystal structure of the orthorhombic form of the putative HAD-hydrolase YfnB from Bacillus subtilis bound to magnesium reveals interdomain movement 2009-07-08 2009-07-21 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Tang, B.K.,Romero, R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. The crystal structure of the orthorhombic form of the putative HAD-hydrolase YfnB from Bacillus subtilis bound to magnesium reveals interdomain movement To be Published 0 0 0 0 3I83 Crystal structure of 2-dehydropantoate 2-reductase from Methylococcus capsulatus 2009-07-09 2009-07-21 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Chang, S.,Sampathkumar, P.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of 2-dehydropantoate 2-reductase from Methylococcus capsulatus To be Published 0 0 0 0 3I9F Crystal structure of a putative type 11 methyltransferase from Sulfolobus solfataricus 2009-07-10 2009-07-28 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Chang, S.,Ozyurt, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative type 11 methyltransferase from Sulfolobus solfataricus To be Published 0 0 0 0 3I9X Crystal structure of a mutT/nudix family protein from Listeria innocua 2009-07-13 2009-07-28 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Miller, S.,Romero, R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a mutT/nudix family protein from Listeria innocua To be Published 0 0 0 0 3IAN Crystal structure of a chitinase from Lactococcus lactis subsp. lactis 2009-07-14 2009-07-28 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Miller, S.,Ozyurt, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a chitinase from Lactococcus lactis subsp. lactis To be Published 0 0 0 0 3IB6 Crystal structure of an uncharacterized protein from Listeria monocytogenes serotype 4b 2009-07-15 2009-07-28 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Do, J.,Ozyurt, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized protein from Listeria monocytogenes serotype 4b To be Published 0 0 0 0 3ICJ Crystal structure of an uncharacterized metal-dependent hydrolase from pyrococcus furiosus 2009-07-17 2009-07-28 Bonanno, J.B.,Patskovsky, Y.,Freeman, J.,Bain, K.T.,Hu, S.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Raushel, F.M.,Burley, S.K.,Almo, S.C. Crystal Structure of an Uncharacterized Metal-Dependent Hydrolase from Pyrococcus Furiosus To be Published 0 0 0 0 3HC3 19626705 BHA10 IgG1 Fab double mutant variant - antibody directed at human LTBR 2009-05-05 2009-08-04 Jordan, J.L.,Arndt, J.W.,Hanf, K.,Li, G.,Hall, J.,Demarest, S.,Huang, F.,Wu, X.,Miller, B.,Glaser, S.,Fernandez, E.J.,Wang, D.,Lugovskoy, A. Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules Proteins 2009 77 832 841 3HC4 19626705 BHA10 IgG1 Fab quadruple mutant variant - antibody directed at human LTBR 2009-05-05 2009-08-04 Jordan, J.L.,Arndt, J.W.,Hanf, K.,Li, G.,Hall, J.,Demarest, S.,Huang, F.,Wu, X.,Miller, B.,Glaser, S.,Fernandez, E.J.,Wang, D.,Lugovskoy, A. Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules Proteins 2009 77 832 841 3FW0 19604476 Structure of Peptidyl-alpha-hydroxyglycine alpha-Amidating Lyase (PAL) bound to alpha-hydroxyhippuric acid (non-peptidic substrate) 2009-01-16 2009-09-01 Chufan, E.E.,De, M.,Eipper, B.A.,Mains, R.E.,Amzel, L.M. Amidation of bioactive peptides: the structure of the lyase domain of the amidating enzyme. Structure 2009 17 965 973 3IJD Uncharacterized protein Cthe_2304 from Clostridium thermocellum binds two copies of 5-methyl-5,6,7,8-tetrahydrofolic acid 2009-08-04 2009-09-01 Bonanno, J.B.,Gilmore, M.,Bain, K.T.,Miller, S.,Ozyurt, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Uncharacterized protein Cthe_2304 from Clostridium thermocellum binds two copies of 5-methyl-5,6,7,8-tetrahydrofolic acid To be Published 0 0 0 0 3HHM 19805105 Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin 2009-05-15 2009-09-29 Mandelker, D.,Gabelli, S.B.,Schmidt-Kittler, O.,Zhu, J.,Cheong, I.,Huang, C.H.,Kinzler, K.W.,Vogelstein, B.,Amzel, L.M. A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane. Proc.Natl.Acad.Sci.USA 2009 106 16996 17001 3HIZ 19805105 Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha 2009-05-20 2009-09-29 Mandelker, D.,Gabelli, S.B.,Schmidt-Kittler, O.,Zhu, J.,Cheong, I.,Huang, C.H.,Kinzler, K.W.,Vogelstein, B.,Amzel, L.M. A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane. Proc.Natl.Acad.Sci.USA 2009 106 16996 17001 3ILR 19801541 Structure of Heparinase I from Bacteroides thetaiotaomicron in complex with tetrasaccharide product 2009-08-07 2009-09-29 Han, Y.H.,Garron, M.L.,Kim, H.Y.,Kim, W.S.,Zhang, Z.,Ryu, K.S.,Shaya, D.,Xiao, Z.,Cheong, C.,Kim, Y.S.,Linhardt, R.J.,Jeon, Y.H.,Cygler, M. Structural snapshots of heparin depolymerization by heparin lyase I. J.Biol.Chem. 2009 284 34019 34027 3IWA Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from Desulfovibrio vulgaris 2009-09-02 2009-10-06 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Iizuka, M.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from Desulfovibrio vulgaris To be Published 0 0 0 0 3G05 19801413 Crystal structure of N-terminal domain (2-550) of E.coli MnmG 2009-01-27 2009-10-20 Shi, R.,Villarroya, M.,Ruiz-Partida, R.,Li, Y.,Proteau, A.,Prado, S.,Moukadiri, I.,Benitez-Paez, A.,Lomas, R.,Wagner, J.,Matte, A.,Velazquez-Campoy, A.,Armengod, M.E.,Cygler, M. Structure-function analysis of Escherichia coli MnmG (GidA), a highly conserved tRNA-modifying enzyme. J.Bacteriol. 2009 191 7614 7619 3JTY 20737437 Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5 2009-09-14 2009-10-20 Sampathkumar, P.,Lu, F.,Zhao, X.,Li, Z.,Gilmore, J.,Bain, K.,Rutter, M.E.,Gheyi, T.,Schwinn, K.D.,Bonanno, J.B.,Pieper, U.,Fajardo, J.E.,Fiser, A.,Almo, S.C.,Swaminathan, S.,Chance, M.R.,Baker, D.,Atwell, S.,Thompson, D.A.,Emtage, J.S.,Wasserman, S.R.,Sali, A.,Sauder, J.M.,Burley, S.K. Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution. Proteins 2010 78 3056 3062 3KCS 19934036 Crystal structure of PAmCherry1 in the dark state 2009-10-21 2009-11-17 Subach, F.V.,Malashkevich, V.N.,Zencheck, W.D.,Xiao, H.,Filonov, G.S.,Almo, S.C.,Verkhusha, V.V. Photoactivation mechanism of PAmCherry based on crystal structures of the protein in the dark and fluorescent states. Proc.Natl.Acad.Sci.USA 2009 106 21097 21102 3K4W CRYSTAL STRUCTURE OF Uncharacterized Tim-Barrel Protein Bb4693 From Bordetella Bronchiseptica 2009-10-06 2009-11-24 Malashkevich, V.N.,Toro, R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. CRYSTAL STRUCTURE OF Uncharacterized Tim-Barrel Protein Bb4693 From Bordetella Bronchiseptica To be Published 0 0 0 0 3KG4 Crystal structure of an uncharacterized protein from Mannheimia succiniciproducens 2009-10-28 2009-11-24 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Lau, C.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized protein from Mannheimia succiniciproducens To be Published 0 0 0 0 3KGZ Crystal structure of a cupin 2 conserved barrel domain protein from Rhodopseudomonas palustris 2009-10-29 2009-11-24 Bonanno, J.B.,Freeman, J.,Bain, K.T.,Do, J.,Romero, R.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a cupin 2 conserved barrel domain protein from Rhodopseudomonas palustris To be Published 0 0 0 0 3KL2 Crystal structure of a putative isochorismatase from Streptomyces avermitilis 2009-11-06 2009-11-24 Bonanno, J.B.,Dickey, M.,Bain, K.T.,Chang, S.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a putative isochorismatase from Streptomyces avermitilis To be Published 0 0 0 0 3KKE Crystal structure of a LacI family transcriptional regulator from Mycobacterium smegmatis 2009-11-05 2009-12-08 Bonanno, J.B.,Rutter, M.,Bain, K.T.,Do, J.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of a LacI family transcriptional regulator from Mycobacterium smegmatis To be Published 0 0 0 0 3KQ5 Crystal structure of an uncharacterized protein from Coxiella burnetii 2009-11-17 2009-12-08 Bonanno, J.B.,Freeman, M.,Bain, K.T.,Chang, S.,Ozyurt, S.,Wasserman, S.,Sauder, J.M.,Burley, S.K.,Almo, S.C. Crystal structure of an uncharacterized protein from Coxiella burnetii To be Published 0 0 0 0 3KEP 20310066 Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae 2009-10-26 2009-12-22 Sampathkumar, P.,Ozyurt, S.A.,Do, J.,Bain, K.T.,Dickey, M.,Rodgers, L.A.,Gheyi, T.,Sali, A.,Kim, S.J.,Phillips, J.,Pieper, U.,Fernandez-Martinez, J.,Franke, J.D.,Martel, A.,Tsuruta, H.,Atwell, S.,Thompson, D.A.,Emtage, J.S.,Wasserman, S.R.,Rout, M.P.,Sauder, J.M.,Burley, S.K. Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145. Proteins 2010 78 1992 1998 3KES 20310066 Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae in the Hexagonal, P61 space group 2009-10-26 2009-12-22 Sampathkumar, P.,Ozyurt, S.A.,Do, J.,Bain, K.T.,Dickey, M.,Rodgers, L.A.,Gheyi, T.,Sali, A.,Kim, S.J.,Phillips, J.,Pieper, U.,Fernandez-Martinez, J.,Franke, J.D.,Martel, A.,Tsuruta, H.,Atwell, S.,Thompson, D.A.,Emtage, J.S.,Wasserman, S.R.,Rout, M.P.,Sauder, J.M.,Burley, S.K. Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145. Proteins 2010 78 1992 1998 3L49 CRYSTAL STRUCTURE OF ABC SUGAR TRANSPORTER SUBUNIT FROM Rhodobacter sphaeroides 2.4.1 2009-12-18 2010-01-05 Patskovsky, Y.,Ozyurt, S.,Dickey, M.,Do, J.,Wasserman, S.R.,Sauder, J.M.,Burley, S.K.,Almo, S.C. CRYSTAL STRUCTURE OF ABC SUGAR TRANSPORTER FROM Rhodobacter sphaeroides To be Published 0 0 0 0 3H9H 20064447 Human Class I MHC HLA-A2(A150P) in complex with the Tel1p peptide 2009-04-30 2010-01-12 Borbulevych, O.Y.,Piepenbrink, K.H.,Gloor, B.E.,Scott, D.R.,Sommese, R.F.,Cole, D.K.,Sewell, A.K.,Baker, B.M. T cell receptor cross-reactivity directed by antigen-dependent tuning of peptide-MHC molecular flexibility. Immunity 2009 31 885 896 3IXA 20064447 Human Class I MHC HLA-A2(A150P) in complex with the Tax peptide 2009-09-03 2010-01-12 Borbulevych, O.Y.,Piepenbrink, K.H.,Gloor, B.E.,Scott, D.R.,Sommese, R.F.,Cole, D.K.,Sewell, A.K.,Baker, B.M. T cell receptor cross-reactivity directed by antigen-dependent tuning of peptide-MHC molecular flexibility. Immunity 2009 31 885 896 3K54 20052711 Structures of human Bruton's tyrosine kinase in active and inactive conformations suggests a mechanism of activation for TEC family kinases. 2009-10-06 2010-01-19 Marcotte, D.J.,Liu, Y.T.,Arduini, R.M.,Hession, C.A.,Miatkowski, K.,Wildes, C.P.,Cullen, P.F.,Hong, V.,Hopkins, B.T.,Mertsching, E.,Jenkins, T.J.,Romanowski, M.J.,Baker, D.P.,Silvian, L.F. Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases. Protein Sci. 2010 19 429 439 3KFO 21365675 Crystal structure of the C-terminal domain from the nuclear pore complex component NUP133 from Saccharomyces cerevisiae 2009-10-27 2010-01-26 Sampathkumar, P.,Gheyi, T.,Miller, S.A.,Bain, K.T.,Dickey, M.,Bonanno, J.B.,Kim, S.J.,Phillips, J.,Pieper, U.,Fernandez-Martinez, J.,Franke, J.D.,Martel, A.,Tsuruta, H.,Atwell, S.,Thompson, D.A.,Emtage, J.S.,Wasserman, S.R.,Rout, M.P.,Sali, A.,Sauder, J.M.,Burley, S.K. Structure of the C-terminal domain of Saccharomyces cerevisiae Nup133, a component of the nuclear pore complex. Proteins 2011 79 1672 1677 3G4E 20329768 Crystal structure of human senescence marker protein-30(SMP30)(Calcium bound) 2009-02-03 2010-02-02 Chakraborti, S.,Bahnson, B.J. Crystal structure of human senescence marker protein 30: insights linking structural, enzymatic, and physiological functions . Biochemistry 2010 49 3436 3444 3G4H 20329768 Crystal structure of Human Senescence Marker Protein-30 (Zinc Bound) 2009-02-03 2010-02-02 Chakraborti, S.,Bahnson, B.J. Crystal structure of human senescence marker protein 30: insights linking structural, enzymatic, and physiological functions . 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Proc.Natl.Acad.Sci.USA 2011 108 11872 11877 3ODN 21828006 The crystal structure of Drosophila Dally-Like Protein core domain 2010-08-11 2011-07-27 Kim, M.S.,Saunders, A.M.,Hamaoka, B.Y.,Beachy, P.A.,Leahy, D.J. Structure of the protein core of the glypican Dally-like and localization of a region important for hedgehog signaling. Proc.Natl.Acad.Sci.USA 2011 108 13112 13117 3SR6 21761899 Crystal Structure of Reduced Bovine Xanthine Oxidase in Complex with Arsenite 2011-07-07 2011-07-27 Cao, H.,Hall, J.,Hille, R. X-ray Crystal Structure of Arsenite-Inhibited Xanthine Oxidase: Mu-Sulfido,Mu-Oxo Double Bridge between Molybdenum and Arsenic in the Active Site. J.Am.Chem.Soc. 2011 133 12414 12417 3R21 21798738 Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) 2011-03-11 2011-08-10 Zhang, L.,Fan, J.,Chong, J.H.,Cesena, A.,Tam, B.Y.,Gilson, C.,Boykin, C.,Wang, D.,Aivazian, D.,Marcotte, D.,Xiao, G.,Le Brazidec, J.Y.,Piao, J.,Lundgren, K.,Hong, K.,Vu, K.,Nguyen, K.,Gan, L.S.,Silvian, L.,Ling, L.,Teng, M.,Reff, M.,Takeda, N.,Timple, N.,Wang, Q.,Morena, R.,Khan, S.,Zhao, S.,Li, T.,Lee, W.C.,Taveras, A.G.,Chao, J. Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett. 2011 21 5633 5637 3R22 21798738 Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) 2011-03-11 2011-08-10 Zhang, L.,Fan, J.,Chong, J.H.,Cesena, A.,Tam, B.Y.,Gilson, C.,Boykin, C.,Wang, D.,Aivazian, D.,Marcotte, D.,Xiao, G.,Le Brazidec, J.Y.,Piao, J.,Lundgren, K.,Hong, K.,Vu, K.,Nguyen, K.,Gan, L.S.,Silvian, L.,Ling, L.,Teng, M.,Reff, M.,Takeda, N.,Timple, N.,Wang, Q.,Morena, R.,Khan, S.,Zhao, S.,Li, T.,Lee, W.C.,Taveras, A.G.,Chao, J. Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett. 2011 21 5633 5637 3S35 21827946 Structural basis for the function of two anti-VEGF receptor antibodies 2011-05-17 2011-08-24 Franklin, M.C.,Navarro, E.C.,Wang, Y.,Patel, S.,Singh, P.,Zhang, Y.,Persaud, K.,Bari, A.,Griffith, H.,Shen, L.,Balderes, P.,Kussie, P. The Structural Basis for the Function of Two Anti-VEGF Receptor 2 Antibodies. Structure 2011 19 1097 1107 3S36 21827946 Structural basis for the function of two anti-VEGF receptor antibodies 2011-05-17 2011-08-24 Franklin, M.C.,Navarro, E.C.,Wang, Y.,Patel, S.,Singh, P.,Zhang, Y.,Persaud, K.,Bari, A.,Griffith, H.,Shen, L.,Balderes, P.,Kussie, P. The Structural Basis for the Function of Two Anti-VEGF Receptor 2 Antibodies. Structure 2011 19 1097 1107 3SKJ 21867711 Structural And Functional Characterization of an Agonistic Anti-Human EphA2 Monoclonal Antibody 2011-06-22 2011-08-31 Peng, L.,Oganesyan, V.,Damschroder, M.M.,Wu, H.,Dall'Acqua, W.F. Structural and functional characterization of an agonistic anti-human EphA2 monoclonal antibody. J.Mol.Biol. 2011 413 390 405 3T6C Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg 2011-07-28 2011-08-31 Vetting, M.W.,Toro, R.,Bhosle, R.,Wasserman, S.R.,Morisco, L.L.,Hillerich, B.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Zencheck, W.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg to be published 0 0 0 0 3THU Crystal structure of an enolase from sphingomonas sp. ska58 (efi target efi-501683) with bound mg 2011-08-19 2011-09-14 Vetting, M.W.,Toro, R.,Bhosle, R.,Wasserman, S.R.,Morisco, L.L.,Hillerich, B.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Zencheck, W.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase from sphingomonas sp. ska58 (efi target efi-501683) with bound mg to be published 0 0 0 0 3TJ4 Crystal structure of an enolase from agrobacterium tumefaciens (efi target efi-502087) no mg 2011-08-23 2011-09-14 Vetting, M.W.,Bouvier, J.T.,Wasserman, S.R.,Morisco, L.L.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase from agrobacterium tumefaciens (efi target efi-502087) no mg to be published 0 0 0 0 3TJI CRYSTAL STRUCTURE OF AN ENOLASE FROM ENTEROBACTER sp. 638 (EFI TARGET EFI-501662) with BOUND MG 2011-08-24 2011-09-14 Vetting, M.W.,Toro, R.,Bhosle, R.,Wasserman, S.R.,Morisco, L.L.,Hillerich, B.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Zencheck, W.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase from enterobacter sp. 638 (efi target efi-501662) with boung mg to be published 0 0 0 0 3P7I 22019591 Crystal structure of Escherichia coli PhnD in complex with 2-aminoethyl phosphonate 2010-10-12 2011-10-12 Alicea, I.,Marvin, J.S.,Miklos, A.E.,Ellington, A.D.,Looger, L.L.,Schreiter, E.R. Structure of the Escherichia coli Phosphonate Binding Protein PhnD and Rationally Optimized Phosphonate Biosensors. J.Mol.Biol. 2011 414 356 369 3QK6 22019591 Crystal structure of Escherichia coli PhnD 2011-01-31 2011-10-12 Alicea, I.,Marvin, J.S.,Miklos, A.E.,Ellington, A.D.,Looger, L.L.,Schreiter, E.R. Structure of the Escherichia coli Phosphonate Binding Protein PhnD and Rationally Optimized Phosphonate Biosensors. J.Mol.Biol. 2011 414 356 369 3QUJ 22019591 Crystal structure of the phosphonate binding protein, PhnD, from Escherichia coli 2011-02-24 2011-10-12 Alicea, I.,Marvin, J.S.,Miklos, A.E.,Ellington, A.D.,Looger, L.L.,Schreiter, E.R. Structure of the Escherichia coli Phosphonate Binding Protein PhnD and Rationally Optimized Phosphonate Biosensors. J.Mol.Biol. 2011 414 356 369 3S4U 22019591 Crystal structure of open, unliganded E. coli PhnD H157A 2011-05-20 2011-10-12 Alicea, I.,Marvin, J.S.,Miklos, A.E.,Ellington, A.D.,Looger, L.L.,Schreiter, E.R. Structure of the Escherichia coli Phosphonate Binding Protein PhnD and Rationally Optimized Phosphonate Biosensors. J.Mol.Biol. 2011 414 356 369 3OSQ 21989929 Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 175 2010-09-09 2011-10-26 Marvin, J.S.,Schreiter, E.R.,Echevarria, I.M.,Looger, L.L. A genetically encoded, high-signal-to-noise maltose sensor. Proteins 2011 79 3025 3036 3OSR 21989929 Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 311 2010-09-09 2011-10-26 Marvin, J.S.,Schreiter, E.R.,Echevarria, I.M.,Looger, L.L. A genetically encoded, high-signal-to-noise maltose sensor. Proteins 2011 79 3025 3036 3THB 22070629 Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor 2011-08-18 2011-11-23 Duffey, M.O.,Vos, T.J.,Adams, R.,Alley, J.,Anthony, J.,Barrett, C.,Bharathan, I.,Bowman, D.,Bump, N.J.,Chau, R.,Cullis, C.,Driscoll, D.L.,Elder, A.,Forsyth, N.,Frazer, J.,Guo, J.,Guo, L.,Hyer, M.L.,Janowick, D.,Kulkarni, B.,Lai, S.J.,Lasky, K.,Li, G.,Li, J.,Liao, D.,Little, J.,Peng, B.,Qian, M.G.,Reynolds, D.J.,Rezaei, M.,Scott, M.P.,Sells, T.B.,Shinde, V.,Shi, Q.J.,Sintchak, M.D.,Soucy, F.,Sprott, K.T.,Stroud, S.G.,Nestor, M.,Visiers, I.,Weatherhead, G.,Ye, Y.,D'Amore, N. Discovery of a Potent and Orally Bioavailable Benzolactam-Derived Inhibitor of Polo-Like Kinase 1 (MLN0905). J.Med.Chem. 2012 55 197 208 3UGV Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG 2011-11-03 2011-11-23 Vetting, M.W.,Toro, R.,Bhosle, R.,Wasserman, S.R.,Morisco, L.L.,Hillerich, B.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Zencheck, W.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG to be published 0 0 0 0 3V4B Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and L-tartrate 2011-12-14 2011-12-28 Vetting, M.W.,Toro, R.,Bhosle, R.,Wasserman, S.R.,Morisco, L.L.,Sojitra, S.,Seidel, R.D.,Hillerich, B.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Obaidi, N.,Zencheck, W.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C. Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and l-tartrate to be published 0 0 0 0 3V3W Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol 2011-12-14 2012-01-11 Vetting, M.W.,Toro, R.,Bhosle, R.,Wasserman, S.R.,Morisco, L.L.,Sojitra, S.,Seidel, R.,Hillerich, B.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Zencheck, W.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C. Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol to be published 0 0 0 0 3UOV 22267661 Crystal Structure of OTEMO (FAD bound form 1) 2011-11-17 2012-02-01 Leisch, H.,Shi, R.,Grosse, S.,Morley, K.,Bergeron, H.,Cygler, M.,Iwaki, H.,Hasegawa, Y.,Lau, P.C. Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol. 2012 78 2200 2212 3UOX 22267661 Crystal Structure of OTEMO (FAD bound form 2) 2011-11-17 2012-02-01 Leisch, H.,Shi, R.,Grosse, S.,Morley, K.,Bergeron, H.,Cygler, M.,Iwaki, H.,Hasegawa, Y.,Lau, P.C. Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol. 2012 78 2200 2212 3UOY 22267661 Crystal Structure of OTEMO complex with FAD and NADP (form 1) 2011-11-17 2012-02-01 Leisch, H.,Shi, R.,Grosse, S.,Morley, K.,Bergeron, H.,Cygler, M.,Iwaki, H.,Hasegawa, Y.,Lau, P.C. Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol. 2012 78 2200 2212 3UOZ 22267661 Crystal Structure of OTEMO complex with FAD and NADP (form 2) 2011-11-17 2012-02-01 Leisch, H.,Shi, R.,Grosse, S.,Morley, K.,Bergeron, H.,Cygler, M.,Iwaki, H.,Hasegawa, Y.,Lau, P.C. Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol. 2012 78 2200 2212 3QM5 Blackfin tuna oxy-myoglobin, atomic resolution 2011-02-03 2012-02-08 de Serrano, V.S.,Rodriguez, M.M.,Schreiter, E.R. High Resolution Structures of Blackfin Tuna Myoglobin To be Published 0 0 0 0 3QM6 Blackfin tuna deoxy-myoglobin, atomic resolution 2011-02-03 2012-02-08 de Serrano, V.S.,Schreiter, E.R.,Rodriguez, M.M. High Resolution Structures of Blackfin Tuna Myoglobin To be Published 0 0 0 0 3QM7 Blackfin tuna carbonmonoxy-myoglobin, atomic resolution 2011-02-03 2012-02-08 de Serrano, V.S.,Rodriguez, M.M.,Schreiter, E.R. High Resolution Structures of Blackfin Tuna Myoglobin To be Published 0 0 0 0 3QM8 Blackfin tuna cyanomet-myoglobin, atomic resolution 2011-02-03 2012-02-08 de Serrano, V.S.,Rodriguez, M.M.,Schreiter, E.R. High Resolution Structures of Blackfin Tuna Myoglobin To be Published 0 0 0 0 3QM9 Blackfin tuna azido-myoglobin, atomic resolution 2011-02-03 2012-02-08 de Serrano, V.S.,Rodriguez, M.M.,Schreiter, E.R. High Resolution Structures of Blackfin Tuna Myoglobin To be Published 0 0 0 0 3QMA Blackfin tuna myoglobin imidazole complex, atomic resolution 2011-02-03 2012-02-08 de Serrano, V.S.,Rodriguez, M.M.,Schreiter, E.R. High Resolution Structures of Blackfin Tuna Myoglobin To be Published 0 0 0 0 4DO7 Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound zn, space group c2 2012-02-09 2012-02-29 Vetting, M.W.,Toro, R.,Bhosle, R.,Wasserman, S.R.,Morisco, L.L.,Sojitra, S.,Seidel, R.D.,Hillerich, B.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Al Obaidi, N.F.,Zencheck, W.D.,Imker, H.J.,Gerlt, J.A.,Raushel, F.M.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound zn, space group c2 to be published 0 0 0 0 4DN1 Crystal structure of an ENOLASE (mandelate racemase subgroup member) from Agrobacterium tumefaciens (target EFI-502088) with bound mg and formate 2012-02-08 2012-03-07 Vetting, M.W.,Toro, R.,Bhosle, R.,Bouvier, J.T.,Wasserman, S.R.,Morisco, L.L.,Sojitra, S.,Al Obaidi, N.F.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase (mandelate racemase subgroup member) from Agrobacterium tumefaciens (target EFI-502088) with bound mg and formate to be published 0 0 0 0 4DYE Crystal structure of an enolase (putative sugar isomerase, target efi-502095) from streptomyces coelicolor, no mg, ordered loop 2012-02-28 2012-03-14 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase (putative sugar isomerase, target efi-502095) from streptomyces coelicolor, no mg, ordered loop to be published 0 0 0 0 4DYK Crystal structure of an adenosine deaminase from pseudomonas aeruginosa pao1 (target nysgrc-200449) with bound zn 2012-02-29 2012-03-14 Vetting, M.W.,Toro, R.,Bhosle, R.,Wasserman, S.R.,Morisco, L.L.,Sojitra, S.,Chamala, S.,Kar, A.,Lafleur, J.,Villigas, G.,Evans, B.,Hammonds, J.,Gizzi, A.,Zencheck, W.D.,Hillerich, B.,Love, J.,Seidel, R.D.,Bonanno, J.B.,Raushel, F.M.,Almo, S.C.,New York Structural Genomics Research Consortium (NYSGRC) Crystal structure of an adenosine deaminase from pseudomonas aeruginosa pao1 (target nysgrc-200449) with bound zn to be published 0 0 0 0 4DZH Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn 2012-03-01 2012-03-21 Vetting, M.W.,Toro, R.,Bhosle, R.,Wasserman, S.R.,Morisco, L.L.,Sojitra, S.,Chamala, S.,Kar, A.,Lafleur, J.,Villigas, G.,Evans, B.,Hammonds, J.,Gizzi, A.,Zencheck, W.D.,Hillerich, B.,Love, J.,Seidel, R.D.,Bonanno, J.B.,Raushel, F.M.,Almo, S.C.,New York Structural Genomics Research Consortium (NYSGRC) Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn to be published 0 0 0 0 4DW8 Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I 2012-02-24 2012-03-28 Vetting, M.W.,Wasserman, S.R.,Morisco, L.L.,Sojitra, S.,Allen, K.N.,Dunaway-Mariano, D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I To be Published 0 0 0 0 4DWO Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II 2012-02-26 2012-03-28 Vetting, M.W.,Wasserman, S.R.,Morisco, L.L.,Sojitra, S.,Allen, K.N.,Dunaway-Mariano, D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Mg crystal form II To be Published 0 0 0 0 4E29 22437828 Periplasmic domain of the chimeric WzzB chain length regulator protein 2012-03-07 2012-03-28 Kalynych, S.,Yao, D.,Magee, J.,Cygler, M. Structural Characterization of Closely Related O-antigen Lipopolysaccharide (LPS) Chain Length Regulators. J.Biol.Chem. 2012 287 15696 15705 4E6P Crystal structure of a probable sorbitol dehydrogenase (Target PSI-012078) from Sinorhizobium meliloti 1021 2012-03-15 2012-04-11 Kumar, P.R.,Banu, N.,Bhosle, R.,Bonanno, J.,Chamala, S.,Chowdhury, S.,Gizzi, A.,Glen, S.,Hammonds, J.,Hillerich, B.,Love, J.D.,Matikainen, B.,Seidel, R.,Toro, R.,Zencheck, W.,Almo, S.C. Crystal structure of a probable sorbitol dehydrogenase from Sinorhizobium meliloti 1021 to be published 0 0 0 0 4DX3 Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue 2012-02-27 2012-04-18 Vetting, M.W.,Bouvier, J.T.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue to be published 0 0 0 0 4DXK Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue, na and phosphate 2012-02-27 2012-04-18 Vetting, M.W.,Bouvier, J.T.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue, na and phosphate to be published 0 0 0 0 4E69 Crystal structure of a sugar kinase (target EFI-502132) from Oceanicola granulosus, unliganded structure 2012-03-15 2012-04-18 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a sugar kinase (target EFI-502132) from Oceanicola granulosus, unliganded structure To be Published 0 0 0 0 4EBU Crystal structure of a sugar kinase (Target EFI-502312) from Oceanicola granulosus, with bound AMP/ADP crystal form I 2012-03-24 2012-04-18 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a sugar kinase (Target EFI-502312) from Oceanicola granulosus, with bound AMP/ADP crystal form I TO BE PUBLISHED 0 0 0 0 4E8G 24520058 Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound mg 2012-03-20 2012-05-02 Kumar, R.,Zhao, S.,Vetting, M.W.,Wood, B.M.,Sakai, A.,Cho, K.,Solbiati, J.,Almo, S.C.,Sweedler, J.V.,Jacobson, M.P.,Gerlt, J.A.,Cronan, J.E. Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio 2014 5 0 0 4EJM Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021 bound to NADP 2012-04-06 2012-05-02 Sampathkumar, P.,Banu, N.,Bhosle, R.,Bonanno, J.,Chamala, S.,Chowdhury, S.,Fiser, A.,Gizzi, A.,Glenn, A.S.,Hammonds, J.,Hillerich, B.,Khafizov, K.,Love, J.D.,Matikainen, B.,Patskovsky, Y.,Seidel, R.,Toro, R.,Zencheck, W.,Almo, S.C. Crystal structure of a putative zinc-binding dehydrogenase (target nysgrc-012003) from sinorhizobium meliloti 1021 bound to NADP To be Published 0 0 0 0 4ANU 22548342 Complexes of PI3Kgamma with isoform selective inhibitors. 2012-03-22 2012-05-09 Leahy, J.W.,Buhr, C.A.,Johnson, H.W.B.,Kim, B.G.,Baik, T.,Cannoy, J.,Forsyth, T.P.,Jeong, J.W.,Lee, M.S.,Ma, S.,Noson, K.,Wang, L.,Williams, M.,Nuss, J.M.,Brooks, E.,Heald, N.,Holst, C.,Jaeger, C.,Lam, S.,Lougheed, J.C.,Nguyen, L.,Plonowski, A.,Stout, T.,Foster, P.G.,Wu, X.,Yakes, M.F.,Yu, R.,Zhang, W.,Lamb, P.,Raeber, O. The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem. 2012 55 5467 0 4ANV 22548342 Complexes of PI3Kgamma with isoform selective inhibitors. 2012-03-22 2012-05-09 Leahy, J.W.,Buhr, C.A.,Johnson, H.W.B.,Kim, B.G.,Baik, T.,Cannoy, J.,Forsyth, T.P.,Jeong, J.W.,Lee, M.S.,Ma, S.,Noson, K.,Wang, L.,Williams, M.,Nuss, J.M.,Brooks, E.,Heald, N.,Holst, C.,Jaeger, C.,Lam, S.,Lougheed, J.C.,Nguyen, L.,Plonowski, A.,Stout, T.,Foster, P.G.,Wu, X.,Yakes, M.F.,Yu, R.,Zhang, W.,Lamb, P.,Raeber, O. The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem. 2012 55 5467 0 4ER3 23250418 Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 2012-04-19 2012-05-16 Yu, W.,Chory, E.J.,Wernimont, A.K.,Tempel, W.,Scopton, A.,Federation, A.,Marineau, J.J.,Qi, J.,Barsyte-Lovejoy, D.,Yi, J.,Marcellus, R.,Iacob, R.E.,Engen, J.R.,Griffin, C.,Aman, A.,Wienholds, E.,Li, F.,Pineda, J.,Estiu, G.,Shatseva, T.,Hajian, T.,Al-Awar, R.,Dick, J.E.,Vedadi, M.,Brown, P.J.,Arrowsmith, C.H.,Bradner, J.E.,Schapira, M. Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun 2012 3 1288 1288 4ER5 23250418 Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 2012-04-19 2012-05-16 Yu, W.,Chory, E.J.,Wernimont, A.K.,Tempel, W.,Scopton, A.,Federation, A.,Marineau, J.J.,Qi, J.,Barsyte-Lovejoy, D.,Yi, J.,Marcellus, R.,Iacob, R.E.,Engen, J.R.,Griffin, C.,Aman, A.,Wienholds, E.,Li, F.,Pineda, J.,Estiu, G.,Shatseva, T.,Hajian, T.,Al-Awar, R.,Dick, J.E.,Vedadi, M.,Brown, P.J.,Arrowsmith, C.H.,Bradner, J.E.,Schapira, M. Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun 2012 3 1288 1288 4ER6 23250418 Crystal structure of human DOT1L in complex with inhibitor SGC0946 2012-04-19 2012-05-16 Yu, W.,Chory, E.J.,Wernimont, A.K.,Tempel, W.,Scopton, A.,Federation, A.,Marineau, J.J.,Qi, J.,Barsyte-Lovejoy, D.,Yi, J.,Marcellus, R.,Iacob, R.E.,Engen, J.R.,Griffin, C.,Aman, A.,Wienholds, E.,Li, F.,Pineda, J.,Estiu, G.,Shatseva, T.,Hajian, T.,Al-Awar, R.,Dick, J.E.,Vedadi, M.,Brown, P.J.,Arrowsmith, C.H.,Bradner, J.E.,Schapira, M. Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun 2012 3 1288 1288 4ER7 23250418 Crystal Structure of human DOT1L in complex with inhibitor SGC0947 2012-04-19 2012-05-16 Yu, W.,Chory, E.J.,Wernimont, A.K.,Tempel, W.,Scopton, A.,Federation, A.,Marineau, J.J.,Qi, J.,Barsyte-Lovejoy, D.,Yi, J.,Marcellus, R.,Iacob, R.E.,Engen, J.R.,Griffin, C.,Aman, A.,Wienholds, E.,Li, F.,Pineda, J.,Estiu, G.,Shatseva, T.,Hajian, T.,Al-Awar, R.,Dick, J.E.,Vedadi, M.,Brown, P.J.,Arrowsmith, C.H.,Bradner, J.E.,Schapira, M. Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun 2012 3 1288 1288 4EUM Crystal structure of a sugar kinase (Target EFI-502132) from Oceanicola granulosus with bound AMP, crystal form II 2012-04-25 2012-05-16 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a sugar kinase (Target EFI-502132) from Oceanicola granulosus with bound AMP, crystal form II To be Published 0 0 0 0 4EUN Crystal structure of a sugar kinase (Target EFI-502144 from Janibacter sp. HTCC2649), unliganded structure 2012-04-25 2012-05-16 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a sugar kinase (Target EFI-502144 from Janibacter sp. HTCC2649), unliganded structure To be Published 0 0 0 0 4ETY Crystal structure of a strand-swapped dimer of Mouse Leukocyte-associated immunoglobulin-like receptor 1 (NYSGRC-006047) Extra Cellular Domain 2012-04-24 2012-06-06 Sampathkumar, P.,Ramagopal, U.A.,Bonanno, J.,Fiser, A.,Zencheck, W.,Nathenson, S.G.,Almo, S.C. Crystal structure of a strand-swapped dimer of Mouse Leukocyte-associated immunoglobulin-like receptor 1 Extra Cellular Domain to be published 0 0 0 0 3SDI 20875739 Structure of yeast 20S open-gate proteasome with Compound 20 2011-06-09 2012-06-13 Blackburn, C.,Barrett, C.,Blank, J.L.,Bruzzese, F.J.,Bump, N.,Dick, L.R.,Fleming, P.,Garcia, K.,Hales, P.,Hu, Z.,Jones, M.,Liu, J.X.,Sappal, D.S.,Sintchak, M.D.,Tsu, C.,Gigstad, K.M. Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome. Bioorg.Med.Chem.Lett. 2010 20 6581 6586 3SDK 20875739 Structure of yeast 20S open-gate proteasome with Compound 34 2011-06-09 2012-06-13 Blackburn, C.,Barrett, C.,Blank, J.L.,Bruzzese, F.J.,Bump, N.,Dick, L.R.,Fleming, P.,Garcia, K.,Hales, P.,Hu, Z.,Jones, M.,Liu, J.X.,Sappal, D.S.,Sintchak, M.D.,Tsu, C.,Gigstad, K.M. Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome. Bioorg.Med.Chem.Lett. 2010 20 6581 6586 3SG2 23035093 Crystal Structure of GCaMP2-T116V,D381Y 2011-06-14 2012-06-20 Akerboom, J.,Chen, T.W.,Wardill, T.J.,Tian, L.,Marvin, J.S.,Mutlu, S.,Calderon, N.C.,Esposti, F.,Borghuis, B.G.,Sun, X.R.,Gordus, A.,Orger, M.B.,Portugues, R.,Engert, F.,Macklin, J.J.,Filosa, A.,Aggarwal, A.,Kerr, R.A.,Takagi, R.,Kracun, S.,Shigetomi, E.,Khakh, B.S.,Baier, H.,Lagnado, L.,Wang, S.S.,Bargmann, C.I.,Kimmel, B.E.,Jayaraman, V.,Svoboda, K.,Kim, D.S.,Schreiter, E.R.,Looger, L.L. Optimization of a GCaMP calcium indicator for neural activity imaging. J.Neurosci. 2012 32 13819 13840 3SG3 23035093 Crystal Structure of GCaMP3-D380Y 2011-06-14 2012-06-20 Akerboom, J.,Chen, T.W.,Wardill, T.J.,Tian, L.,Marvin, J.S.,Mutlu, S.,Calderon, N.C.,Esposti, F.,Borghuis, B.G.,Sun, X.R.,Gordus, A.,Orger, M.B.,Portugues, R.,Engert, F.,Macklin, J.J.,Filosa, A.,Aggarwal, A.,Kerr, R.A.,Takagi, R.,Kracun, S.,Shigetomi, E.,Khakh, B.S.,Baier, H.,Lagnado, L.,Wang, S.S.,Bargmann, C.I.,Kimmel, B.E.,Jayaraman, V.,Svoboda, K.,Kim, D.S.,Schreiter, E.R.,Looger, L.L. Optimization of a GCaMP calcium indicator for neural activity imaging. J.Neurosci. 2012 32 13819 13840 3SG4 23035093 Crystal Structure of GCaMP3-D380Y, LP(linker 2) 2011-06-14 2012-06-20 Akerboom, J.,Chen, T.W.,Wardill, T.J.,Tian, L.,Marvin, J.S.,Mutlu, S.,Calderon, N.C.,Esposti, F.,Borghuis, B.G.,Sun, X.R.,Gordus, A.,Orger, M.B.,Portugues, R.,Engert, F.,Macklin, J.J.,Filosa, A.,Aggarwal, A.,Kerr, R.A.,Takagi, R.,Kracun, S.,Shigetomi, E.,Khakh, B.S.,Baier, H.,Lagnado, L.,Wang, S.S.,Bargmann, C.I.,Kimmel, B.E.,Jayaraman, V.,Svoboda, K.,Kim, D.S.,Schreiter, E.R.,Looger, L.L. Optimization of a GCaMP calcium indicator for neural activity imaging. J.Neurosci. 2012 32 13819 13840 3SG5 23035093 Crystal Structure of Dimeric GCaMP3-D380Y, QP(linker 1), LP(linker 2) 2011-06-14 2012-06-20 Akerboom, J.,Chen, T.W.,Wardill, T.J.,Tian, L.,Marvin, J.S.,Mutlu, S.,Calderon, N.C.,Esposti, F.,Borghuis, B.G.,Sun, X.R.,Gordus, A.,Orger, M.B.,Portugues, R.,Engert, F.,Macklin, J.J.,Filosa, A.,Aggarwal, A.,Kerr, R.A.,Takagi, R.,Kracun, S.,Shigetomi, E.,Khakh, B.S.,Baier, H.,Lagnado, L.,Wang, S.S.,Bargmann, C.I.,Kimmel, B.E.,Jayaraman, V.,Svoboda, K.,Kim, D.S.,Schreiter, E.R.,Looger, L.L. Optimization of a GCaMP calcium indicator for neural activity imaging. J.Neurosci. 2012 32 13819 13840 3U15 22745160 Structure of hDMX with Dimer Inducing Indolyl Hydantoin RO-2443 2011-09-29 2012-06-27 Graves, B.,Thompson, T.,Xia, M.,Janson, C.,Lukacs, C.,Deo, D.,Di Lello, P.,Fry, D.,Garvie, C.,Huang, K.S.,Gao, L.,Tovar, C.,Lovey, A.,Wanner, J.,Vassilev, L.T. Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization. Proc.Natl.Acad.Sci.USA 2012 109 11788 11793 4F4R Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop 2012-05-11 2012-06-27 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop to be published 0 0 0 0 4DHF 22607669 Structure of Aurora A mutant bound to Biogenidec cpd 15 2012-01-27 2012-07-18 Le Brazidec, J.Y.,Pasis, A.,Tam, B.,Boykin, C.,Wang, D.,Marcotte, D.J.,Claassen, G.,Chong, J.H.,Chao, J.,Fan, J.,Nguyen, K.,Silvian, L.,Ling, L.,Zhang, L.,Choi, M.,Teng, M.,Pathan, N.,Zhao, S.,Li, T.,Taveras, A. Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors. Bioorg.Med.Chem.Lett. 2012 22 4033 4037 4EM7 22814212 Crystal structure of a topoisomerase ATP inhibitor 2012-04-11 2012-08-01 Manchester, J.I.,Dussault, D.D.,Rose, J.A.,Boriack-Sjodin, P.A.,Uria-Nickelsen, M.,Ioannidis, G.,Bist, S.,Fleming, P.,Hull, K.G. Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV. Bioorg.Med.Chem.Lett. 2012 22 5150 5156 4EMV 22814212 Crystal structure of a topoisomerase ATP inhibitor 2012-04-12 2012-08-01 Manchester, J.I.,Dussault, D.D.,Rose, J.A.,Boriack-Sjodin, P.A.,Uria-Nickelsen, M.,Ioannidis, G.,Bist, S.,Fleming, P.,Hull, K.G. Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV. Bioorg.Med.Chem.Lett. 2012 22 5150 5156 4G81 Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure 2012-07-20 2012-08-15 Vetting, M.W.,Wichelecki, D.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure To be Published 0 0 0 0 4G8T Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target EFI-502312, with sodium and sulfate bound, ordered loop 2012-07-23 2012-08-15 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target efi-502312, with sodium and sulfate bound, ordered loop TO BE PUBLISHED 0 0 0 0 4G9B Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid 2012-07-23 2012-08-15 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Dunaway-Mariano, D.,Allen, K.N.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid To be Published 0 0 0 0 4G9H Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione 2012-07-23 2012-08-15 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Armstrong, R.N.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target efi-501894, with bound glutathione To be Published 0 0 0 0 4GCI Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione, monoclinic form 2012-07-30 2012-08-29 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Armstrong, R.N.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione, monoclinic form To be Published 0 0 0 0 4GF0 Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione 2012-08-02 2012-08-29 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Armstrong, R.N.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione To be Published 0 0 0 0 4GFI Crystal structure of EFI-502318, an enolase family member from Agrobacterium tumefaciens with homology to dipeptide epimerases (bound sodium, L-Ala-L-Glu with ordered loop) 2012-08-03 2012-08-29 Vetting, M.W.,Bouvier, J.T.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of EFI-502318, an enolase family member from Agrobacterium tumefaciens with homology to dipeptide epimerases (bound sodium, l-ala-l-glu with ordered loop) To be Published 0 0 0 0 4GGB 26750482 Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium tumefaciens, TARGET EFI-500704, WITH BOUND CA, DISORDERED LOOPS 2012-08-06 2012-08-29 Vetting, M.W.,Bouvier, J.T.,Gerlt, J.A.,Almo, S.C. Purification, crystallization and structural elucidation of D-galactaro-1,4-lactone cycloisomerase from Agrobacterium tumefaciens involved in pectin degradation. Acta Crystallogr.,Sect.F 2016 72 36 41 4GIR Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212) 2012-08-08 2012-08-29 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212) To be Published 0 0 0 0 4GIS crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, glycerol and dicarboxylates bound (mixed loops, space group I4122) 2012-08-08 2012-08-29 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, glycerol and dicarboxylates bound (mixed loops, space group I4122) To be Published 0 0 0 0 4GKB Crystal structure of a short chain dehydrogenase homolog (target efi-505321) from burkholderia multivorans, unliganded structure 2012-08-10 2012-08-29 Vetting, M.W.,Hobbs, M.E.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Raushel, F.M.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a short chain dehydrogenase homolog (target efi-505321) from burkholderia multivorans, unliganded structure To be Published 0 0 0 0 4GLO Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NAD 2012-08-14 2012-08-29 Vetting, M.W.,Hobbs, M.E.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Raushel, F.M.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NAD To be Published 0 0 0 0 4GGH Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221) 2012-08-06 2012-09-05 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221) To be Published 0 0 0 0 4GXW Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn 2012-09-04 2012-09-12 Vetting, M.W.,Goble, A.M.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Raushel, F.M.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn To be Published 0 0 0 0 3U0K 23459413 Crystal Structure of the genetically encoded calcium indicator RCaMP 2011-09-28 2012-10-03 Akerboom, J.,Carreras Calderon, N.,Tian, L.,Wabnig, S.,Prigge, M.,Tolo, J.,Gordus, A.,Orger, M.B.,Severi, K.E.,Macklin, J.J.,Patel, R.,Pulver, S.R.,Wardill, T.J.,Fischer, E.,Schuler, C.,Chen, T.W.,Sarkisyan, K.S.,Marvin, J.S.,Bargmann, C.I.,Kim, D.S.,Kugler, S.,Lagnado, L.,Hegemann, P.,Gottschalk, A.,Schreiter, E.R.,Looger, L.L. Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics. Front Mol Neurosci 2013 6 2 2 3U0L 23459413 Crystal structure of the engineered fluorescent protein mRuby, crystal form 1, pH 4.5 2011-09-28 2012-10-03 Akerboom, J.,Carreras Calderon, N.,Tian, L.,Wabnig, S.,Prigge, M.,Tolo, J.,Gordus, A.,Orger, M.B.,Severi, K.E.,Macklin, J.J.,Patel, R.,Pulver, S.R.,Wardill, T.J.,Fischer, E.,Schuler, C.,Chen, T.W.,Sarkisyan, K.S.,Marvin, J.S.,Bargmann, C.I.,Kim, D.S.,Kugler, S.,Lagnado, L.,Hegemann, P.,Gottschalk, A.,Schreiter, E.R.,Looger, L.L. Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics. Front Mol Neurosci 2013 6 2 2 3U0M 23459413 Crystal structure of the engineered fluorescent protein mRuby, crystal form 1, pH 8.5 2011-09-28 2012-10-03 Akerboom, J.,Carreras Calderon, N.,Tian, L.,Wabnig, S.,Prigge, M.,Tolo, J.,Gordus, A.,Orger, M.B.,Severi, K.E.,Macklin, J.J.,Patel, R.,Pulver, S.R.,Wardill, T.J.,Fischer, E.,Schuler, C.,Chen, T.W.,Sarkisyan, K.S.,Marvin, J.S.,Bargmann, C.I.,Kim, D.S.,Kugler, S.,Lagnado, L.,Hegemann, P.,Gottschalk, A.,Schreiter, E.R.,Looger, L.L. Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics. Front Mol Neurosci 2013 6 2 2 3U0N 23459413 Crystal structure of the engineered fluorescent protein mRuby, crystal form 2 2011-09-28 2012-10-03 Akerboom, J.,Carreras Calderon, N.,Tian, L.,Wabnig, S.,Prigge, M.,Tolo, J.,Gordus, A.,Orger, M.B.,Severi, K.E.,Macklin, J.J.,Patel, R.,Pulver, S.R.,Wardill, T.J.,Fischer, E.,Schuler, C.,Chen, T.W.,Sarkisyan, K.S.,Marvin, J.S.,Bargmann, C.I.,Kim, D.S.,Kugler, S.,Lagnado, L.,Hegemann, P.,Gottschalk, A.,Schreiter, E.R.,Looger, L.L. Genetically encoded calcium indicators for multi-color neural activity imaging and combination with optogenetics. Front Mol Neurosci 2013 6 2 2 4GVX Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NADP and L-fucose 2012-08-31 2012-10-03 Vetting, M.W.,Hobbs, M.E.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Raushel, F.M.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NADP and L-fucose To be Published 0 0 0 0 4H2H 24056934 Crystal structure of an enolase (mandalate racemase subgroup, target EFI-502101) from Pelagibaca bermudensis htcc2601, with bound mg and l-4-hydroxyproline betaine (betonicine) 2012-09-12 2012-10-10 Zhao, S.,Kumar, R.,Sakai, A.,Vetting, M.W.,Wood, B.M.,Brown, S.,Bonanno, J.B.,Hillerich, B.S.,Seidel, R.D.,Babbitt, P.C.,Almo, S.C.,Sweedler, J.V.,Gerlt, J.A.,Cronan, J.E.,Jacobson, M.P. Discovery of new enzymes and metabolic pathways by using structure and genome context. Nature 2013 502 698 702 4GQB 23071334 Crystal Structure of the human PRMT5:MEP50 Complex 2012-08-22 2012-10-17 Antonysamy, S.,Bonday, Z.,Campbell, R.M.,Doyle, B.,Druzina, Z.,Gheyi, T.,Han, B.,Jungheim, L.N.,Qian, Y.,Rauch, C.,Russell, M.,Sauder, J.M.,Wasserman, S.R.,Weichert, K.,Willard, F.S.,Zhang, A.,Emtage, S. Crystal structure of the human PRMT5:MEP50 complex. Proc.Natl.Acad.Sci.USA 2012 109 17960 17965 4GFD 22908966 Thymidylate kinase (TMK) from S. Aureus in complex with TK-666 2012-08-03 2012-10-24 Keating, T.A.,Newman, J.V.,Olivier, N.B.,Otterson, L.G.,Andrews, B.,Boriack-Sjodin, P.A.,Breen, J.N.,Doig, P.,Dumas, J.,Gangl, E.,Green, O.M.,Guler, S.Y.,Hentemann, M.F.,Joseph-McCarthy, D.,Kawatkar, S.,Kutschke, A.,Loch, J.T.,McKenzie, A.R.,Pradeepan, S.,Prasad, S.,Martinez-Botella, G. In Vivo Validation of Thymidylate Kinase (TMK) with a Rationally Designed, Selective Antibacterial Compound. Acs Chem.Biol. 2012 7 1866 1872 4H19 Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502087) from agrobacterium tumefaciens, with bound Mg and d-ribonohydroxamate, ordered loop 2012-09-10 2012-10-31 Vetting, M.W.,Bouvier, J.T.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502087) from agrobacterium tumefaciens, with bound Mg and d-ribonohydroxamate, ordered loop To be Published 0 0 0 0 4HI7 Crystal structure of glutathione transferase homolog from drosophilia mojavensis, TARGET EFI-501819, with bound glutathione 2012-10-11 2012-10-31 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Armstrong, R.N.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of glutathione transferase homolog from drosophilia mojavensis, TARGET EFI-501819, with bound glutathione To be Published 0 0 0 0 4HLC 23206863 Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 5 2012-10-16 2012-10-31 Martinez-Botella, G.,Loch, J.T.,Green, O.M.,Kawatkar, S.P.,Olivier, N.B.,Boriack-Sjodin, P.A.,Keating, T.A. Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK). Bioorg.Med.Chem.Lett. 2013 23 169 173 4HOJ Crystal structure of glutathione transferase homolog from Neisseria Gonorrhoeae, target EFI-501841, with bound glutathione 2012-10-22 2012-11-07 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Armstrong, R.N.,Gerlt, J.A.,Almo, S.C. Crystal structure of glutathione transferase homolog from Neisseria Gonorrhoeae, target EFI-501841, with bound glutathione To be Published 0 0 0 0 4HP8 Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from Agrobacterium Tumefaciens (target EFI-506435) with bound NADP 2012-10-23 2012-11-07 Vetting, M.W.,Bouvier, J.T.,Groninger-Poe, F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Gerlt, J.A.,Almo, S.C. Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from Agrobacterium Tumefaciens (target EFI-506435) with bound NADP To be Published 0 0 0 0 4HPN 26750482 Crystal structure of a proposed galactarolactone cycloisomerase from Agrobacterium Tumefaciens, target EFI-500704, with bound Ca, ordered loops 2012-10-24 2012-11-07 Vetting, M.W.,Bouvier, J.T.,Gerlt, J.A.,Almo, S.C. Purification, crystallization and structural elucidation of D-galactaro-1,4-lactone cycloisomerase from Agrobacterium tumefaciens involved in pectin degradation. Acta Crystallogr F Struct Biol 2016 72 36 41 4IBO Crystal structure of a putative gluconate dehydrogenase from agrobacterium tumefaciens (target EFI-506446) 2012-12-09 2012-12-26 Vetting, M.W.,Bouvier, J.T.,Groninger-Poe, F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a putative gluconate dehydrogenase from agrobacterium tumefaciens (target EFI-506446) To be Published 0 0 0 0 4IBP Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione 2012-12-09 2012-12-26 Vetting, M.W.,Sauder, J.M.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Burley, S.K.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target IFI-900011, with bound glutathione To be Published 0 0 0 0 4ID0 Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione sulfinic acid (gso2h) and acetate 2012-12-11 2012-12-26 Vetting, M.W.,Sauder, J.M.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Burley, S.K.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione sulfinic acid (gso2h) and acetate To be Published 0 0 0 0 4ID9 Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1 2012-12-12 2012-12-26 Vetting, M.W.,Groninger-Poe, F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1 To be Published 0 0 0 0 4IDG Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound NAD, monoclinic form 2 2012-12-12 2012-12-26 Vetting, M.W.,Groninger-Poe, F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound NAD, monoclinic form 2 To be Published 0 0 0 0 4IEL Crystal structure of a glutathione s-transferase family protein from burkholderia ambifaria, target efi-507141, with bound glutathione 2012-12-13 2012-12-26 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Armstrong, R.N.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione s-transferase family protein from burkholderia ambifaria, target efi-507141, with bound glutathione To be Published 0 0 0 0 4IKH Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound 2012-12-26 2013-01-16 Vetting, M.W.,Sauder, J.M.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Burley, S.K.,Armstrong, R.N.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens pf-5, target efi-900003, with two glutathione bound To be Published 0 0 0 0 4IMR Crystal structure of 3-oxoacyl (acyl-carrier-protein) reductase (target EFI-506442) from agrobacterium tumefaciens C58 with NADP bound 2013-01-03 2013-01-16 Patskovsky, Y.,Toro, R.,Bhosle, R.,Hillerich, B.,Seidel, R.D.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Zencheck, W.D.,Imker, H.J.,Al Obaidi, N.F.,Stead, M.,Love, J.,Gerlt, J.A.,Almo, S.C. Crystal Structure of 3-Oxoacyl (Acyl-Carrier-Protein) Reductase Atu5465 from Agrobacterium Tumefaciens To be Published 0 0 0 0 4I5I 23311358 Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog 2012-11-28 2013-01-23 Zhao, X.,Allison, D.,Condon, B.,Zhang, F.,Gheyi, T.,Zhang, A.,Ashok, S.,Russell, M.,MacEwan, I.,Qian, Y.,Jamison, J.A.,Luz, J.G. The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition. J.Med.Chem. 2013 56 963 969 4IQ1 Crystal structure of glutathione s-transferase MHA_0454 (TARGET EFI-507015) FROM Mannheimia haemolytica, SUBSTRATE-FREE 2013-01-10 2013-01-23 Patskovsky, Y.,Toro, R.,Bhosle, R.,Hillerich, B.,Seidel, R.D.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Zencheck, W.D.,Imker, H.J.,AL Obaidi, N.F.,Stead, M.,Love, J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of probable glutathione s-transferase MHA_0454 (TARGET EFI-507015) FROM Mannheimia haemolytica, Substrate-free To be Published 0 0 0 0 4FYO 23151054 Crystal structure of spleen tyrosine kinase complexed with N-{(S)-1-[7-(3,4-Dimethoxy-phenylamino)-thiazolo[5,4-d]pyrimidin-5-yl]-pyrrolidin-3-yl}-terephthalamic acid 2012-07-05 2013-01-30 Lucas, M.C.,Goldstein, D.M.,Hermann, J.C.,Kuglstatter, A.,Liu, W.,Luk, K.C.,Padilla, F.,Slade, M.,Villasenor, A.G.,Wanner, J.,Xie, W.,Zhang, X.,Liao, C. Rational design of highly selective spleen tyrosine kinase inhibitors. J.Med.Chem. 2012 55 10414 10423 4FZ6 23151054 Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine 2012-07-06 2013-01-30 Lucas, M.C.,Goldstein, D.M.,Hermann, J.C.,Kuglstatter, A.,Liu, W.,Luk, K.C.,Padilla, F.,Slade, M.,Villasenor, A.G.,Wanner, J.,Xie, W.,Zhang, X.,Liao, C. Rational design of highly selective spleen tyrosine kinase inhibitors. J.Med.Chem. 2012 55 10414 10423 4IX1 Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205 2013-01-24 2013-02-06 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Zenchek, W.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205 To be Published 0 0 0 0 4ISD Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione 2013-01-16 2013-02-13 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Armstrong, R.N.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione TO BE PUBLISHED 0 0 0 0 4IVF Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit 2013-01-22 2013-02-13 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Armstrong, R.N.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit To be Published 0 0 0 0 4IZG 24520058 Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound cis-4oh-d-proline betaine (product) 2013-01-29 2013-02-13 Kumar, R.,Zhao, S.,Vetting, M.W.,Wood, B.M.,Sakai, A.,Cho, K.,Solbiati, J.,Almo, S.C.,Sweedler, J.V.,Jacobson, M.P.,Gerlt, J.A.,Cronan, J.E. Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio 2014 5 0 0 4IJI Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione 2012-12-21 2013-02-20 Vetting, M.W.,Sauder, J.M.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Imker, H.J.,Burley, S.K.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione To be Published 0 0 0 0 4J1O 24520058 Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound l-proline betaine (substrate) 2013-02-01 2013-03-06 Kumar, R.,Zhao, S.,Vetting, M.W.,Wood, B.M.,Sakai, A.,Cho, K.,Solbiati, J.,Almo, S.C.,Sweedler, J.V.,Jacobson, M.P.,Gerlt, J.A.,Cronan, J.E. Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio 2014 5 0 0 4JD7 Crystal structure of pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group P212121, bound sulfate 2013-02-24 2013-03-06 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C. Crystal structure of pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group P212121, bound sulfate To be Published 0 0 0 0 4J9W Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with the inhibitor pyrrole-2-carboxylate 2013-02-17 2013-03-13 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with the inhibitor pyrrole-2-carboxylate To be Published 0 0 0 0 4J9X Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with trans-4-hydroxy-l-proline 2013-02-17 2013-03-13 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with trans-4-hydroxy-l-proline To be Published 0 0 0 0 4JBD Crystal structure of Pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group I2, bound citrate 2013-02-19 2013-03-13 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C. Crystal structure of pput_1285, a putative hydroxyproline epimerase from pseudomonas putida f1 (target efi-506500), open form, space group i2, bound citrate To be Published 0 0 0 0 4JCI Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), SPACE GROUP P212121, unliganded 2013-02-21 2013-03-13 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), space group P212121, unliganded To be Published 0 0 0 0 4JN7 CRYSTAL STRUCTURE OF AN ENOLASE (PUTATIVE GALACTARATE DEHYDRATASE, TARGET EFI-500740) FROM AGROBACTERIUM RADIOBACTER, BOUND NA and L-MALATE, ORDERED ACTIVE SITE 2013-03-14 2013-04-03 Vetting, M.W.,Groninger-Poe, F.,Bouvier, J.T.,Wichelecki, D.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF AN ENOLASE (PUTATIVE GALACTARATE DEHYDRATASE, TARGET EFI-500740) FROM AGROBACTERIUM RADIOBACTER, BOUND NA and L-MALATE, ORDERED ACTIVE SITE To be Published 0 0 0 0 4JN8 Crystal structure of an enolase (putative galactarate dehydratase, target efi-500740) from agrobacterium radiobacter, bound sulfate, no metal ion, ordered active site 2013-03-14 2013-04-03 Vetting, M.W.,Groninger-Poe, F.,Bouvier, J.T.,Wichelecki, D.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an enolase (putative galactarate dehydratase, target efi-500740) from agrobacterium radiobacter, bound sulfate, no metal ion, ordered active site To be Published 0 0 0 0 4JOS Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335) 2013-03-18 2013-04-03 Sampathkumar, P.,Gizzi, A.,Ahmed, M.,Banu, N.,Bhosle, R.,Bonanno, J.,Chamala, S.,Chowdhury, S.,Fiser, A.,Glenn, A.S.,Hammonds, J.,Hillerich, B.,Khafizov, K.,Lafleur, J.,Morisco, L.L.,Sojitra, S.S.,Wasserman, S.R.,Haapalainen, A.,Love, J.D.,Stead, M.,Seidel, R.,Toro, R.,Schramm, V.L.,Almo, S.C. Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335) to be published 0 0 0 0 4EEV 23275061 Crystal structure of c-Met in complex with LY2801653 2012-03-28 2013-04-10 Yan, S.B.,Peek, V.L.,Ajamie, R.,Buchanan, S.G.,Graff, J.R.,Heidler, S.A.,Hui, Y.H.,Huss, K.L.,Konicek, B.W.,Manro, J.R.,Shih, C.,Stewart, J.A.,Stewart, T.R.,Stout, S.L.,Uhlik, M.T.,Um, S.L.,Wang, Y.,Wu, W.,Yan, L.,Yang, W.J.,Zhong, B.,Walgren, R.A. LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models. Invest New Drugs 2013 31 833 844 4JUU Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand 2013-03-25 2013-04-17 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a putative hydroxyproline epimerase from xanthomonas campestris (TARGET EFI-506516) with bound phosphate and unknown ligand To be Published 0 0 0 0 4K7G Crystal structure of a 3-hydroxyproline dehydratse from agrobacterium vitis, target efi-506470, with bound pyrrole 2-carboxylate, ordered active site 2013-04-17 2013-05-01 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a 3-hydroxyproline dehydratse from agrobacterium vitis, target efi-506470, with bound pyrrole 2-carboxylate, ordered active site To be Published 0 0 0 0 4K7X Crystal structure of a 4-hydroxyproline epimerase from burkholderia multivorans, target efi-506479, with bound phosphate, closed domains 2013-04-17 2013-05-01 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a 4-hydroxyproline epimerase from burkholderia multivorans, target efi-506479, with bound phosphate, closed domains To be Published 0 0 0 0 4K8L Crystal structure of a putative 4-hydroxyproline epimerase/3-hydroxyproline dehydratse from the soil bacterium ochrobacterium anthropi, target efi-506495, disordered loops 2013-04-18 2013-05-01 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glen, A.,Chowdhury, S.,Evens, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a putative 4-hydroxyproline epimerase/3-hydroxyproline dehydratse from the soil bacterium ochrobacterium anthropi, target efi-506495, disordered loops To be Published 0 0 0 0 4KAE Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, TARGET EFI-507175, with bound dicarboxyethyl glutathione and citrate in the active site 2013-04-22 2013-05-01 Kim, J.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Stead, M.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, TARGET EFI-507175, with bound dicarboxyethyl glutathione and citrate in the active site To be Published 0 0 0 0 4JRQ 23609540 Crystal structure of E. coli Exonuclease I in complex with a 5cy-dA13 oligonucleotide 2013-03-21 2013-05-08 Korada, S.K.,Johns, T.D.,Smith, C.E.,Jones, N.D.,McCabe, K.A.,Bell, C.E. Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion. Nucleic Acids Res. 2013 41 5887 5897 4JS4 23609540 Crystal structure of E. coli Exonuclease I in complex with a dA16 oligonucleotide 2013-03-22 2013-05-08 Korada, S.K.,Johns, T.D.,Smith, C.E.,Jones, N.D.,McCabe, K.A.,Bell, C.E. Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion. Nucleic Acids Res. 2013 41 5887 5897 4JS5 23609540 Crystal structure of E. coli Exonuclease I in complex with a dT13 oligonucleotide 2013-03-22 2013-05-08 Korada, S.K.,Johns, T.D.,Smith, C.E.,Jones, N.D.,McCabe, K.A.,Bell, C.E. Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion. Nucleic Acids Res. 2013 41 5887 5897 4KDU Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, ordered domains, space group P21, form(1) 2013-04-25 2013-05-08 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, ordered domains, space group P21, form(1) To be Published 0 0 0 0 4KDX Crystal structure of a glutathione transferase family member from burkholderia graminis, target efi-507264, bound gsh, ordered domains, space group p21, form(1) 2013-04-25 2013-05-08 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from burkholderia graminis, target efi-507264, bound gsh, ordered domains, space group P21, form(1) To be Published 0 0 0 0 4KDY Crystal structure of maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, Target EFI-507175, with bound GSH in the active site 2013-04-25 2013-05-08 Kim, J.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Stead, M.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, Target EFI-507175, with bound GSH in the active site To be Published 0 0 0 0 4KE3 Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, disordered domains, space group P21, form(2) 2013-04-25 2013-05-08 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, disordered domains, space group P21, form(2) To be Published 0 0 0 0 4IN4 23647822 Crystal structure of cpd 15 bound to Keap1 Kelch domain 2013-01-03 2013-05-15 Marcotte, D.,Zeng, W.,Hus, J.C.,McKenzie, A.,Hession, C.,Jin, P.,Bergeron, C.,Lugovskoy, A.,Enyedy, I.,Cuervo, H.,Wang, D.,Atmanene, C.,Roecklin, D.,Vecchi, M.,Vivat, V.,Kraemer, J.,Winkler, D.,Hong, V.,Chao, J.,Lukashev, M.,Silvian, L. Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism. Bioorg.Med.Chem. 2013 21 4011 4019 4IQK 23647822 Crystal structure of cpd 16 bound to Keap1 Kelch domain 2013-01-11 2013-05-15 Marcotte, D.,Zeng, W.,Hus, J.C.,McKenzie, A.,Hession, C.,Jin, P.,Bergeron, C.,Lugovskoy, A.,Enyedy, I.,Cuervo, H.,Wang, D.,Atmanene, C.,Roecklin, D.,Vecchi, M.,Vivat, V.,Kraemer, J.,Winkler, D.,Hong, V.,Chao, J.,Lukashev, M.,Silvian, L. Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism. Bioorg.Med.Chem. 2013 21 4011 4019 4KEM Crystal structure of a tartrate dehydratase from azospirillum, target efi-502395, with bound mg and a putative acrylate ion, ordered active site 2013-04-25 2013-05-15 Vetting, M.W.,Wichelecki, D.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a tartrate dehydratase from azospirillum, target efi-502395, with bound mg and a putative acrylate ion, ordered active site To be Published 0 0 0 0 4KKM Crystal structure of a FPP/GFPP synthase (Target EFI-501952) from Zymomonas mobilis, apo structure 2013-05-06 2013-05-15 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Poulter, C.D.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a FPP/GFPP synthase (Target EFI-501952) from Zymomonas mobilis, apo structure To be Published 0 0 0 0 4KF9 Crystal structure of a glutathione transferase family member from ralstonia solanacearum, target efi-501780, with bound gsh coordinated to a zinc ion, ordered active site 2013-04-26 2013-05-22 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from ralstonia solanacearum, target efi-501780, with bound gsh coordinated to a zinc ion, ordered active site To be Published 0 0 0 0 4KNP Crystal Structure Of a Putative enoyl-coA hydratase (PSI-NYSGRC-019597) from Mycobacterium avium paratuberculosis K-10 2013-05-10 2013-05-22 Kumar, P.R.,Hillerich, B.,Love, J.,Seidel, R.,Almo, S.C. Crystal structure of a Putative enoyl-coA hydratase from Mycobacterium avium paratuberculosis K-10 to be published 0 0 0 0 4E73 24900545 Crystal structure of JNK1beta-JIP in complex with an azaquinolone inhbitor 2012-03-16 2013-05-29 Haynes, N.E.,Scott, N.R.,Chen, L.C.,Janson, C.A.,Li, J.K.,Lukacs, C.M.,Railkar, A.,Tozzo, E.,Whittard, T.,Brown, N.F.,Cheung, A.W. Identification of an Adamantyl Azaquinolone JNK Selective Inhibitor. ACS Med Chem Lett 2012 3 764 768 4KN5 Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342 ) 2013-05-08 2013-05-29 Sampathkumar, P.,Ahmed, M.,Attonito, J.,Bhosle, R.,Bonanno, J.,Chamala, S.,Chowdhury, S.,Eromenok, G.,Fiser, A.,Glenn, A.S.,Hammonds, J.,Hillerich, B.,Himmel, D.M.,Khafizov, K.,Lafleur, J.,Love, J.D.,Stead, M.,Seidel, R.,Toro, R.,Morisco, L.L.,Sojitra, S.S.,Wasserman, S.R.,Haapalainen, A.,Suarez, J.,Schramm, V.L.,Almo, S.C. Crystal structure of a putative methylthioadenosine nucleosidase from Weissella paramesenteroides ATCC 33313 (Target NYSGRC-029342) to be published 0 0 0 0 4KGI Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-his-tag linker in active site 2013-04-29 2013-06-19 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-His-tag linker in active site To be published 0 0 0 0 4KH7 Crystal structure of a glutathione transferase family member from salmonella enterica ty2, target efi-507262, with bound glutathione 2013-04-30 2013-06-19 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from Salmonella enterica ty2, target efi-507262, with bound glutathione To be published 0 0 0 0 4KK2 Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformiS (1-72:GI751454468,73-346:GI75233326), apo structure 2013-05-05 2013-06-19 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Poulter, C.D.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformis (1-72:GI751454468,73-346:GI75233326), apo structure To be Published 0 0 0 0 4KTO Crystal Structure Of a Putative Isovaleryl-CoA dehydrogenase (PSI-NYSGRC-012251) from Sinorhizobium meliloti 1021 2013-05-20 2013-06-19 Kumar, P.R.,Hillerich, B.,Love, J.,Seidel, R.,Almo, S.C. Crystal structure of a Putative Isovaleryl-CoA dehydrogenase from Sinorhizobium meliloti 1021 to be published 0 0 0 0 4L8E Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit 2013-06-17 2013-06-26 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit To be published 0 0 0 0 4KE1 23769639 Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 19 2013-04-25 2013-07-03 Pennington, L.D.,Whittington, D.A.,Bartberger, M.D.,Jordan, S.R.,Monenschein, H.,Nguyen, T.T.,Yang, B.H.,Xue, Q.M.,Vounatsos, F.,Wahl, R.C.,Chen, K.,Wood, S.,Citron, M.,Patel, V.F.,Hitchcock, S.A.,Zhong, W. Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. Bioorg.Med.Chem.Lett. 2013 23 4459 4464 4LDN Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521) 2013-06-24 2013-07-03 Sampathkumar, P.,Ahmed, M.,Attonito, J.,Bhosle, R.,Bonanno, J.,Chamala, S.,Chowdhury, S.,Eromenok, G.,Fiser, A.,Glenn, A.S.,Hammonds, J.,Himmel, D.M.,Hillerich, B.,Khafizov, K.,Lafleur, J.,Love, J.D.,Stead, M.,Seidel, R.,Toro, R.,Morisco, L.L.,Sojitra, S.S.,Wasserman, S.R.,Suarez, J.,Schramm, V.L.,Almo, S.C. Crystal structure of a putative purine nucleoside phosphorylase from Vibrio fischeri ES114 (Target NYSGRC-029521) to be published 0 0 0 0 4FZ7 24520947 Crystal structure of spleen tyrosine kinase complexed with 6-((1R,2S)-2-Amino-cyclohexylamino)-4-(6-ethyl-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide 2012-07-06 2013-07-10 Lucas, M.C.,Bhagirath, N.,Chiao, E.,Goldstein, D.M.,Hermann, J.C.,Hsu, P.Y.,Kirchner, S.,Kennedy-Smith, J.J.,Kuglstatter, A.,Lukacs, C.,Menke, J.,Niu, L.,Padilla, F.,Peng, Y.,Polonchuk, L.,Railkar, A.,Slade, M.,Soth, M.,Xu, D.,Yadava, P.,Yee, C.,Zhou, M.,Liao, C. Using ovality to predict nonmutagenic, orally efficacious pyridazine amides as cell specific spleen tyrosine kinase inhibitors. J. Med. Chem. 2014 57 2683 2691 4LB0 Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline 2013-06-20 2013-07-17 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Glenn, A.S.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline To be Published 0 0 0 0 4JRG 23808545 The 1.9A crystal structure of humanized Xenopus MDM2 with RO5313109 - a pyrrolidine MDM2 inhibitor 2013-03-21 2013-07-24 Ding, Q.,Zhang, Z.,Liu, J.J.,Jiang, N.,Zhang, J.,Ross, T.M.,Chu, X.J.,Bartkovitz, D.,Podlaski, F.,Janson, C.,Tovar, C.,Filipovic, Z.M.,Higgins, B.,Glenn, K.,Packman, K.,Vassilev, L.T.,Graves, B. Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development. J.Med.Chem. 2013 56 5979 5983 4KY1 23816785 humanized HP1/2 Fab 2013-05-28 2013-07-24 Hanf, K.J.,Arndt, J.W.,Chen, L.L.,Jarpe, M.,Boriack-Sjodin, P.A.,Li, Y.,van Vlijmen, H.W.,Pepinsky, R.B.,Simon, K.J.,Lugovskoy, A. Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework. METHODS (SAN DIEGO) 2014 65 68 76 4LLS Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with IPP, GSPP, and calcium bound in active site 2013-07-09 2013-07-24 Kim, J.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Stead, M.,Gerlt, J.A.,Almo, S.C. Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with IPP, GSPP and calcium bound in active site To be Published 0 0 0 0 4LLT Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site 2013-07-09 2013-07-24 Kim, J.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Stead, M.,Gerlt, J.A.,Almo, S.C. Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site To be Published 0 0 0 0 4LOB Crystal structure of polyprenyl diphosphate synthase A1S_2732 (Target EFI-509223) from Acinetobacter baumannii 2013-07-12 2013-07-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Hillerich, B.,Seidel, R.D.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Imker, H.J.,Al Obaidi, N.,Stead, M.,Love, J.,Poulter, C.D.,Gerlt, J.A.,Almo, S.C. Crystal structure of polyprenyl diphosphate synthase from Acinetobacter baumannii To be Published 0 0 0 0 4HFQ 23691178 Crystal structure of UDP-X diphosphatase 2012-10-05 2013-08-07 Duong-Ly, K.C.,Woo, H.N.,Dunn, C.A.,Xu, W.,Babic, A.,Bessman, M.J.,Amzel, L.M.,Gabelli, S.B. A UDP-X diphosphatase from Streptococcus pneumoniae hydrolyzes precursors of peptidoglycan biosynthesis. Plos One 2013 8 0 0 4L0M Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 ) 2013-05-31 2013-08-14 Sampathkumar, P.,Ahmed, M.,Attonito, J.,Bhosle, R.,Bonanno, J.,Chamala, S.,Chowdhury, S.,Eromenok, G.,Fiser, A.,Glenn, A.S.,Hammonds, J.,Himmel, D.M.,Hillerich, B.,Khafizov, K.,Lafleur, J.,Love, J.D.,Stead, M.,Seidel, R.,Toro, R.,Morisco, L.L.,Sojitra, S.S.,Wasserman, S.R.,Haapalainen, A.,Suarez, J.,Schramm, V.L.,Almo, S.C. Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Borrelia burgdorferi B31 bound to Adenine (Target NYSGRC-029268 ) to be published 0 0 0 0 4LN5 25540822 Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion 2013-07-11 2013-08-14 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4LYY Crystal structure of hypoxanthine phosphoribosyltransferase from Shewanella pealeana ATCC 700345, NYSGRC Target 029677. 2013-07-31 2013-08-14 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of hypoxanthine phosphoribosyltransferase from Shewanella pealeana ATCC 700345, NYSGRC Target 029677. To be Published 0 0 0 0 4LZA Crystal structure of adenine phosphoribosyltransferase from Thermoanaerobacter pseudethanolicus ATCC 33223, NYSGRC Target 029700. 2013-07-31 2013-08-14 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of adenine phosphoribosyltransferase from Thermoanaerobacter pseudethanolicus ATCC 33223, NYSGRC Target 029700. To be Published 0 0 0 0 4M0K Crystal structure of adenine phosphoribosyltransferase from Rhodothermus marinus DSM 4252, NYSGRC Target 029775. 2013-08-01 2013-08-14 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of adenine phosphoribosyltransferase from Rhodothermus marinus DSM 4252, NYSGRC Target 029775. To be Published 0 0 0 0 4M1E Crystal structure of purine nucleoside phosphorylase I from Planctomyces limnophilus DSM 3776, NYSGRC Target 029364. 2013-08-02 2013-08-21 Malashkevich, V.N.,Bonanno, J.B.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Almo, S.C. Crystal structure of purine nucleoside phosphorylase I from Planctomyces limnophilus DSM 3776, NYSGRC Target 029364. To be Published 0 0 0 0 4M1Q Crystal structure of L-lactate dehydrogenase from Bacillus selenitireducens MLS10, NYSGRC Target 029814. 2013-08-03 2013-08-21 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of L-lactate dehydrogenase from Bacillus selenitireducens MLS10, NYSGRC Target 029814. To be Published 0 0 0 0 4M3N Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279, NYSGRC Target 029804. 2013-08-06 2013-08-28 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279, NYSGRC Target 029804. To be Published 0 0 0 0 4M7W Crystal structure of purine nucleoside phosphorylase from Leptotrichia buccalis C-1013-b, NYSGRC Target 029767. 2013-08-12 2013-08-28 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of purine nucleoside phosphorylase from Leptotrichia buccalis C-1013-b, NYSGRC Target 029767. To be Published 0 0 0 0 4MCC 23981144 HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE 2013-08-21 2013-09-04 Hill, P.J.,Abibi, A.,Albert, R.,Andrews, B.,Gagnon, M.M.,Gao, N.,Grebe, T.,Hajec, L.I.,Huang, J.,Livchak, S.,Lahiri, S.D.,McKinney, D.C.,Thresher, J.,Wang, H.,Olivier, N.,Buurman, E.T. Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem. 2013 56 7278 7288 4MCH Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with 6-hydroxy-1-naphthoic acid, NYSGRC Target 029520. 2013-08-21 2013-09-04 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with 6-hydroxy-1-naphthoic acid, NYSGRC Target 029520. To be Published 0 0 0 0 4MCI Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520. 2013-08-21 2013-09-04 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of uridine phosphorylase from vibrio fischeri es114 complexed with DMSO, NYSGRC Target 029520. To be Published 0 0 0 0 4MCO 25540822 Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), target EFI-510211, with bound malonate 2013-08-21 2013-09-04 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4MF5 Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound 2013-08-27 2013-09-04 Patskovsky, Y.,Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C. Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound To be Published 0 0 0 0 4MF6 Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with two glutathione molecules bound per one protein subunit 2013-08-27 2013-09-04 Patskovsky, Y.,Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C. Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with two glutathione molecules bound per one protein subunit To be Published 0 0 0 0 4MF7 Crystal structure of glutathione transferase BBTA-3750 from Bradyrhizobium sp., Target EFI-507290 2013-08-27 2013-09-04 Patskovsky, Y.,Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C. Crystal structure of glutathione transferase BBTA-3750 from Bradyrhizobium sp., Target EFI-507290 To be Published 0 0 0 0 4MIJ 25540822 Crystal structure of a Trap periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Galacturonate, space group P21 2013-08-31 2013-09-18 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4MK3 Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h) 2013-09-04 2013-09-18 Toro, R.,Bhosle, R.,Vetting, M.W.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C. Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h) To be published 0 0 0 0 4MCD 23981144 hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE 2013-08-21 2013-09-25 Hill, P.J.,Abibi, A.,Albert, R.,Andrews, B.,Gagnon, M.M.,Gao, N.,Grebe, T.,Hajec, L.I.,Huang, J.,Livchak, S.,Lahiri, S.D.,McKinney, D.C.,Thresher, J.,Wang, H.,Olivier, N.,Buurman, E.T. Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem. 2013 56 7278 7288 4MNC 25540822 Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P21 2013-09-10 2013-09-25 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4MNI 25540822 Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522 2013-09-10 2013-09-25 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4MAR Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279 complexed with sulfate. 2013-08-16 2013-10-09 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Khafizov, K.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of purine nucleoside phosphorylase from Meiothermus ruber DSM 1279 complexed with sulfate. To be Published 0 0 0 0 4MP4 Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure 2013-09-12 2013-10-09 Vetting, M.W.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C. Crystal structure of a glutathione transferase family member from Acinetobacter baumannii, Target EFI-501785, apo structure To be Published 0 0 0 0 4MGG Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121 2013-08-28 2013-10-16 Vetting, M.W.,Zhang, X.,Wasserman, S.R.,Morisco, L.L.,Sojitra, S.,Bonanno, J.B.,Gerlt, J.A.,Almo, S.C.,New York Structural Genomics Research Consortium (NYSGRC) Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121 To be Published 0 0 0 0 4MX6 25540822 Crystal structure of a trap periplasmic solute binding protein from shewanella oneidensis (SO_3134), target EFI-510275, with bound succinate 2013-09-25 2013-10-16 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4N0V Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332 2013-10-02 2013-10-16 Kim, J.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Zhao, S.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Stead, M.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332 TO BE PUBLISHED 0 0 0 0 4MZY Crystal structure of enterococcus faecalis nicotinate phosphoribosyltransferase with malonate and phosphate bound 2013-09-30 2013-10-23 Patskovsky, Y.,Toro, R.,Wasserman, S.R.,Burley, S.K.,Almo, S.C. Crystal Structure of Enterococcus Faecalis Nicotinate Phosphoribosyltransferase To be Published 0 0 0 0 4HYS 23352510 Crystal structure of JNK1 in complex with JIP1 peptide and 4-(4-Indazol-1-yl-pyrimidin-2-ylamino)-cyclohexan 2012-11-14 2013-10-30 Palmer, W.S.,Alam, M.,Arzeno, H.B.,Chang, K.C.,Dunn, J.P.,Goldstein, D.M.,Gong, L.,Goyal, B.,Hermann, J.C.,Hogg, J.H.,Hsieh, G.,Jahangir, A.,Janson, C.,Jin, S.,Ursula Kammlott, R.,Kuglstatter, A.,Lukacs, C.,Michoud, C.,Niu, L.,Reuter, D.C.,Shao, A.,Silva, T.,Trejo-Martin, T.A.,Stein, K.,Tan, Y.C.,Tivitmahaisoon, P.,Tran, P.,Wagner, P.,Weller, P.,Wu, S.Y. Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead. Bioorg.Med.Chem.Lett. 2013 23 1486 1492 4I0S 23350847 Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide 2012-11-19 2013-10-30 Padilla, F.,Bhagirath, N.,Chen, S.,Chiao, E.,Goldstein, D.M.,Hermann, J.C.,Hsu, J.,Kennedy-Smith, J.J.,Kuglstatter, A.,Liao, C.,Liu, W.,Lowrie, L.E.,Luk, K.C.,Lynch, S.M.,Menke, J.,Niu, L.,Owens, T.D.,O-Yang, C.,Railkar, A.,Schoenfeld, R.C.,Slade, M.,Steiner, S.,Tan, Y.C.,Villasenor, A.G.,Wang, C.,Wanner, J.,Xie, W.,Xu, D.,Zhang, X.,Zhou, M.,Lucas, M.C. Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J.Med.Chem. 2013 56 1677 1692 4I0T 23350847 Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide 2012-11-19 2013-10-30 Padilla, F.,Bhagirath, N.,Chen, S.,Chiao, E.,Goldstein, D.M.,Hermann, J.C.,Hsu, J.,Kennedy-Smith, J.J.,Kuglstatter, A.,Liao, C.,Liu, W.,Lowrie, L.E.,Luk, K.C.,Lynch, S.M.,Menke, J.,Niu, L.,Owens, T.D.,O-Yang, C.,Railkar, A.,Schoenfeld, R.C.,Slade, M.,Steiner, S.,Tan, Y.C.,Villasenor, A.G.,Wang, C.,Wanner, J.,Xie, W.,Xu, D.,Zhang, X.,Zhou, M.,Lucas, M.C. Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J.Med.Chem. 2013 56 1677 1692 4LPB 24098982 Crystal structure of a topoisomerase ATPase inhibitor 2013-07-15 2013-10-30 Basarab, G.S.,Manchester, J.I.,Bist, S.,Boriack-Sjodin, P.A.,Dangel, B.,Illingworth, R.,Sherer, B.A.,Sriram, S.,Uria-Nickelsen, M.,Eakin, A.E. Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents. J.Med.Chem. 2013 56 8712 8735 4N8G 25540822 Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0660), Target EFI-501075, with bound D-alanine-D-alanine 2013-10-17 2013-10-30 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4NAV Crystal structure of hypothetical protein XCC2798 from Xanthomonas campestris, Target EFI-508608 2013-10-22 2013-11-06 Kim, J.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Zhao, S.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Stead, M.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of hypothetical protein XCC2798 from Xanthomonas campestris, Target EFI-508608 TO BE PUBLISHED 0 0 0 0 4LP0 24098982 Crystal structure of a topoisomerase ATP inhibitor 2013-07-14 2013-11-13 Basarab, G.S.,Manchester, J.I.,Bist, S.,Boriack-Sjodin, P.A.,Dangel, B.,Illingworth, R.,Sherer, B.A.,Sriram, S.,Uria-Nickelsen, M.,Eakin, A.E. Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents. J.Med.Chem. 2013 56 8712 8735 4N6K 25540822 Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens DSM2638, Target EFI-510113 (Desal_0342), complex with diglycerolphosphate 2013-10-13 2013-11-13 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4N91 25540822 Crystal structure of a trap periplasmic solute binding protein from anaerococcus prevotii dsm 20548 (Apre_1383), target EFI-510023, with bound alpha/beta d-glucuronate 2013-10-18 2013-11-13 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4NAP 25540822 Crystal structure of a trap periplasmic solute binding protein from Desulfovibrio alaskensis G20 (DDE_0634), target EFI-510102, with bound d-tryptophan 2013-10-22 2013-11-13 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4N8Y 25540822 Crystal structure of a trap periplasmic solute binding protein from bradyrhizobium sp. btai1 b (bbta_0128), target EFI-510056 (bbta_0128), complex with alpha/beta-d-galacturonate 2013-10-18 2013-11-20 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4NF0 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOMONAS AERUGINOSA PAO1 (PA4616), TARGET EFI-510182, WITH BOUND L-Malate 2013-10-30 2013-11-20 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4NG7 25540822 Crystal structure of a TRAP periplasmic solute binding protein from Citrobacter koseri (CKO_04899), Target EFI-510094, apo, open structure 2013-11-01 2013-11-20 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4N21 24333483 Crystal structure of the GP2 Core Domain from the California Academy of Science Virus 2013-10-04 2013-11-27 Koellhoffer, J.F.,Dai, Z.,Malashkevich, V.N.,Stenglein, M.D.,Liu, Y.,Toro, R.,S Harrison, J.,Chandran, K.,Derisi, J.L.,Almo, S.C.,Lai, J.R. Structural Characterization of the Glycoprotein GP2 Core Domain from the CAS Virus, a Novel Arenavirus-Like Species. J.Mol.Biol. 2014 426 1452 1468 4N23 24333483 Crystal structure of the GP2 Core Domain from the California Academy of Science Virus, monoclinic symmetry 2013-10-04 2013-11-27 Koellhoffer, J.F.,Dai, Z.,Malashkevich, V.N.,Stenglein, M.D.,Liu, Y.,Toro, R.,S Harrison, J.,Chandran, K.,Derisi, J.L.,Almo, S.C.,Lai, J.R. Structural Characterization of the Glycoprotein GP2 Core Domain from the CAS Virus, a Novel Arenavirus-Like Species. J.Mol.Biol. 2014 426 1452 1468 4NGU 25540822 Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio alaskensis G20 (Dde_1548), Target EFI-510103, with bound D-Ala-D-Ala 2013-11-02 2013-12-04 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4NN3 25540822 Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens (Desal_2161), Target EFI-510109, with bound orotic acid 2013-11-16 2013-12-04 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4MQ1 24239188 The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor 2013-09-15 2013-12-11 Anderson, K.,Chen, Y.,Chen, Z.,Dominique, R.,Glenn, K.,He, Y.,Janson, C.,Luk, K.C.,Lukacs, C.,Polonskaia, A.,Qiao, Q.,Railkar, A.,Rossman, P.,Sun, H.,Xiang, Q.,Vilenchik, M.,Wovkulich, P.,Zhang, X. Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett. 2013 23 6610 6615 4MQ2 24239188 The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor 2013-09-15 2013-12-11 Anderson, K.,Chen, Y.,Chen, Z.,Dominique, R.,Glenn, K.,He, Y.,Janson, C.,Luk, K.C.,Lukacs, C.,Polonskaia, A.,Qiao, Q.,Railkar, A.,Rossman, P.,Sun, H.,Xiang, Q.,Vilenchik, M.,Wovkulich, P.,Zhang, X. Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett. 2013 23 6610 6615 4NQ8 25540822 Crystal structure of a trap periplasmic solute binding protein from Bordetella bronchispeptica (bb3421), target EFI-510039, with density modeled as pantoate 2013-11-24 2014-01-01 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4MI5 24367637 Crystal structure of the EZH2 SET domain 2013-08-30 2014-01-08 Antonysamy, S.,Condon, B.,Druzina, Z.,Bonanno, J.B.,Gheyi, T.,Zhang, F.,Macewan, I.,Zhang, A.,Ashok, S.,Rodgers, L.,Russell, M.,Gately Luz, J. Structural Context of Disease-Associated Mutations and Putative Mechanism of Autoinhibition Revealed by X-Ray Crystallographic Analysis of the EZH2-SET Domain. Plos One 2013 8 0 0 4O7H Crystal structure of a glutathione S-transferase from Rhodospirillum rubrum F11, Target EFI-507460 2013-12-24 2014-01-08 Kim, J.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Attonito, J.D.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a glutathione S-transferase from Rhodospirillum rubrum F11, Target EFI-507460 TO BE PUBLISHED 0 0 0 0 4OVP 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1, TARGET EFI-510292, WITH BOUND ALPHA-D-MANURONATE 2013-12-11 2014-01-08 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4OVS 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFUROSPIRILLUM DELEYIANUM DSM 6946 (Sdel_0447), TARGET EFI-510309, WITH BOUND SUCCINATE 2013-12-13 2014-01-08 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4OVT 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM OCHROBACTERIUM ANTHROPI (Oant_3902), TARGET EFI-510153, WITH BOUND L-FUCONATE 2013-12-14 2014-01-08 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4KU7 24239458 Structures of PKGI Reveal a cGMP-Selective Activation Mechanism 2013-05-21 2014-01-15 Huang, G.Y.,Kim, J.J.,Reger, A.S.,Lorenz, R.,Moon, E.W.,Zhao, C.,Casteel, D.E.,Bertinetti, D.,Vanschouwen, B.,Selvaratnam, R.,Pflugrath, J.W.,Sankaran, B.,Melacini, G.,Herberg, F.W.,Kim, C. Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I. Structure 2014 22 116 124 4KU8 24239458 Structures of PKGI Reveal a cGMP-Selective Activation Mechanism 2013-05-21 2014-01-15 Huang, G.Y.,Kim, J.J.,Reger, A.S.,Lorenz, R.,Moon, E.W.,Zhao, C.,Casteel, D.E.,Bertinetti, D.,Vanschouwen, B.,Selvaratnam, R.,Pflugrath, J.W.,Sankaran, B.,Melacini, G.,Herberg, F.W.,Kim, C. Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I. Structure 2014 22 116 124 4NX1 25540822 Crystal structure of a trap periplasmic solute binding protein from Sulfitobacter sp. nas-14.1, target EFI-510292, with bound alpha-D-taluronate 2013-12-08 2014-01-22 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4O8M 25540822 Crystal structure of a trap periplasmic solute binding protein actinobacillus succinogenes 130z, target EFI-510004, with bound L-galactonate 2013-12-28 2014-01-22 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4O94 25540822 Crystal structure of a trap periplasmic solute binding protein from Rhodopseudomonas palustris HaA2 (RPB_3329), Target EFI-510223, with bound succinate 2014-01-01 2014-01-22 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4OAN 25540822 Crystal structure of a TRAP periplasmic solute binding protein from rhodopseudomonas palustris HaA2 (RPB_2686), TARGET EFI-510221, with density modeled as (S)-2-hydroxy-2-methyl-3-oxobutanoate ((S)-2-Acetolactate) 2014-01-05 2014-01-22 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4OVQ 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS, TARGET EFI-510230, WITH BOUND BETA-D-GLUCURONATE 2013-12-11 2014-01-22 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4OVR 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM XANTHOBACTER AUTOTROPHICUS PY2, TARGET EFI-510329, WITH BOUND BETA-D-GALACTURONATE 2013-12-12 2014-01-22 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4LLU 24463572 Structure of Pertuzumab Fab with light chain Clambda at 2.16A 2013-07-09 2014-01-29 Lewis, S.M.,Wu, X.,Pustilnik, A.,Sereno, A.,Huang, F.,Rick, H.L.,Guntas, G.,Leaver-Fay, A.,Smith, E.M.,Ho, C.,Hansen-Estruch, C.,Chamberlain, A.K.,Truhlar, S.M.,Conner, E.M.,Atwell, S.,Kuhlman, B.,Demarest, S.J. 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Structure 2014 22 478 487 4MUP Crystal structure of Agrobacterium tumefaciens ATU3138 (EFI target 505157), apo structure 2013-09-23 2014-01-29 Vetting, M.W.,Bouvier, J.T.,Groninger-Poe, F.,Imker, H.J.,Gerlt, J.A.,Almo, S.C. Crystal structure of Agrobacterium tumefaciens ATU3138 (EFI target 505157), apo structure To be Published 0 0 0 0 4OA4 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SHEWANELLA LOIHICA PV-4 (Shew_1446), TARGET EFI-510273, WITH BOUND SUCCINATE 2014-01-03 2014-02-05 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4O7M 25540822 Crystal structure of a trap periplasmic solute binding protein from shewanella loihica PV-4, target EFI-510273, with bound L-malate 2013-12-25 2014-03-05 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 3WS6 25063871 Crystal Structure of H-2D in complex with a mimotopic peptide 2014-02-28 2014-03-26 Lamont, D.,Mukherjee, G.,Kumar, P.R.,Samanta, D.,McPhee, C.G.,Kay, T.W.H.,Almo, S.C.,DiLorenzo, T.P.,Serreze, D.V. Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses J. Immunol. 2014 193 2135 2146 4K10 24598749 Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM and Mg2+ 2013-04-04 2014-04-02 Aripirala, S.,Gonzalez-Pacanowska, D.,Oldfield, E.,Kaiser, M.,Amzel, L.M.,Gabelli, S.B. Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates. Acta Crystallogr.,Sect.D 2014 70 802 810 4P3L 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CHROMOHALOBACTER SALEXIGENS DSM 3043 (Csal_2479), TARGET EFI-510085, WITH BOUND GLUCURONATE, SPG P6122 2014-03-09 2014-04-02 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4P52 Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717. 2014-03-13 2014-04-02 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Seidel, R.,Bonanno, J.B.,Almo, S.C. Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717. to be published 0 0 0 0 4PTS Crystal structure of a glutathione transferase from Gordonia bronchialis DSM 43247, target EFI-507405 2014-03-11 2014-04-09 Kim, J.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Attonito, J.D.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C. Crystal structure of a glutathione transferase from Gordonia bronchialis DSM 43247, target EFI-507405 To be Published 0 0 0 0 4PUA Crystal Structure Of glutathione transferase YghU from Streptococcus pneumoniae ATCC 700669, complexed with glutathione, Target EFI-507284 2014-03-12 2014-04-09 Kim, J.,Toro, R.,Bhosle, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Attonito, J.D.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Stead, M.,Hillerich, B.,Love, J.,Seidel, R.D.,Imker, H.J.,Gerlt, J.A.,Almo, S.C. Crystal Structure Of glutathione transferase YghU from Streptococcus pneumoniae ATCC 700669, complexed with glutathione, Target EFI-507284 To be Published 0 0 0 0 4PX1 CRYSTAL STRUCTURE OF Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE (TARGET EFI-507068) 2014-03-21 2014-04-09 Patskovsky, Y.,Toro, R.,Bhosle, R.,Hillerich, B.,Seidel, R.D.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hammonds, J.,Imker, H.J.,Al Obaidi, N.,Stead, M.,Love, J.,Gerlt, J.A.,Armstrong, R.N.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of glutathione s-transferase zeta from methylobacterium extorquens (TARGET EFI-507068) To be Published 0 0 0 0 4L1W 24434280 Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone 2013-06-03 2014-04-16 Zhang, B.,Zhu, D.-W.,Hu, X.-J.,Zhou, M.,Shang, P.,Lin, S.-X. 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Biochemistry 2015 54 909 931 4OXM CRYSTAL STRUCTURE OF Central Coiled-Coil from Influenza Hemagglutinin HA2 without Heptad Repeat Stutter 2014-02-05 2014-04-30 Malashkevich, V.N.,Higgins, C.D.,Lai, J.R.,Almo, S.C. 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Biochemistry 2015 54 909 931 4P8B 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RALSTONIA EUTROPHA H16 (H16_A1328), TARGET EFI-510189, WITH BOUND (S)-2-hydroxy-2-methyl-3-oxobutanoate ((S)-2-Acetolactate) 2014-03-31 2014-05-07 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4P9K 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM VERMINEPHROBACTER EISENIAE EF01-2 (Veis_3954, TARGET EFI-510324) A NEPHRIDIAL SYMBIONT OF THE EARTHWORM EISENIA FOETIDA, BOUND TO D-ERYTHRONATE WITH RESIDUAL DENSITY SUGGESTIVE OF SUPERPOSITION WITH COPURIFIED ALTERNATIVE LIGAND. 2014-04-04 2014-05-07 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PAF 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RUEGERIA POMEROYI DSS-3 (SPO1773, TARGET EFI-510260) WITH BOUND 3,4-DIHYDROXYBENZOATE 2014-04-08 2014-05-07 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PAI 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RUEGERIA POMEROYI DSS-3 (SPO1773, TARGET EFI-510260) WITH BOUND 3-HYDROXYBENZOATE 2014-04-09 2014-05-07 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PAK 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM VERMINEPHROBACTER EISENIAE EF01-2 (Veis_3954, TARGET EFI-510324) A NEPHRIDIAL SYMBIONT OF THE EARTHWORM EISENIA FOETIDA, BOUND TO (R)-PANTOIC ACID 2014-04-09 2014-05-07 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PBH 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RUEGERIA POMEROYI DSS-3 (SPO1773, TARGET EFI-510260) WITH BOUND BENZOIC ACID 2014-04-12 2014-05-07 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PBQ 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE RdAW (HICG_00826, TARGET EFI-510123) WITH BOUND L-GULONATE 2014-04-13 2014-05-07 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PCD 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS OCh 114 (RD1_1052, TARGET EFI-510238) WITH BOUND L-GALACTONATE 2014-04-15 2014-05-07 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4OQT 24756303 LINGO-1/Li81 Fab complex 2014-02-10 2014-05-14 Pepinsky, R.B.,Arndt, J.W.,Quan, C.,Gao, Y.,Quintero-Monzon, O.,Lee, X.,Mi, S. Structure of the LINGO-1-Anti-LINGO-1 Li81 Antibody Complex Provides Insights into the Biology of LINGO-1 and the Mechanism of Action of the Antibody Therapy. J.Pharmacol.Exp.Ther. 2014 350 110 123 4PDD 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_0088, TARGET EFI-510167) BOUND TO D-ERYTHRONATE 2014-04-18 2014-05-14 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PDH 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_1871, TARGET EFI-510164) BOUND TO D-ERYTHRONATE 2014-04-18 2014-05-14 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PE3 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3620, TARGET EFI-510199), APO OPEN STRUCTURE 2014-04-22 2014-05-14 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PET 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM COLWELLIA PSYCHRERYTHRAEA (CPS_0129, TARGET EFI-510097) WITH BOUND CALCIUM AND PYRUVATE 2014-04-24 2014-05-14 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PF6 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS (RD1_0742, TARGET EFI-510239) WITH BOUND 3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID (KDO) 2014-04-28 2014-05-14 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PF8 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. 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Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PFI 25540822 Crystal structure of a tRAP periplasmic solute binding protein from marinobacter aquaeolei VT8 (Maqu_2829, TARGET EFI-510133), apo open structure 2014-04-29 2014-05-14 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PFR 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3541, TARGET EFI-510203), APO OPEN PARTIALLY DISORDERED 2014-04-30 2014-05-14 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4PC9 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSENBACTER DENITRIFICANS OCh 114 (RD1_1052, TARGET EFI-510238) WITH BOUND D-MANNONATE 2014-04-14 2014-05-21 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4P67 CRYSTAL STRUCTURE OF Central Coiled-Coil from Influenza Hemagglutinin HA2 without Heptad Repeat Stutter, spacegroup P3(1) 2014-03-22 2014-05-28 Malashkevich, V.N.,Higgins, C.D.,Lai, J.R.,Almo, S.C. CRYSTAL STRUCTURE OF Central Coiled-Coil from InfluenzaHemagglutinin HA2 without Heptad Repeat Stutter, spacegroup P3(1) to be published 0 0 0 0 4PGN 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO ALASKENSIS G20 (Dde_0634, TARGET EFI-510120) WITH BOUND INDOLE PYRUVATE 2014-05-02 2014-05-28 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 3WIG 24746704 Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP 2013-09-12 2014-06-04 Lito, P.,Saborowski, A.,Yue, J.,Solomon, M.,Joseph, E.,Gadal, S.,Saborowski, M.,Kastenhuber, E.,Fellmann, C.,Ohara, K.,Morikami, K.,Miura, T.,Lukacs, C.,Ishii, N.,Lowe, S.,Rosen, N. Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors Cancer Cell 2014 25 697 710 4Q9T Crystal structure of Vanderwaltozyma polyspora Nup133 Beta-propeller domain 2014-05-01 2014-06-04 Sampathkumar, P.,Bonanno, J.B.,Rout, M.P.,Almo, S.C. Crystal structure of Vanderwaltozyma polyspora Nup133 Beta-propeller domain to be published 0 0 0 0 4QGH 24828090 S.aureus TMK in complex with potent inhibitor compound 47 2014-05-22 2014-06-11 Kawatkar, S.P.,Keating, T.A.,Olivier, N.B.,Breen, J.N.,Green, O.M.,Guler, S.Y.,Hentemann, M.F.,Loch, J.T.,McKenzie, A.R.,Newman, J.V.,Otterson, L.G.,Martinez-Botella, G. Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region. J.Med.Chem. 2014 57 4584 4597 4PGP 25540822 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO ALASKENSIS G20 (Dde_0634, TARGET EFI-510120) WITH BOUND 3-INDOLE ACETIC ACID 2014-05-02 2014-06-18 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4P71 24936059 Apo PheRS from P. aeuriginosa 2014-03-25 2014-06-25 Abibi, A.,Ferguson, A.D.,Fleming, P.R.,Gao, N.,Hajec, L.I.,Hu, J.,Laganas, V.A.,McKinney, D.C.,McLeod, S.M.,Prince, D.B.,Shapiro, A.B.,Buurman, E.T. The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem. 2014 289 21651 21662 4P72 24936059 PheRS in complex with compound 2a 2014-03-25 2014-06-25 Abibi, A.,Ferguson, A.D.,Fleming, P.R.,Gao, N.,Hajec, L.I.,Hu, J.,Laganas, V.A.,McKinney, D.C.,McLeod, S.M.,Prince, D.B.,Shapiro, A.B.,Buurman, E.T. The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem. 2014 289 21651 21662 4P73 24936059 PheRS in complex with compound 1a 2014-03-25 2014-06-25 Abibi, A.,Ferguson, A.D.,Fleming, P.R.,Gao, N.,Hajec, L.I.,Hu, J.,Laganas, V.A.,McKinney, D.C.,McLeod, S.M.,Prince, D.B.,Shapiro, A.B.,Buurman, E.T. The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J.Biol.Chem. 2014 289 21651 21662 4LWV 24900784 The 2.3A Crystal Structure of Humanized Xenopus MDM2 with RO5545353 2013-07-28 2014-07-02 Zhang, Z.,Chu, X.J.,Liu, J.J.,Ding, Q.,Zhang, J.,Bartkovitz, D.,Jiang, N.,Karnachi, P.,So, S.S.,Tovar, C.,Filipovic, Z.M.,Higgins, B.,Glenn, K.,Packman, K.,Vassilev, L.,Graves, B. Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development. ACS MED.CHEM.LETT. 2014 5 124 127 4PFQ Crystal structure of hypoxanthine phosphoribosyltransferase from Brachybacterium faecium DSM 4810, NYSGRC Target 029763. 2014-04-30 2014-07-02 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Seidel, R.,Bonanno, J.B.,Almo, S.C.,New York Structural Genomics Research Consortium (NYSGRC) Crystal structure of hypoxanthine phosphoribosyltransferase from Brachybacterium faecium DSM 4810, NYSGRC Target 0299763. to be published 0 0 0 0 4K4G 25015085 Ternary crystal structures of human DNA POLYMERASE LAMBDA IN COMPLEX WITH DNA AND L-DCTP. 2013-04-12 2014-07-16 Vyas, R.,Zahurancik, W.J.,Suo, Z. Structural basis for the binding and incorporation of nucleotide analogs with L-stereochemistry by human DNA polymerase lambda. Proc.Natl.Acad.Sci.USA 2014 111 0 0 4K4H 25015085 Ternary crystal structures of a human DNA POLYMERASE LAMBDA IN COMPLEX WITH DNA AND (-)3TC-TP. 2013-04-12 2014-07-16 Vyas, R.,Zahurancik, W.J.,Suo, Z. Structural basis for the binding and incorporation of nucleotide analogs with L-stereochemistry by human DNA polymerase lambda. Proc.Natl.Acad.Sci.USA 2014 111 0 0 4K4I 25015085 Ternary crystal structures of a human DNA POLYMERASE LAMBDA IN COMPLEX WITH DNA AND (-)FTC-TP. 2013-04-12 2014-07-16 Vyas, R.,Zahurancik, W.J.,Suo, Z. Structural basis for the binding and incorporation of nucleotide analogs with L-stereochemistry by human DNA polymerase lambda. Proc.Natl.Acad.Sci.USA 2014 111 0 0 4TYM Crystal structure of purine nucleoside phosphorylase from Streptococcus agalactiae 2603V/R, NYSGRC Target 030935 2014-07-08 2014-07-23 Malashkevich, V.N.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Seidel, R.,Bonanno, J.B.,Almo, S.C.,New York Structural Genomics Research Consortium (NYSGRC) Crystal structure of purine nucleoside phosphorylase from Streptococcus agalactiae 2603V/R, NYSGRC Target 030935. To Be Published 0 0 0 0 4OJK 25070890 Structure of the cGMP Dependent Protein Kinase II and Rab11b Complex 2014-01-21 2014-08-06 Reger, A.S.,Yang, M.P.,Koide-Yoshida, S.,Guo, E.,Mehta, S.,Yuasa, K.,Liu, A.,Casteel, D.E.,Kim, C. Crystal Structure of the cGMP-dependent Protein Kinase II Leucine Zipper and Rab11b Protein Complex Reveals Molecular Details of G-kinase-specific Interactions. J.Biol.Chem. 2014 289 25393 25403 4QW8 25104018 TERNARY CRYSTAL STRUCTURES of A Y-FAMILY DNA POLYMERASE DPO4 FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH DNA AND D-DCTP 2014-07-16 2014-08-27 Gaur, V.,Vyas, R.,Fowler, J.D.,Efthimiopoulos, G.,Feng, J.Y.,Suo, Z. Structural and kinetic insights into binding and incorporation of L-nucleotide analogs by a Y-family DNA polymerase. Nucleic Acids Res. 2014 42 9984 9995 4QW9 25104018 TERNARY CRYSTAL STRUCTURES of A Y-FAMILY DNA POLYMERASE DPO4 FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH DNA AND (-)FTC-PPNP 2014-07-16 2014-08-27 Gaur, V.,Vyas, R.,Fowler, J.D.,Efthimiopoulos, G.,Feng, J.Y.,Suo, Z. Structural and kinetic insights into binding and incorporation of L-nucleotide analogs by a Y-family DNA polymerase. Nucleic Acids Res. 2014 42 9984 9995 4QWA 25104018 TERNARY CRYSTAL STRUCTURES OF A Y-FAMILY DNA POLYMERASE DPO4 FROM SULFOLOBUS SOLFATARICUS in COMPLEX WITH DNA AND (-)3TC-DP 2014-07-16 2014-08-27 Gaur, V.,Vyas, R.,Fowler, J.D.,Efthimiopoulos, G.,Feng, J.Y.,Suo, Z. Structural and kinetic insights into binding and incorporation of L-nucleotide analogs by a Y-family DNA polymerase. Nucleic Acids Res. 2014 42 9984 9995 4QWB 25104018 CRYSTAL STRUCTURE of DPO4 LINKER REGION P236A MUTANT WITH AN INCOMING D-dCDP 2014-07-16 2014-08-27 Gaur, V.,Vyas, R.,Fowler, J.D.,Efthimiopoulos, G.,Feng, J.Y.,Suo, Z. Structural and kinetic insights into binding and incorporation of L-nucleotide analogs by a Y-family DNA polymerase. Nucleic Acids Res. 2014 42 9984 9995 4QWC 25104018 Ternary Crystal Structures of a Y-family DNA polymerase DPO4 from Sulfobus Solfataricus in Comples with DNA and L-DCDP 2014-07-16 2014-08-27 Gaur, V.,Vyas, R.,Fowler, J.D.,Efthimiopoulos, G.,Feng, J.Y.,Suo, Z. Structural and kinetic insights into binding and incorporation of L-nucleotide analogs by a Y-family DNA polymerase. Nucleic Acids Res. 2014 42 9984 9995 4QWD 25104018 TERNARY CRYSTAL STRUCTURES of A Y-FAMILY DNA POLYMERASE DPO4 FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH DNA AND (-)3TC-PPNP 2014-07-16 2014-08-27 Gaur, V.,Vyas, R.,Fowler, J.D.,Efthimiopoulos, G.,Feng, J.Y.,Suo, Z. Structural and kinetic insights into binding and incorporation of L-nucleotide analogs by a Y-family DNA polymerase. Nucleic Acids Res. 2014 42 9984 9995 4QWE 25104018 TERNARY CRYSTAL STRUCTURES of A Y-FAMILY DNA POLYMERASE DPO4 FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH DNA AND (-)FTC-DP 2014-07-16 2014-08-27 Gaur, V.,Vyas, R.,Fowler, J.D.,Efthimiopoulos, G.,Feng, J.Y.,Suo, Z. Structural and kinetic insights into binding and incorporation of L-nucleotide analogs by a Y-family DNA polymerase. Nucleic Acids Res. 2014 42 9984 9995 4R31 Crystal structure of a putative uridine phosphorylase from Actinobacillus succinogenes 130Z (Target NYSGRC-029667 ) 2014-08-13 2014-08-27 Sampathkumar, P.,Ahmed, M.,Attonito, J.,Bhosle, R.,Bonanno, J.,Chamala, S.,Chowdhury, S.,Fiser, A.,Glenn, A.S.,Hammonds, J.,Himmel, D.M.,Hillerich, B.,Khafizov, K.,Lafleur, J.,Love, J.D.,Stead, M.,Seidel, R.,Toro, R.,Morisco, L.L.,Sojitra, S.S.,Wasserman, S.R.,Schramm, V.L.,Almo, S.C.,New York Structural Genomics Research Consortium Crystal structure of a putative uridine phosphorylase from Actinobacillus succinogenes 130Z (Target NYSGRC-029667 ) to be published 0 0 0 0 4UAB 25540822 Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine 2014-08-08 2014-09-03 Vetting, M.W.,Al-Obaidi, N.,Zhao, S.,San Francisco, B.,Kim, J.,Wichelecki, D.J.,Bouvier, J.T.,Solbiati, J.O.,Vu, H.,Zhang, X.,Rodionov, D.A.,Love, J.D.,Hillerich, B.S.,Seidel, R.D.,Quinn, R.J.,Osterman, A.L.,Cronan, J.E.,Jacobson, M.P.,Gerlt, J.A.,Almo, S.C. Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry 2015 54 909 931 4UC0 Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis 2014-08-13 2014-10-08 Cameron, S.A.,Sampathkumar, P.,Ramagopal, U.A.,Attonito, J.,Ahmed, M.,Bhosle, R.,Bonanno, J.,Chamala, S.,Chowdhury, S.,Glenn, A.S.,Hammonds, J.,Hillerich, B.,Love, J.D.,Seidel, R.,Stead, M.,Toro, R.,Wasserman, S.R.,Schramm, V.L.,Almo, S.C.,New York Structural Genomics Research Consortium (NYSGRC) Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis To be published 0 0 0 0 4KQL 25262942 Hin GlmU bound to WG578 2013-05-15 2014-10-15 Doig, P.,Boriack-Sjodin, P.A.,Dumas, J.,Hu, J.,Itoh, K.,Johnson, K.,Kazmirski, S.,Kinoshita, T.,Kuroda, S.,Sato, T.O.,Sugimoto, K.,Tohyama, K.,Aoi, H.,Wakamatsu, K.,Wang, H. Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem. 2014 22 6256 6269 4P6E 25313327 Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor 2014-03-24 2014-10-29 Jadhav, P.K.,Schiffler, M.A.,Gavardinas, K.,Kim, E.J.,Matthews, D.P.,Staszak, M.A.,Coffey, D.S.,Shaw, B.W.,Cassidy, K.C.,Brier, R.A.,Zhang, Y.,Christie, R.M.,Matter, W.F.,Qing, K.,Durbin, J.D.,Wang, Y.,Deng, G.G. Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm. Acs Med.Chem.Lett. 2014 5 1138 1142 4P6G 25313327 Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor. 2014-03-24 2014-10-29 Jadhav, P.K.,Schiffler, M.A.,Gavardinas, K.,Kim, E.J.,Matthews, D.P.,Staszak, M.A.,Coffey, D.S.,Shaw, B.W.,Cassidy, K.C.,Brier, R.A.,Zhang, Y.,Christie, R.M.,Matter, W.F.,Qing, K.,Durbin, J.D.,Wang, Y.,Deng, G.G. Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm. Acs Med.Chem.Lett. 2014 5 1138 1142 4WR2 Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site 2014-10-22 2014-11-12 Himmel, D.M.,Bhosle, R.,Toro, R.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Seidel, R.D.,Bonanno, J.B.,Almo, S.C. Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site To be published 0 0 0 0 4WT7 Crystal structure of an ABC transporter solute binding protein (IPR025997) from Agrobacterium vitis (Avi_5165, Target EFI-511223) with bound allitol 2014-10-29 2014-11-12 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal structure of an ABC transporter solute binding protein (IPR025997) from Agrobacterium vitis (Avi_5165, Target EFI-511223) with bound allitol To be published 0 0 0 0 4RS3 26560079 Crystal structure of carbohydrate transporter A0QYB3 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with xylitol 2014-11-06 2014-11-19 Huang, H.,Carter, M.S.,Vetting, M.W.,Al-Obaidi, N.,Patskovsky, Y.,Almo, S.C.,Gerlt, J.A. A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis. J.Am.Chem.Soc. 2015 137 14570 14573 4WK5 Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 2014-10-01 2014-11-19 Toro, R.,Bhosle, R.,Vetting, M.W.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hillerich, B.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Poulter, C.D.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 To be published 0 0 0 0 4WUZ 25370446 Crystal structure of lambda exonuclease in complex with DNA and Ca2+ 2014-11-04 2014-11-19 Zhang, J.,Pan, X.,Bell, C.E. Crystal Structure of lambda Exonuclease in Complex with DNA and Ca(2+). Biochemistry 2014 53 7415 7425 4RQB Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (tetragonal space group) 2014-10-31 2014-11-26 Ghosh, A.,Ahmed, A.,Bhoshle, R.,Seidel, R.,Stead, M.,Toro, R.,Schramm, V.L.,Almo, S.C.,New York Structural Genomics Research Consortium (NYSGRC) Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (tetragonal space group) To be Published 0 0 0 0 4WUV Crystal Structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD 2014-11-03 2014-11-26 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD To be published 0 0 0 0 4WWH CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEG_1704, TARGET EFI-510967) WITH BOUND D-GALACTOSE 2014-11-11 2014-11-26 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEG_1704, TARGET EFI-510967) WITH BOUND D-GALACTOSE To be published 0 0 0 0 4WXE CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS 2014-11-13 2014-11-26 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS To be published 0 0 0 0 4MDD Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12 2013-08-22 2014-12-03 Luz, J.G.,Coghlan, M.J. Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12 To be Published 0 0 0 0 4OVN 25370050 Voltage-gated Sodium Channel 1.5 (Nav1.5) C-terminal domain in complex with Calmodulin poised for activation 2013-12-10 2014-12-03 Gabelli, S.B.,Boto, A.,Kuhns, V.H.,Bianchet, M.A.,Farinelli, F.,Aripirala, S.,Yoder, J.,Jakoncic, J.,Tomaselli, G.F.,Amzel, L.M. Regulation of the NaV1.5 cytoplasmic domain by calmodulin. Nat Commun 2014 5 5126 0 4RSM 26560079 Crystal structure of carbohydrate transporter msmeg_3599 from mycobacterium smegmatis str. mc2 155, target efi-510970, in complex with d-threitol 2014-11-08 2014-12-10 Huang, H.,Carter, M.S.,Vetting, M.W.,Al-Obaidi, N.,Patskovsky, Y.,Almo, S.C.,Gerlt, J.A. A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis. J.Am.Chem.Soc. 2015 137 14570 14573 4WK7 25415648 Crystal structure of human ADAMTS-4 in complex with inhibitor (compound 1, 2-(4-chlorophenoxy)-N-{[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl} acetamide) 2014-10-01 2014-12-10 Durham, T.B.,Klimkowski, V.J.,Rito, C.J.,Marimuthu, J.,Toth, J.L.,Liu, C.,Durbin, J.D.,Stout, S.L.,Adams, L.,Swearingen, C.,Lin, C.,Chambers, M.G.,Thirunavukkarasu, K.,Wiley, M.R. Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis. J.Med.Chem. 2014 57 10476 10485 4WKE 25415648 Crystal structure of human ADAMTS-4 in complex with inhibitor 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (compound 10) 2014-10-02 2014-12-10 Durham, T.B.,Klimkowski, V.J.,Rito, C.J.,Marimuthu, J.,Toth, J.L.,Liu, C.,Durbin, J.D.,Stout, S.L.,Adams, L.,Swearingen, C.,Lin, C.,Chambers, M.G.,Thirunavukkarasu, K.,Wiley, M.R. Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis. J.Med.Chem. 2014 57 10476 10485 4WKI 25415648 Crystal structure of human ADAMTS-4 in complex with inhibitor 5-CHLORO-N-{[(4S)-4-(1-METHYL-1H-IMIDAZOL-2-YL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]METHYL}-1-BENZOFURAN-2-CARBOXAMIDE (compound 11) 2014-10-02 2014-12-10 Durham, T.B.,Klimkowski, V.J.,Rito, C.J.,Marimuthu, J.,Toth, J.L.,Liu, C.,Durbin, J.D.,Stout, S.L.,Adams, L.,Swearingen, C.,Lin, C.,Chambers, M.G.,Thirunavukkarasu, K.,Wiley, M.R. Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis. J.Med.Chem. 2014 57 10476 10485 4RU1 Crystal structure of carbohydrate transporter ACEI_1806 from Acidothermus cellulolyticus 11B, TARGET EFI-510965, in complex with myo-inositol 2014-11-17 2014-12-17 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Scott Glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Morisco, L.L.,Wasserman, S.R.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal structure of carbohydrate transporter ACEI_1806 from Acidothermus cellulolyticus, TARGET EFI-510965. To be Published 0 0 0 0 4WUT CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS (Avi_5133, TARGET EFI-511220) WITH BOUND D-FUCOSE 2014-11-03 2014-12-17 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS (Avi_5133, TARGET EFI-511220) WITH BOUND D-FUCOSE To be published 0 0 0 0 4WWO 25469863 Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine 2014-11-11 2014-12-17 Cushing, T.D.,Hao, X.,Shin, Y.,Andrews, K.,Brown, M.,Cardozo, M.,Chen, Y.,Duquette, J.,Fisher, B.,Gonzalez-Lopez de Turiso, F.,He, X.,Henne, K.R.,Hu, Y.L.,Hungate, R.,Johnson, M.G.,Kelly, R.C.,Lucas, B.,McCarter, J.D.,McGee, L.R.,Medina, J.C.,San Miguel, T.,Mohn, D.,Pattaropong, V.,Pettus, L.H.,Reichelt, A.,Rzasa, R.M.,Seganish, J.,Tasker, A.S.,Wahl, R.C.,Wannberg, S.,Whittington, D.A.,Whoriskey, J.,Yu, G.,Zalameda, L.,Zhang, D.,Metz, D.P. Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem. 2015 58 480 511 4WWP 25469863 Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine 2014-11-11 2014-12-17 Cushing, T.D.,Hao, X.,Shin, Y.,Andrews, K.,Brown, M.,Cardozo, M.,Chen, Y.,Duquette, J.,Fisher, B.,Gonzalez-Lopez de Turiso, F.,He, X.,Henne, K.R.,Hu, Y.L.,Hungate, R.,Johnson, M.G.,Kelly, R.C.,Lucas, B.,McCarter, J.D.,McGee, L.R.,Medina, J.C.,San Miguel, T.,Mohn, D.,Pattaropong, V.,Pettus, L.H.,Reichelt, A.,Rzasa, R.M.,Seganish, J.,Tasker, A.S.,Wahl, R.C.,Wannberg, S.,Whittington, D.A.,Whoriskey, J.,Yu, G.,Zalameda, L.,Zhang, D.,Metz, D.P. Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem. 2015 58 480 511 4WZZ CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTAS (Cphy_0583, TARGET EFI-511148) WITH BOUND L-RHAMNOSE 2014-11-20 2014-12-17 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTAS (Cphy_0583, TARGET EFI-511148) WITH BOUND L-RHAMNOSE To be published 0 0 0 0 4RXL Crystal structure of Molybdenum ABC transporter solute binding protein Vc_A0726 from Vibrio Cholerae, Target EFI-510913, in complex with tungstate 2014-12-11 2014-12-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Scott Glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Morisco, L.L.,Wasserman, S.R.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal Structure of Molybdate Transporter Vc_A0726 from Vibrio Cholerae, Target EFI-510913 To be Published 0 0 0 0 4RXM Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol 2014-12-11 2014-12-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Scott Glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Morisco, L.L.,Wasserman, S.R.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal structure of solute binding sugar transporter A7JW62 from Mannheimia haemolytica, Target EFI-511105. To be Published 0 0 0 0 4RXT Crystal structure of carbohydrate transporter solute binding protein Arad_9553 from Agrobacterium Radiobacter, Target EFI-511541, in complex with D-arabinose 2014-12-11 2014-12-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Scott Glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Morisco, L.L.,Wasserman, S.R.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal Structure of Sugar Binding Transporter Arad_9553 from Agrobacterium Radiobacter, Target Efi-511541 To be Published 0 0 0 0 4RXU Crystal structure of carbohydrate transporter solute binding protein CAUR_1924 from Chloroflexus aurantiacus, Target EFI-511158, in complex with D-glucose 2014-12-11 2014-12-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Scott Glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Morisco, L.L.,Wasserman, S.R.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal structure of sugar transporter CAUR_1924 from Chloroflexus aurantiacus, Target EFI-511158 To be Published 0 0 0 0 4RY0 Crystal structure of ribose transporter solute binding protein RHE_PF00037 from Rhizobium etli CFN 42, TARGET EFI-511357, in complex with D-ribose 2014-12-12 2014-12-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Scott Glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Morisco, L.L.,Wasserman, S.R.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal Structure of Ribose Transporter Solute Binding Protein from Rhizobium Etly, Target Efi-511357 To be Published 0 0 0 0 4RY1 Crystal structure of periplasmic solute binding protein ECA2210 from Pectobacterium atrosepticum SCRI1043, Target EFI-510858 2014-12-12 2014-12-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Scott Glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Hillerich, B.,Morisco, L.L.,Wasserman, S.R.,Siedel, R.D.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal structure of periplasmic solute binding protein ECA2210 from Pectobacterium atrosepticum, Target EFI-510858 To be Published 0 0 0 0 4RY8 Crystal structure of 5-methylthioribose transporter solute binding protein TLET_1677 from Thermotoga lettingae TMO TARGET EFI-511109 in complex with 5-methylthioribose 2014-12-13 2014-12-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al obaidi, N.,Chamala, S.,Scott glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Morisco, L.L.,Wasserman, S.R.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal structure of 5-methylthioribose binding protein TLET_1677 from Thermotoga lettingae TARGET EFI-511109 To be Published 0 0 0 0 4RY9 Crystal structure of carbohydrate transporter solute binding protein VEIS_2079 from Verminephrobacter eiseniae EF01-2, TARGET EFI-511009, a complex with D-TALITOL 2014-12-13 2014-12-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Scott Glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Morisco, L.L.,Wasserman, S.R.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal structure of carbohydrate transporter solute binding protein VEIS_2079 from Verminephrobacter eiseniae To be Published 0 0 0 0 4RYA Crystal structure of abc transporter solute binding protein AVI_3567 from AGROBACTERIUM VITIS S4, TARGET EFI-510645, with bound D-mannitol 2014-12-13 2014-12-24 Patskovsky, Y.,Toro, R.,Bhosle, R.,Al Obaidi, N.,Chamala, S.,Scott Glenn, A.,Attonito, J.D.,Chowdhury, S.,Lafleur, J.,Siedel, R.D.,Morisco, L.L.,Wasserman, S.R.,Hillerich, B.,Love, J.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal Structure of Periplasmic Solute-Binding Protein Avi_3567 from Agrobacterium Vitis, Target Efi-510645 To be Published 0 0 0 0 4X7I 25609634 Crystal Structure of BACE with amino thiazine inhibitor LY2886721 2014-12-09 2014-12-24 May, P.C.,Willis, B.A.,Lowe, S.L.,Dean, R.A.,Monk, S.A.,Cocke, P.J.,Audia, J.E.,Boggs, L.N.,Borders, A.R.,Brier, R.A.,Calligaro, D.O.,Day, T.A.,Ereshefsky, L.,Erickson, J.A.,Gevorkyan, H.,Gonzales, C.R.,James, D.E.,Jhee, S.S.,Komjathy, S.F.,Li, L.,Lindstrom, T.D.,Mathes, B.M.,Martenyi, F.,Sheehan, S.M.,Stout, S.L.,Timm, D.E.,Vaught, G.M.,Watson, B.M.,Winneroski, L.L.,Yang, Z.,Mergott, D.J. The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans. J.Neurosci. 2015 35 1199 1210 4X8R CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM Rhodobacter sphaeroides (Rsph17029_2138, TARGET EFI-510205) WITH BOUND Glucuronate 2014-12-10 2014-12-24 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM Rhodobacter sphaeroides (Rsph17029_2138, TARGET EFI-510205) WITH BOUND Glucuronate To be published 0 0 0 0 4X9T Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand 2014-12-11 2014-12-24 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand To be published 0 0 0 0 4OFF 25646845 Crystal structure of apo carboxy cGMP binding domain of Plasmodium falciparum PKG 2014-01-14 2015-01-21 Kim, J.J.,Flueck, C.,Franz, E.,Sanabria-Figueroa, E.,Thompson, E.,Lorenz, R.,Bertinetti, D.,Baker, D.A.,Herberg, F.W.,Kim, C. Crystal Structures of the Carboxyl cGMP Binding Domain of the Plasmodium falciparum cGMP-dependent Protein Kinase Reveal a Novel Capping Triad Crucial for Merozoite Egress. Plos Pathog. 2015 11 0 0 4OFG 25646845 Co-crystal structure of carboxy cGMP binding domain of Plasmodium falciparum PKG with cGMP 2014-01-14 2015-01-21 Kim, J.J.,Flueck, C.,Franz, E.,Sanabria-Figueroa, E.,Thompson, E.,Lorenz, R.,Bertinetti, D.,Baker, D.A.,Herberg, F.W.,Kim, C. Crystal Structures of the Carboxyl cGMP Binding Domain of the Plasmodium falciparum cGMP-dependent Protein Kinase Reveal a Novel Capping Triad Crucial for Merozoite Egress. Plos Pathog. 2015 11 0 0 4XEQ CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID 2014-12-24 2015-01-28 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID To be published 0 0 0 0 4XF5 Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. 2014-12-26 2015-01-28 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol. To be published 0 0 0 0 4XFE Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate 2014-12-26 2015-01-28 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate To be published 0 0 0 0 4XFR 27402745 Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522 2014-12-28 2015-01-28 Zhang, X.,Carter, M.S.,Vetting, M.W.,San Francisco, B.,Zhao, S.,Al-Obaidi, N.F.,Solbiati, J.O.,Thiaville, J.J.,de Crecy-Lagard, V.,Jacobson, M.P.,Almo, S.C.,Gerlt, J.A. Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA 2016 113 0 0 4XAQ 25602126 mGluR2 ECD and mGluR3 ECD with ligands 2014-12-15 2015-02-04 Monn, J.A.,Prieto, L.,Taboada, L.,Pedregal, C.,Hao, J.,Reinhard, M.R.,Henry, S.S.,Goldsmith, P.J.,Beadle, C.D.,Walton, L.,Man, T.,Rudyk, H.,Clark, B.,Tupper, D.,Baker, S.R.,Lamas, C.,Montero, C.,Marcos, A.,Blanco, J.,Bures, M.,Clawson, D.K.,Atwell, S.,Lu, F.,Wang, J.,Russell, M.,Heinz, B.A.,Wang, X.,Carter, J.H.,Xiang, C.,Catlow, J.T.,Swanson, S.,Sanger, H.,Broad, L.M.,Johnson, M.P.,Knopp, K.L.,Simmons, R.M.,Johnson, B.G.,Shaw, D.B.,McKinzie, D.L. Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem. 2015 58 1776 1794 4XAS 25602126 mGluR2 ECD ligand complex 2014-12-15 2015-02-04 Monn, J.A.,Prieto, L.,Taboada, L.,Pedregal, C.,Hao, J.,Reinhard, M.R.,Henry, S.S.,Goldsmith, P.J.,Beadle, C.D.,Walton, L.,Man, T.,Rudyk, H.,Clark, B.,Tupper, D.,Baker, S.R.,Lamas, C.,Montero, C.,Marcos, A.,Blanco, J.,Bures, M.,Clawson, D.K.,Atwell, S.,Lu, F.,Wang, J.,Russell, M.,Heinz, B.A.,Wang, X.,Carter, J.H.,Xiang, C.,Catlow, J.T.,Swanson, S.,Sanger, H.,Broad, L.M.,Johnson, M.P.,Knopp, K.L.,Simmons, R.M.,Johnson, B.G.,Shaw, D.B.,McKinzie, D.L. Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem. 2015 58 1776 1794 4X7Q 25575657 PIM2 kinase in complex with Compound 1s 2014-12-09 2015-02-11 Ishchenko, A.,Zhang, L.,Le Brazidec, J.Y.,Fan, J.,Chong, J.H.,Hingway, A.,Raditsis, A.,Singh, L.,Elenbaas, B.,Hong, V.S.,Marcotte, D.,Silvian, L.,Enyedy, I.,Chao, J. Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg.Med.Chem.Lett. 2015 25 474 480 4XAR 25602126 mGluR2 ECD and mGluR3 ECD complex with ligands 2014-12-15 2015-02-11 Monn, J.A.,Prieto, L.,Taboada, L.,Pedregal, C.,Hao, J.,Reinhard, M.R.,Henry, S.S.,Goldsmith, P.J.,Beadle, C.D.,Walton, L.,Man, T.,Rudyk, H.,Clark, B.,Tupper, D.,Baker, S.R.,Lamas, C.,Montero, C.,Marcos, A.,Blanco, J.,Bures, M.,Clawson, D.K.,Atwell, S.,Lu, F.,Wang, J.,Russell, M.,Heinz, B.A.,Wang, X.,Carter, J.H.,Xiang, C.,Catlow, J.T.,Swanson, S.,Sanger, H.,Broad, L.M.,Johnson, M.P.,Knopp, K.L.,Simmons, R.M.,Johnson, B.G.,Shaw, D.B.,McKinzie, D.L. Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem. 2015 58 1776 1794 4XHK 25575657 PIM1 kinase in complex with Compound 1s 2015-01-05 2015-02-11 Ishchenko, A.,Zhang, L.,Le Brazidec, J.Y.,Fan, J.,Chong, J.H.,Hingway, A.,Raditsis, A.,Singh, L.,Elenbaas, B.,Hong, V.S.,Marcotte, D.,Silvian, L.,Enyedy, I.,Chao, J. Structure-based design of low-nanomolar PIM kinase inhibitors. Bioorg.Med.Chem.Lett. 2015 25 474 480 4XGJ 27402745 Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer 2014-12-30 2015-02-18 Zhang, X.,Carter, M.S.,Vetting, M.W.,San Francisco, B.,Zhao, S.,Al-Obaidi, N.F.,Solbiati, J.O.,Thiaville, J.J.,de Crecy-Lagard, V.,Jacobson, M.P.,Almo, S.C.,Gerlt, J.A. Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA 2016 113 0 0 4XG0 27402745 Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group C2221 2014-12-30 2015-03-11 Zhang, X.,Carter, M.S.,Vetting, M.W.,San Francisco, B.,Zhao, S.,Al-Obaidi, N.F.,Solbiati, J.O.,Thiaville, J.J.,de Crecy-Lagard, V.,Jacobson, M.P.,Almo, S.C.,Gerlt, J.A. Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA 2016 113 0 0 4Y9T 27303900 CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GLUCOSAMINE 2015-02-17 2015-03-11 Yadava, U.,Vetting, M.W.,Al Obaidi, N.,Carter, M.S.,Gerlt, J.A.,Almo, S.C. Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine. Acta Crystallogr.,Sect.F 2016 72 467 472 4YHS CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BRADYRHIZOBIUM sp. BTAi1 (BBta_2440, TARGET EFI-511490) WITH BOUND BIS-TRIS 2015-02-27 2015-03-18 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BRADYRHIZOBIUM sp. BTAi1 (BBta_2440, TARGET EFI-511490) WITH BOUND BIS-TRIS To be published 0 0 0 0 4YO7 Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol 2015-03-11 2015-03-25 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol To be published 0 0 0 0 4YQY Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form 2015-03-13 2015-03-25 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028, TARGET EFI-513936) in its APO form To be published 0 0 0 0 4YQZ Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form 2015-03-13 2015-03-25 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form To be published 0 0 0 0 4S1X 25753192 Crystal structure of HA2-Del-L2seM, Central Coiled-Coil from Influenza Hemagglutinin HA2 without Heptad Repeat Stutter 2015-01-15 2015-04-01 Malashkevich, V.N.,Higgins, C.D.,Almo, S.C.,Lai, J.R. A switch from parallel to antiparallel strand orientation in a coiled-coil X-ray structure via two core hydrophobic mutations. Biopolymers 2015 104 178 185 4XFM 27402745 Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer 2014-12-27 2015-04-01 Zhang, X.,Carter, M.S.,Vetting, M.W.,San Francisco, B.,Zhao, S.,Al-Obaidi, N.F.,Solbiati, J.O.,Thiaville, J.J.,de Crecy-Lagard, V.,Jacobson, M.P.,Almo, S.C.,Gerlt, J.A. Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars. Proc.Natl.Acad.Sci.USA 2016 113 0 0 4YBI 22090477 Crystal structure of BACE with amino thiazine inhibitor LY2811376 2015-02-18 2015-04-01 May, P.C.,Dean, R.A.,Lowe, S.L.,Martenyi, F.,Sheehan, S.M.,Boggs, L.N.,Monk, S.A.,Mathes, B.M.,Mergott, D.J.,Watson, B.M.,Stout, S.L.,Timm, D.E.,Smith Labell, E.,Gonzales, C.R.,Nakano, M.,Jhee, S.S.,Yen, M.,Ereshefsky, L.,Lindstrom, T.D.,Calligaro, D.O.,Cocke, P.J.,Greg Hall, D.,Friedrich, S.,Citron, M.,Audia, J.E. Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor. J.Neurosci. 2011 31 16507 16516 4YIC CRYSTAL STRUCTURE OF A TRAP TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BORDETELLA BRONCHISEPTICA RB50 (BB0280, TARGET EFI-500035) WITH BOUND PICOLINIC ACID 2015-03-01 2015-04-01 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF A TRAP TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BORDETELLA BRONCHISEPTICA RB50 (BB0280, TARGET EFI-500035) WITH BOUND PICOLINIC ACID To be published 0 0 0 0 4YV7 CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEI_3018, TARGET EFI-511327) WITH BOUND GLYCEROL 2015-03-19 2015-04-01 Vetting, M.W.,Patskovsky, Y.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEI_3018, TARGET EFI-511327) WITH BOUND GLYCEROL To be published 0 0 0 0 4WUY 25825497 Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor 2014-11-04 2015-04-08 Nguyen, H.,Allali-Hassani, A.,Antonysamy, S.,Chang, S.,Chen, L.H.,Curtis, C.,Emtage, S.,Fan, L.,Gheyi, T.,Li, F.,Liu, S.,Martin, J.R.,Mendel, D.,Olsen, J.B.,Pelletier, L.,Shatseva, T.,Wu, S.,Zhang, F.F.,Arrowsmith, C.H.,Brown, P.J.,Campbell, R.M.,Garcia, B.A.,Barsyte-Lovejoy, D.,Mader, M.,Vedadi, M. LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem. 2015 290 13641 13653 4YS6 CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE 2015-03-16 2015-04-08 Vetting, M.W.,Patskovsky, Y.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE To be published 0 0 0 0 4RPX 25825995 Precatalytic ternary complex of Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG) and dCTP in the presence of CaCl2 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RPY 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dCTP soaked with MgCl2 for 30 s 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RPZ 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dCTP soaked with MgCl2 for 60 s 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RQ0 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dCTP soaked with MgCl2 for 80 s 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RQ1 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dCTP soaked with MgCl2 for 1hr 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RQ2 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dCTP soaked with MnCl2 for 35 s 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RQ3 25825995 Precatalytic ternary complex of Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG) and dATP in the presence of CaCl2 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RQ4 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dATP soaked with MgCl2 for 30 s 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RQ5 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dATP soaked with MgCl2 for 60 s 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RQ6 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dATP soaked with MgCl2 for 80 s 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RQ7 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dATP soaked with MgCl2 for 1hr 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4RQ8 25825995 Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dATP soaked with MnCl2 for 35 s 2014-10-31 2015-04-15 Vyas, R.,Reed, A.J.,Tokarsky, E.J.,Suo, Z. Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography. J.Am.Chem.Soc. 2015 137 5225 5230 4YLE Crystal structure of an ABC transpoter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose 2015-03-05 2015-04-15 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. Crystal structure of an ABC transporter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose To be published 0 0 0 0 4YWH CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE 2015-03-20 2015-04-15 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE To be published 0 0 0 0 4Z0N Crystal Structure of a Periplasmic Solute binding protein (IPR025997) from Streptobacillus moniliformis DSM-12112 (Smon_0317, TARGET EFI-511281) with bound D-Galactose 2015-03-26 2015-04-15 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal Structure of a Periplasmic Solute binding protein (IPR025997) from Streptobacillus moniliformis DSM-12112 (Smon_0317, TARGET EFI-511281) with bound D-Galactose To be published 0 0 0 0 4QDA Crystal structure of mutant Thioesterase PA1618 (E64A) from Pseudomonas aeruginosa 2014-05-13 2015-05-13 Latham, J.A.,Ji, T.,Matthews, K.,Allen, K.N.,Dunaway-Mariano, D. Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase To be Published 0 0 0 0 4YZZ Crystal structure of a TRAP transporter solute binding protein (IPR025997) from Bordetella bronchiseptica RB50 (BB0280, TARGET EFI-500035) mixed occupancy dimer, copurified calcium and picolinate bound active site versus apo site 2015-03-25 2015-05-20 Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a TRAP transporter solute binding protein (IPR025997) from Bordetella bronchiseptica RB50 (BB0280, TARGET EFI-500035) mixed occupancy dimer, copurified calcium and picolinate bound active site versus apo site To be published 0 0 0 0 4YL0 25961169 Crystal Structures of mPGES-1 Inhibitor Complexes 2015-03-04 2015-06-10 Luz, J.G.,Antonysamy, S.,Kuklish, S.L.,Condon, B.,Lee, M.R.,Allison, D.,Yu, X.P.,Chandrasekhar, S.,Backer, R.,Zhang, A.,Russell, M.,Chang, S.S.,Harvey, A.,Sloan, A.V.,Fisher, M.J. Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem. 2015 58 4727 4737 4YL1 25961169 Crystal Structures of mPGES-1 Inhibitor Complexes 2015-03-04 2015-06-10 Luz, J.G.,Antonysamy, S.,Kuklish, S.L.,Condon, B.,Lee, M.R.,Allison, D.,Yu, X.P.,Chandrasekhar, S.,Backer, R.,Zhang, A.,Russell, M.,Chang, S.S.,Harvey, A.,Sloan, A.V.,Fisher, M.J. Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem. 2015 58 4727 4737 4ZSM 26001341 BACE crystal structure with bicyclic aminothiazine fragment 2015-05-13 2015-06-10 Winneroski, L.L.,Schiffler, M.A.,Erickson, J.A.,May, P.C.,Monk, S.A.,Timm, D.E.,Audia, J.E.,Beck, J.P.,Boggs, L.N.,Borders, A.R.,Boyer, R.D.,Brier, R.A.,Hudziak, K.J.,Klimkowski, V.J.,Garcia Losada, P.,Mathes, B.M.,Stout, S.L.,Watson, B.M.,Mergott, D.J. Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem. 2015 23 3260 3268 4ZSP 26001341 BACE crystal structure with bicyclic aminothiazine inhibitor 2015-05-13 2015-06-10 Winneroski, L.L.,Schiffler, M.A.,Erickson, J.A.,May, P.C.,Monk, S.A.,Timm, D.E.,Audia, J.E.,Beck, J.P.,Boggs, L.N.,Borders, A.R.,Boyer, R.D.,Brier, R.A.,Hudziak, K.J.,Klimkowski, V.J.,Garcia Losada, P.,Mathes, B.M.,Stout, S.L.,Watson, B.M.,Mergott, D.J. Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem. 2015 23 3260 3268 4ZSQ 26001341 BACE crystal structure with tricyclic aminothiazine inhibitor 2015-05-13 2015-06-10 Winneroski, L.L.,Schiffler, M.A.,Erickson, J.A.,May, P.C.,Monk, S.A.,Timm, D.E.,Audia, J.E.,Beck, J.P.,Boggs, L.N.,Borders, A.R.,Boyer, R.D.,Brier, R.A.,Hudziak, K.J.,Klimkowski, V.J.,Garcia Losada, P.,Mathes, B.M.,Stout, S.L.,Watson, B.M.,Mergott, D.J. Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem. 2015 23 3260 3268 4ZSR 26001341 BACE crystal structure with tricyclic aminothiazine inhibitor 2015-05-13 2015-06-10 Winneroski, L.L.,Schiffler, M.A.,Erickson, J.A.,May, P.C.,Monk, S.A.,Timm, D.E.,Audia, J.E.,Beck, J.P.,Boggs, L.N.,Borders, A.R.,Boyer, R.D.,Brier, R.A.,Hudziak, K.J.,Klimkowski, V.J.,Garcia Losada, P.,Mathes, B.M.,Stout, S.L.,Watson, B.M.,Mergott, D.J. Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem. 2015 23 3260 3268 5BRA Crystal Structure of a putative Periplasmic Solute binding protein (IPR025997) from Ochrobactrum Anthropi ATCC49188 (Oant_2843, TARGET EFI-511085) 2015-05-30 2015-06-10 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal Structure of a putative Periplasmic Solute binding protein (IPR025997) from Ochrobactrum Anthropi ATCC49188(Oant_2843, TARGET EFI-511085) To be published 0 0 0 0 4PES Crystal structure of insulin degrading enzyme complexed with inhibitor tert-butyl [(2S)-2-(2,5-difluorophenyl)-3-(quinolin-3-yl)propyl]carbamate 2014-04-24 2015-06-17 Durham, T.B.,Toth, J.L.,Klimkowski, V.J.,Cao, J.X.C.,Siesky, A.M.,Alexander-Chacko, J.,Wu, G.Y.,Dixon, J.T.,McGee, J.E.,Wang, Y.,Guo, S.,Cavitt, R.N.,Schindler, J.,Thibodeaux, S.J.,Calvert, N.A.,Coghlan, M.J.,Sindelar, D.K.,Christe, M.,Kiselyov, V.V.,Dodson, M.,Sloop, K.W. Crystal structure of IDE complexed with an inhibitor To Be Published 0 0 0 0 4PF7 26085101 Crystal structure of insulin degrading enzyme complexed with inhibitor 2014-04-28 2015-06-17 Durham, T.B.,Toth, J.L.,Klimkowski, V.J.,Cao, J.X.,Siesky, A.M.,Alexander-Chacko, J.,Wu, G.Y.,Dixon, J.T.,McGee, J.E.,Wang, Y.,Guo, S.Y.,Cavitt, R.N.,Schindler, J.,Thibodeaux, S.J.,Calvert, N.A.,Coghlan, M.J.,Sindelar, D.K.,Christe, M.,Kiselyov, V.V.,Michael, M.D.,Sloop, K.W. Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem. 2015 290 20044 20059 4PF9 26085101 Crystal structure of insulin degrading enzyme complexed with inhibitor 2014-04-28 2015-06-17 Durham, T.B.,Toth, J.L.,Klimkowski, V.J.,Cao, J.X.,Siesky, A.M.,Alexander-Chacko, J.,Wu, G.Y.,Dixon, J.T.,McGee, J.E.,Wang, Y.,Guo, S.Y.,Cavitt, R.N.,Schindler, J.,Thibodeaux, S.J.,Calvert, N.A.,Coghlan, M.J.,Sindelar, D.K.,Christe, M.,Kiselyov, V.V.,Michael, M.D.,Sloop, K.W. Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem. 2015 290 20044 20059 4PFC 26085101 Crystal structure of insulin degrading enzyme complexed with inhibitor 2014-04-28 2015-06-17 Durham, T.B.,Toth, J.L.,Klimkowski, V.J.,Cao, J.X.,Siesky, A.M.,Alexander-Chacko, J.,Wu, G.Y.,Dixon, J.T.,McGee, J.E.,Wang, Y.,Guo, S.Y.,Cavitt, R.N.,Schindler, J.,Thibodeaux, S.J.,Calvert, N.A.,Coghlan, M.J.,Sindelar, D.K.,Christe, M.,Kiselyov, V.V.,Michael, M.D.,Sloop, K.W. Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem. 2015 290 20044 20059 4RSP 26055715 X-ray structure of MERS-CoV nsp5 protease bound with a designed inhibitor 2014-11-10 2015-06-17 Tomar, S.,Johnston, M.L.,St John, S.E.,Osswald, H.L.,Nyalapatla, P.R.,Paul, L.N.,Ghosh, A.K.,Denison, M.R.,Mesecar, A.D. Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS. J.Biol.Chem. 2015 290 19403 19422 4ZJR 26048806 RORgamma in complex with inverse agonist 48 2015-04-29 2015-06-17 Chao, J.,Enyedy, I.,Van Vloten, K.,Marcotte, D.,Guertin, K.,Hutchings, R.,Powell, N.,Jones, H.,Bohnert, T.,Peng, C.C.,Silvian, L.,Hong, V.S.,Little, K.,Banerjee, D.,Peng, L.,Taveras, A.,Viney, J.L.,Fontenot, J. Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists. Bioorg.Med.Chem.Lett. 2015 25 2991 2997 4ZJW 26048806 RORgamma in complex with inverse agonist 16 2015-04-29 2015-06-17 Chao, J.,Enyedy, I.,Van Vloten, K.,Marcotte, D.,Guertin, K.,Hutchings, R.,Powell, N.,Jones, H.,Bohnert, T.,Peng, C.C.,Silvian, L.,Hong, V.S.,Little, K.,Banerjee, D.,Peng, L.,Taveras, A.,Viney, J.L.,Fontenot, J. Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists. Bioorg.Med.Chem.Lett. 2015 25 2991 2997 4ZOM 26048789 RORgamma in complex with inverse agonist 4j. 2015-05-06 2015-06-17 Wang, T.,Banerjee, D.,Bohnert, T.,Chao, J.,Enyedy, I.,Fontenot, J.,Guertin, K.,Jones, H.,Lin, E.Y.,Marcotte, D.,Talreja, T.,Van Vloten, K. Discovery of novel pyrazole-containing benzamides as potent ROR gamma inverse agonists. Bioorg.Med.Chem.Lett. 2015 25 2985 2990 4ZRT 24359314 PTP1BC215S bound to Nephrin peptide substrate 2015-05-12 2015-06-24 Selner, N.G.,Luechapanichkul, R.,Chen, X.,Neel, B.G.,Zhang, Z.Y.,Knapp, S.,Bell, C.E.,Pei, D. Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases. Biochemistry 2014 53 397 412 4YL3 25961169 Crystal Structures of mPGES-1 Inhibitor Complexes 2015-03-04 2015-07-08 Luz, J.G.,Antonysamy, S.,Kuklish, S.L.,Condon, B.,Lee, M.R.,Allison, D.,Yu, X.P.,Chandrasekhar, S.,Backer, R.,Zhang, A.,Russell, M.,Chang, S.S.,Harvey, A.,Sloan, A.V.,Fisher, M.J. Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem. 2015 58 4727 4737 4ZQ8 Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129 2015-05-08 2015-07-08 Toro, R.,Bhosle, R.,Vetting, M.W.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Sojitra, S.,Stead, M.,Washington, E.,Scott Glenn, A.,Chowdhury, S.,Evans, B.,Hillerich, B.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Poulter, C.D.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129 To be published 0 0 0 0 4YK5 25961169 Crystal Structures of mPGES-1 Inhibitor Complexes 2015-03-04 2015-07-15 Luz, J.G.,Antonysamy, S.,Kuklish, S.L.,Condon, B.,Lee, M.R.,Allison, D.,Yu, X.P.,Chandrasekhar, S.,Backer, R.,Zhang, A.,Russell, M.,Chang, S.S.,Harvey, A.,Sloan, A.V.,Fisher, M.J. Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem. 2015 58 4727 4737 5CI5 Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose 2015-07-11 2015-07-22 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose To be published 0 0 0 0 5CM6 CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOALTEROMONAS ATLANTICA T6c(Patl_2292, TARGET EFI-510180) WITH BOUND SODIUM AND PYRUVATE 2015-07-16 2015-07-29 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C. CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOALTEROMONAS ATLANTICA T6c(Patl_2292, TARGET EFI-510180) WITH BOUND SODIUM AND PYRUVATE To be published 0 0 0 0 4X24 25806409 Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A 2014-11-25 2015-08-19 Thomas, K.,Cameron, S.A.,Almo, S.C.,Burgos, E.S.,Gulab, S.A.,Schramm, V.L. Active site and remote contributions to catalysis in methylthioadenosine nucleosidases. Biochemistry 2015 54 2520 2529 4YML 26260335 Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3S,4R)-methylthio-DADMe-Immucillin-A 2015-03-06 2015-08-26 Evans, G.B.,Cameron, S.A.,Luxenburger, A.,Guan, R.,Suarez, J.,Thomas, K.,Schramm, V.L.,Tyler, P.C. Tight binding enantiomers of pre-clinical drug candidates. Bioorg.Med.Chem. 2015 23 5326 5333 5CNI 26313429 mGlu2 with Glutamate 2015-07-17 2015-09-09 Monn, J.A.,Prieto, L.,Taboada, L.,Hao, J.,Reinhard, M.R.,Henry, S.S.,Beadle, C.D.,Walton, L.,Man, T.,Rudyk, H.,Clark, B.,Tupper, D.,Baker, S.R.,Lamas, C.,Montero, C.,Marcos, A.,Blanco, J.,Bures, M.,Clawson, D.K.,Atwell, S.,Lu, F.,Wang, J.,Russell, M.,Heinz, B.A.,Wang, X.,Carter, J.H.,Getman, B.G.,Catlow, J.T.,Swanson, S.,Johnson, B.G.,Shaw, D.B.,McKinzie, D.L. Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem. 2015 58 7526 7548 5CNJ 26313429 mGlur2 with glutamate analog 2015-07-17 2015-09-09 Monn, J.A.,Prieto, L.,Taboada, L.,Hao, J.,Reinhard, M.R.,Henry, S.S.,Beadle, C.D.,Walton, L.,Man, T.,Rudyk, H.,Clark, B.,Tupper, D.,Baker, S.R.,Lamas, C.,Montero, C.,Marcos, A.,Blanco, J.,Bures, M.,Clawson, D.K.,Atwell, S.,Lu, F.,Wang, J.,Russell, M.,Heinz, B.A.,Wang, X.,Carter, J.H.,Getman, B.G.,Catlow, J.T.,Swanson, S.,Johnson, B.G.,Shaw, D.B.,McKinzie, D.L. Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem. 2015 58 7526 7548 5CNK 26313429 mglur3 with glutamate 2015-07-17 2015-09-09 Monn, J.A.,Prieto, L.,Taboada, L.,Hao, J.,Reinhard, M.R.,Henry, S.S.,Beadle, C.D.,Walton, L.,Man, T.,Rudyk, H.,Clark, B.,Tupper, D.,Baker, S.R.,Lamas, C.,Montero, C.,Marcos, A.,Blanco, J.,Bures, M.,Clawson, D.K.,Atwell, S.,Lu, F.,Wang, J.,Russell, M.,Heinz, B.A.,Wang, X.,Carter, J.H.,Getman, B.G.,Catlow, J.T.,Swanson, S.,Johnson, B.G.,Shaw, D.B.,McKinzie, D.L. Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem. 2015 58 7526 7548 5CNM 26313429 mGluR3 complexed with glutamate analog 2015-07-17 2015-09-09 Monn, J.A.,Prieto, L.,Taboada, L.,Hao, J.,Reinhard, M.R.,Henry, S.S.,Beadle, C.D.,Walton, L.,Man, T.,Rudyk, H.,Clark, B.,Tupper, D.,Baker, S.R.,Lamas, C.,Montero, C.,Marcos, A.,Blanco, J.,Bures, M.,Clawson, D.K.,Atwell, S.,Lu, F.,Wang, J.,Russell, M.,Heinz, B.A.,Wang, X.,Carter, J.H.,Getman, B.G.,Catlow, J.T.,Swanson, S.,Johnson, B.G.,Shaw, D.B.,McKinzie, D.L. Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem. 2015 58 7526 7548 5CPC 26299973 Crystal structure of SopD, a type III secreted virulence effector from Salmonella enterica 2015-07-21 2015-09-09 D'Costa, V.M.,Braun, V.,Landekic, M.,Shi, R.,Proteau, A.,McDonald, L.,Cygler, M.,Grinstein, S.,Brumell, J.H. Salmonella Disrupts Host Endocytic Trafficking by SopD2-Mediated Inhibition of Rab7. Cell Rep 2015 12 1508 1518 4RZR 26327169 Bypass of a bulky adduct dG1,8 by DPO4 2014-12-23 2015-09-16 Vyas, R.,Efthimiopoulos, G.,Tokarsky, E.J.,Malik, C.K.,Basu, A.K.,Suo, Z. Mechanistic Basis for the Bypass of a Bulky DNA Adduct Catalyzed by a Y-Family DNA Polymerase. J.Am.Chem.Soc. 2015 137 12131 12142 5DM3 Crystal Structure of Glutamine Synthetase from Chromohalobacter salexigens DSM 3043(Csal_0679, TARGET EFI-550015) with bound ADP 2015-09-07 2015-09-16 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal Structure of Glutamine Synthetase from Chromohalobacter salexigens DSM 3043(Csal_0679, TARGET EFI-550015) with bound ADP To be published 0 0 0 0 5DKV Crystal Structure of an ABC transporter Solute Binding Protein from Agrobacterium vitis(Avis_5339, TARGET EFI-511225) bound with alpha-D-Tagatopyranose 2015-09-04 2015-09-30 Yadava, U.,Al Obaidi, N.F.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal Structure of an ABC transporter Solute Binding Protein from Agrobacterium vitis(Avis_5339, TARGET EFI-511225) bound with alpha-D-Tagatopyranose To be published 0 0 0 0 5DTE Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose 2015-09-18 2015-10-07 Yadava, U.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal Structure of an ABC transporter periplasmic solute binding protein (IPR025997) from Actinobacillus succinogenes 130z(Asuc_0081, TARGET EFI-511065) with bound D-allose To be published 0 0 0 0 5DMH Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP. 2015-09-08 2015-10-28 Vetting, M.W.,Al Obaidi, N.F.,Morisco, L.L.,Benach, J.,Wasserman, S.R.,Attonito, J.D.,Chamala, S.,Chowdhury, S.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP. To be published 0 0 0 0 5E56 Crystal structure of mouse CTLA-4 2015-10-07 2015-10-28 Fedorov, A.A.,Fedorov, E.V.,SAMANTA, D.,Bonanno, J.B.,Almo, S.C. Crystal structure of mouse CTLA-4 To Be Published 0 0 0 0 5DK6 CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH) NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION 2015-09-03 2015-11-04 Himmel, D.M.,Bhosle, R.,Toro, R.,Ahmed, M.,Hillerich, B.,Gizzi, A.,Garforth, S.,Kar, A.,Chan, M.K.,Lafluer, J.,Patel, H.,Matikainen, B.,Chamala, S.,Lim, S.,Celikgil, A.,Villegas, G.,Evans, B.,Love, J.,Fiser, A.,Seidel, R.D.,Bonanno, J.B.,Almo, S.C.,New York Structural Genomics Research Consortium (NYSGRC) CRYSTAL STRUCTURE OF A 5'-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE (MTA/SAH)NUCLEOSIDASE (MTAN) FROM COLWELLIA PSYCHRERYTHRAEA 34H (CPS_4743, TARGET PSI-029300) IN COMPLEX WITH ADENINE AT 2.27 A RESOLUTION To be published 0 0 0 0 5CJ6 26683992 Crystal Structure of a Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor 2015-07-14 2016-01-06 Saeed, A.,Vaught, G.M.,Gavardinas, K.,Matthews, D.,Green, J.E.,Losada, P.G.,Bullock, H.A.,Calvert, N.A.,Patel, N.J.,Sweetana, S.A.,Krishnan, V.,Henck, J.W.,Luz, J.G.,Wang, Y.,Jadhav, P. 2-Chloro-4-[[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrile: A Transdermal Selective Androgen Receptor Modulator (SARM) for Muscle Atrophy. J.Med.Chem. 2016 59 750 755 5CGS 26525784 CRYSTAL STRUCTURE OF Fox-4 cephamycinase 2015-07-09 2016-02-03 Lefurgy, S.T.,Malashkevich, V.N.,Aguilan, J.T.,Nieves, E.,Mundorff, E.C.,Biju, B.,Noel, M.A.,Toro, R.,Baiwir, D.,Papp-Wallace, K.M.,Almo, S.C.,Frere, J.M.,Bou, G.,Bonomo, R.A. FOX-4 cephamycinase: an analysis of structure and function. Antimicrob.Agents Chemother. 2015 0 0 0 5CGW 26525784 CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F 2015-07-09 2016-02-03 Lefurgy, S.T.,Malashkevich, V.N.,Aguilan, J.T.,Nieves, E.,Mundorff, E.C.,Biju, B.,Noel, M.A.,Toro, R.,Baiwir, D.,Papp-Wallace, K.M.,Almo, S.C.,Frere, J.M.,Bou, G.,Bonomo, R.A. FOX-4 cephamycinase: an analysis of structure and function. Antimicrob.Agents Chemother. 2015 0 0 0 5CGX 26525784 CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F complexed with cefoxitin 2015-07-09 2016-02-03 Lefurgy, S.T.,Malashkevich, V.N.,Aguilan, J.T.,Nieves, E.,Mundorff, E.C.,Biju, B.,Noel, M.A.,Toro, R.,Baiwir, D.,Papp-Wallace, K.M.,Almo, S.C.,Frere, J.M.,Bou, G.,Bonomo, R.A. FOX-4 cephamycinase: an analysis of structure and function. Antimicrob.Agents Chemother. 2015 0 0 0 5HKO Crystal structure of ABC transporter Solute Binding Protein MSMEG_3598 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with L-sorbitol 2016-01-14 2016-02-03 Roth, Y.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of ABC transporter Solute Binding Protein MSMEG_3598 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with L-sorbitol To be published 0 0 0 0 5HFK CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE 2016-01-07 2016-02-10 Himmel, D.M.,Toro, R.,Al Obaidi, N.F.,Morisco, L.L.,Wasserman, S.R.,Stead, M.,Attonito, J.D.,Scott Glenn, A.,Chamala, S.,Chowdhury, S.,Lafleur, J.,Evans, B.,Hillerich, B.,Love, J.,Seidel, R.D.,Whalen, K.L.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM ESCHERICHIA COLI OCh 157:H7 STR. SAKAI (ECs3186, TARGET EFI-507414) WITH BOUND GLUTATHIONE TO BE PUBLISHED 0 0 0 0 4XO6 26929402 Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one 2015-01-16 2016-02-17 Zhang, B.,Hu, X.J.,Wang, X.Q.,Theriault, J.F.,Zhu, D.W.,Shang, P.,Labrie, F.,Lin, S.X. Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth. Biochem.J. 2016 473 1037 1046 4XO7 26929402 Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one 2015-01-16 2016-02-17 Zhang, B.,Hu, X.J.,Wang, X.Q.,Theriault, J.F.,Zhu, D.W.,Shang, P.,Labrie, F.,Lin, S.X. Human 3 alpha-hydroxysteroid dehydrogenase type 3: structural clues of 5 alpha-DHT reverse binding and enzyme down-regulation decreasing MCF7 cell growth. Biochem.J. 2016 473 1037 1046 5EBT 26546219 Tankyrase 1 with Phthalazinone 2 2015-10-19 2016-03-02 Johannes, J.W.,Almeida, L.,Daly, K.,Ferguson, A.D.,Grosskurth, S.E.,Guan, H.,Howard, T.,Ioannidis, S.,Kazmirski, S.,Lamb, M.L.,Larsen, N.A.,Lyne, P.D.,Mikule, K.,Ogoe, C.,Peng, B.,Petteruti, P.,Read, J.A.,Su, N.,Sylvester, M.,Throner, S.,Wang, W.,Wang, X.,Wu, J.,Ye, Q.,Yu, Y.,Zheng, X.,Scott, D.A. Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett. 2015 25 5743 5747 5HQJ Crystal structure of ABC transporter Solute Binding Protein B1G1H7 from Burkholderia graminis C4D1M, target EFI-511179, in complex with D-arabinose 2016-01-21 2016-03-02 Roth, Y.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of ABC transporter Solute Binding Protein B1G1H7 from Burkholderia graminis C4D1M, target EFI-511179, in complex with D-arabinose To be published 0 0 0 0 5HSG Crystal structure of an ABC transporter Solute Binding Protein from Klebsiella pneumoniae (KPN_01730, target EFI-511059), APO open structure 2016-01-25 2016-03-02 Roth, Y.,Vetting, M.W.,Al Obaidi, N.F.,Toro, R.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an ABC transporter Solute Binding Protein from Klebsiella pneumoniae (KPN_01730, target EFI-511059), APO open structure To be published 0 0 0 0 5IAI Crystal structure of ABC transporter Solute Binding Protein Arad_9887 from Agrobacterium radiobacter K84, target EFI-510945 in complex with Ribitol 2016-02-21 2016-03-09 Vetting, M.W.,Bonanno, J.B.,Al Obaidi, N.F.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of ABC transporter Solute Binding Protein Arad_9887 from Agrobacterium radiobacter K84, target EFI-510945 in complex with Ribitol To be published 0 0 0 0 5IM2 Crystal structure of a TRAP solute binding protein from Rhodoferax ferrireducens T118 (Rfer_2570, TARGET EFI-510210) in complex with copurified benzoate 2016-03-05 2016-03-23 Vetting, M.W.,Al Obaidi, N.F.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of a TRAP solute binding protein from Rhodoferax ferrireducens T118 (Rfer_2570, TARGET EFI-510210) in complex with copurified benzoate To be published 0 0 0 0 5DI8 26996964 Fc Knob-Hole Heterodimer T366W + T366S/L368A/Y407V 2015-08-31 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DJ6 26996964 Fc Heterodimer Design 6.1 F405W/Y407A + T366M 2015-09-01 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DJ8 26996964 Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I 2015-09-01 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DJA 26996964 Fc Heterodimer Design 9.1 Y407M + T366I 2015-09-01 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DJC 26996964 Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F 2015-09-01 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DJD 26996964 Fc Heterodimer Design 5.1 T366V + Y407F 2015-09-02 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DJX 26996964 Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G 2015-09-02 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DJY 26996964 Fc Heterodimer Design 20.8 Y349S/T366V/K370Y/K409V + E357D/S364Q/Y407A 2015-09-02 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DJZ 26996964 Fc Heterodimer Design 7.8 D399M/Y407A + T366V/K409V 2015-09-02 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DK0 26996964 Fc Heterodimer Design 20.8.34 Y349S/T366M/K370Y/K409V + E356G/E357D/S364Q/Y407A 2015-09-02 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DK2 26996964 Fc Heterodimer E356K/D399K + K392D/K409D 2015-09-02 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DVK 26996964 Fc Design 7.7 B chain homodimer T366V/K409I 2015-09-21 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DVL 26996964 Fc Design 20.8.37 A chain homodimer Y349S/T366M/K370Y/K409V 2015-09-21 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DVM 26996964 Fc Design 20.8.37 B chain homodimer E357D/S364R/Y407A 2015-09-21 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DVN 26996964 Fc K392D/K409D homodimer 2015-09-21 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5DVO 26996964 Fc K392D/K409D homodimer 2015-09-21 2016-03-30 Leaver-Fay, A.,Froning, K.J.,Atwell, S.,Aldaz, H.,Pustilnik, A.,Lu, F.,Huang, F.,Yuan, R.,Hassanali, S.,Chamberlain, A.K.,Fitchett, J.R.,Demarest, S.J.,Kuhlman, B. Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure 2016 24 641 651 5IET 27001842 Crystal Structure of Mycobacterium Tuberculosis ATP-independent Proteasome activator 2016-02-25 2016-03-30 Bai, L.,Hu, K.,Wang, T.,Jastrab, J.B.,Darwin, K.H.,Li, H. Structural analysis of the dodecameric proteasome activator PafE in Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA 2016 113 0 0 5BQG 26653180 Crystal Structure of mPGES-1 Bound to an Inhibitor 2015-05-29 2016-04-13 Schiffler, M.A.,Antonysamy, S.,Bhattachar, S.N.,Campanale, K.M.,Chandrasekhar, S.,Condon, B.,Desai, P.V.,Fisher, M.J.,Groshong, C.,Harvey, A.,Hickey, M.J.,Hughes, N.E.,Jones, S.A.,Kim, E.J.,Kuklish, S.L.,Luz, J.G.,Norman, B.H.,Rathmell, R.E.,Rizzo, J.R.,Seng, T.W.,Thibodeaux, S.J.,Woods, T.A.,York, J.S.,Yu, X.P. Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem. 2016 59 194 205 5BQH 26653180 Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain 2015-05-29 2016-04-13 Schiffler, M.A.,Antonysamy, S.,Bhattachar, S.N.,Campanale, K.M.,Chandrasekhar, S.,Condon, B.,Desai, P.V.,Fisher, M.J.,Groshong, C.,Harvey, A.,Hickey, M.J.,Hughes, N.E.,Jones, S.A.,Kim, E.J.,Kuklish, S.L.,Luz, J.G.,Norman, B.H.,Rathmell, R.E.,Rizzo, J.R.,Seng, T.W.,Thibodeaux, S.J.,Woods, T.A.,York, J.S.,Yu, X.P. Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem. 2016 59 194 205 5BQI 26653180 Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain 2015-05-29 2016-04-13 Schiffler, M.A.,Antonysamy, S.,Bhattachar, S.N.,Campanale, K.M.,Chandrasekhar, S.,Condon, B.,Desai, P.V.,Fisher, M.J.,Groshong, C.,Harvey, A.,Hickey, M.J.,Hughes, N.E.,Jones, S.A.,Kim, E.J.,Kuklish, S.L.,Luz, J.G.,Norman, B.H.,Rathmell, R.E.,Rizzo, J.R.,Seng, T.W.,Thibodeaux, S.J.,Woods, T.A.,York, J.S.,Yu, X.P. Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem. 2016 59 194 205 5IBQ Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose 2016-02-22 2016-04-20 Vetting, M.W.,Carter, M.S.,Al Obaidi, N.F.,Morisco, L.L.,Benach, J.,Koss, J.,Wasserman, S.R.,Gerlt, J.A.,Almo, S.C.,Enzyme Function Initiative (EFI) Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose To be published 0 0 0 0 5EJV 27080181 RORy in complex with T090131718 and Coactivator peptide EBI96 2015-11-02 2016-04-27 Enyedy, I.J.,Powell, N.A.,Caravella, J.,van Vloten, K.,Chao, J.,Banerjee, D.,Marcotte, D.,Silvian, L.,McKenzie, A.,Hong, V.S.,Fontenot, J.D. Discovery of biaryls as ROR gamma inverse agonists by using structure-based design. Bioorg.Med.Chem.Lett. 2016 26 2459 2463 5ETH 27080181 RORy in complex with inverse agonist 3. 2015-11-17 2016-04-27 Enyedy, I.J.,Powell, N.A.,Caravella, J.,van Vloten, K.,Chao, J.,Banerjee, D.,Marcotte, D.,Silvian, L.,McKenzie, A.,Hong, V.S.,Fontenot, J.D. Discovery of biaryls as ROR gamma inverse agonists by using structure-based design. Bioorg.Med.Chem.Lett. 2016 26 2459 2463 5INJ 28166207 Crystal Structure of Prenyltransferase PriB Ternary Complex with L-Tryptophan and Dimethylallyl thiolodiphosphate (DMSPP) 2016-03-07 2016-05-11 Elshahawi, S.I.,Cao, H.,Shaaban, K.A.,Ponomareva, L.V.,Subramanian, T.,Farman, M.L.,Spielmann, H.P.,Phillips, G.N.,Thorson, J.S.,Singh, S. Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol. 2017 13 366 368 5ESR 26833751 Crystal structure of haloalkane dehalogenase (DccA) from Caulobacter crescentus 2015-11-17 2016-06-01 Carlucci, L.,Zhou, E.,Malashkevich, V.N.,Almo, S.C.,Mundorff, E.C. Biochemical characterization of two haloalkane dehalogenases: DccA from Caulobacter crescentus and DsaA from Saccharomonospora azurea. Protein Sci. 2016 25 877 886 5JXM 28166207 Crystal Structure of Prenyltransferase PriB Apo Form 2016-05-13 2016-06-08 Elshahawi, S.I.,Cao, H.,Shaaban, K.A.,Ponomareva, L.V.,Subramanian, T.,Farman, M.L.,Spielmann, H.P.,Phillips, G.N.,Thorson, J.S.,Singh, S. Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol. 2017 13 366 368 5IXK 27246200 RORgamma in complex with inverse agonist BIO399. 2016-03-23 2016-06-15 Marcotte, D.J.,Liu, Y.,Little, K.,Jones, J.H.,Powell, N.A.,Wildes, C.P.,Silvian, L.F.,Chodaparambil, J.V. Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand. Bmc Struct.Biol. 2016 16 7 7 5IZ0 27246200 RORgamma in complex with agonist BIO592 and Coactivator EBI96 2016-03-24 2016-06-15 Marcotte, D.J.,Liu, Y.,Little, K.,Jones, J.H.,Powell, N.A.,Wildes, C.P.,Silvian, L.F.,Chodaparambil, J.V. Structural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand. Bmc Struct.Biol. 2016 16 7 7 5K9M 28166207 Crystal Structure of PriB Binary Complex with Product Diphosphate 2016-06-01 2016-06-15 Elshahawi, S.I.,Cao, H.,Shaaban, K.A.,Ponomareva, L.V.,Subramanian, T.,Farman, M.L.,Spielmann, H.P.,Phillips, G.N.,Thorson, J.S.,Singh, S. Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol. 2017 13 366 368 5K13 27261179 Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist 2016-05-17 2016-06-22 Hughes, N.E.,Bleisch, T.J.,Jones, S.A.,Richardson, T.I.,Doti, R.A.,Wang, Y.,Stout, S.L.,Durst, G.L.,Chambers, M.G.,Oskins, J.L.,Lin, C.,Adams, L.A.,Page, T.J.,Barr, R.J.,Zink, R.W.,Osborne, H.,Montrose-Rafizadeh, C.,Norman, B.H. Identification of potent and selective retinoic acid receptor gamma (RAR gamma ) antagonists for the treatment of osteoarthritis pain using structure based drug design. Bioorg.Med.Chem.Lett. 2016 26 3274 3277 5CHJ 32349291 CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with cephalothin BATSI (SM23) 2015-07-10 2016-08-03 Lefurgy, S.T.,Caselli, E.,Taracila, M.A.,Malashkevich, V.N.,Biju, B.,Papp-Wallace, K.M.,Bonanno, J.B.,Prati, F.,Almo, S.C.,Bonomo, R.A. Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors. Biomolecules 2020 10 0 0 5CHM 32349291 CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with ceftazidime BATSI (LP06) 2015-07-10 2016-08-03 Lefurgy, S.T.,Caselli, E.,Taracila, M.A.,Malashkevich, V.N.,Biju, B.,Papp-Wallace, K.M.,Bonanno, J.B.,Prati, F.,Almo, S.C.,Bonomo, R.A. Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors. Biomolecules 2020 10 0 0 5CHU CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with sulfate 2015-07-10 2016-08-03 Malashkevich, V.N.,Toro, R.,Lefurgy, S.,Almo, S.C. CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with sulfate To Be Published 0 0 0 0 4RZW Crystal structure of BRAF (R509H) kinase domain bound to AZ628 2014-12-24 2016-08-10 Karoulia, Z.,Wu, Y.,Ahmed, T.A.,Qisheng, X.,Bollard, J.,Krepler, C.,Wu, X.,Zhang, C.,Bollag, G.,Herlym, M.,Fagin, J.A.,Lujambio, A.,Gavathiotis, E.,Poulikakos, P.I. An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling Cancer Cell 2016 30 1 14 5CJP 27524202 The Structural Basis for Cdc42-Induced Dimerization of IQGAPs 2015-07-14 2016-08-10 LeCour, L.,Boyapati, V.K.,Liu, J.,Li, Z.,Sacks, D.B.,Worthylake, D.K. The Structural Basis for Cdc42-Induced Dimerization of IQGAPs. Structure 2016 24 1499 1508 5ITA Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM 2016-03-16 2016-08-10 Karoulia, Z.,Wu, Y.,Ahmed, T.A.,Qisheng, X.,Bollard, J.,Krepler, C.,Wu, X.,Zhang, C.,Bollag, G.,Herlym, M.,Fagin, J.A.,Lujambio, A.,Gavathiotis, E.,Poulikakos, P.I. An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling Cancer Cell 2016 30 1 14 5L0B 27660691 Crystal Structure of Autotaxin and Compound 1 2016-07-27 2016-08-10 Jones, S.B.,Pfeifer, L.A.,Bleisch, T.J.,Beauchamp, T.J.,Durbin, J.D.,Klimkowski, V.J.,Hughes, N.E.,Rito, C.J.,Dao, Y.,Gruber, J.M.,Bui, H.,Chambers, M.G.,Chandrasekhar, S.,Lin, C.,McCann, D.J.,Mudra, D.R.,Oskins, J.L.,Swearingen, C.A.,Thirunavukkarasu, K.,Norman, B.H. Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design. Acs Med.Chem.Lett. 2016 7 857 861 5L0E 27660691 Crystal Structure of Autotaxin and Compound 1 2016-07-27 2016-08-10 Jones, S.B.,Pfeifer, L.A.,Bleisch, T.J.,Beauchamp, T.J.,Durbin, J.D.,Klimkowski, V.J.,Hughes, N.E.,Rito, C.J.,Dao, Y.,Gruber, J.M.,Bui, H.,Chambers, M.G.,Chandrasekhar, S.,Lin, C.,McCann, D.J.,Mudra, D.R.,Oskins, J.L.,Swearingen, C.A.,Thirunavukkarasu, K.,Norman, B.H. Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design. Acs Med.Chem.Lett. 2016 7 857 861 5KN5 27543934 TGFalpha/Epiregulin complex with neutralizing antibody LY3016859 2016-06-27 2016-08-31 Boyles, J.S.,Atwell, S.,Druzina, Z.,Heuer, J.G.,Witcher, D.R. Structural basis of selectivity and neutralizing activity of a TGF alpha /epiregulin specific antibody. Protein Sci. 2016 25 2028 2036 5L19 27806260 Crystal Structure of a human FasL mutant 2016-07-28 2016-09-07 Liu, W.,Ramagopal, U.,Cheng, H.,Bonanno, J.B.,Toro, R.,Bhosle, R.,Zhan, C.,Almo, S.C. Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3. Structure 2016 24 2016 2023 5L36 27806260 Crystal Structure of a human FasL mutant in complex with human DcR3 2016-08-03 2016-09-07 Liu, W.,Ramagopal, U.,Cheng, H.,Bonanno, J.B.,Toro, R.,Bhosle, R.,Zhan, C.,Almo, S.C. Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3. Structure 2016 24 2016 2023 5ETJ 26927977 Crystal structure of purine nucleoside phosphorylase (E258D, L261A) mutant from human complexed with DADMe-ImmG and phosphate 2015-11-17 2016-09-14 Zoi, I.,Suarez, J.,Antoniou, D.,Cameron, S.A.,Schramm, V.L.,Schwartz, S.D. Modulating Enzyme Catalysis through Mutations Designed to Alter Rapid Protein Dynamics. J.Am.Chem.Soc. 2016 138 3403 3409 5K0I 27554445 mpges1 bound to an inhibitor 2016-05-17 2016-09-14 Kuklish, S.L.,Antonysamy, S.,Bhattachar, S.N.,Chandrasekhar, S.,Fisher, M.J.,Fretland, A.J.,Gooding, K.,Harvey, A.,Hughes, N.E.,Luz, J.G.,Manninen, P.R.,McGee, J.E.,Navarro, A.,Norman, B.H.,Partridge, K.M.,Quimby, S.J.,Schiffler, M.A.,Sloan, A.V.,Warshawsky, A.M.,York, J.S.,Yu, X.P. Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors. Bioorg.Med.Chem.Lett. 2016 26 4824 4828 5KEI 27566542 Mycobacterium smegmatis MbtA apo structure 2016-06-09 2016-09-14 Vergnolle, O.,Xu, H.,Tufariello, J.M.,Favrot, L.,Malek, A.A.,Jacobs, W.R.,Blanchard, J.S. Post-translational Acetylation of MbtA Modulates Mycobacterial Siderophore Biosynthesis. J.Biol.Chem. 2016 291 22315 22326 5T57 Crystal Structure of a Semialdehyde dehydrogenase NAD-binding Protein from Cupriavidus necator in Complex with Calcium and NAD 2016-08-30 2016-09-14 Cook, W.J.,Fedorov, A.A.,Fedorov, E.V.,Huang, H.,Bonanno, J.B.,Gerlt, J.A.,Almo, S.C. Crystal Structure of a Semialdehyde dehydrogenase NAD-binding Protein from Cupriavidus necator in Complex with Calcium and NAD To be published 0 0 0 0 5E5M Crystal structure of mouse CTLA-4 in complex with nanobody 2015-10-08 2016-10-12 Fedorov, A.A.,Fedorov, E.V.,Samanta, D.,Bonanno, J.B.,Almo, S.C. Crystal structure of mouse CTLA-4 in complex with nanobody To Be Published 0 0 0 0 5E9A 26145832 Crystal structure analysis of the cold-adamped beta-galactosidase from Rahnella sp. R3 2015-10-14 2016-10-26 Fan, Y.,Hua, X.,Zhang, Y.,Feng, Y.,Shen, Q.,Dong, J.,Zhao, W.,Zhang, W.,Jin, Z.,Yang, R. Cloning, expression and structural stability of a cold-adapted beta-galactosidase from Rahnella sp. R3. Protein Expr.Purif. 2015 115 158 164 5J5T 27727493 GLK co-crystal structure with aminopyrrolopyrimidine inhibitor 2016-04-03 2016-10-26 Marcotte, D.,Rushe, M.,M Arduini, R.,Lukacs, C.,Atkins, K.,Sun, X.,Little, K.,Cullivan, M.,Paramasivam, M.,Patterson, T.A.,Hesson, T.,D McKee, T.,May-Dracka, T.L.,Xin, Z.,Bertolotti-Ciarlet, A.,Bhisetti, G.R.,Lyssikatos, J.P.,Silvian, L.F. Germinal-center kinase-like kinase co-crystal structure reveals a swapped activation loop and C-terminal extension. Protein Sci. 2017 26 152 162 5TNV Crystal Structure of a Xylose isomerase-like TIM barrel Protein from Mycobacterium smegmatis in Complex with Magnesium 2016-10-14 2016-11-09 Cook, W.J.,Fedorov, A.A.,Fedorov, E.V.,Huang, H.,Bonanno, J.B.,Gerlt, J.A.,Almo, S.C. Crystal Structure of a Xylose isomerase-like TIM barrel Protein from Mycobacterium smegmatis in Complex with Magnesium To Be Published 0 0 0 0 5KNJ 27832137 Pseudokinase Domain of MLKL bound to Compound 1. 2016-06-28 2016-11-16 Ma, B.,Marcotte, D.,Paramasivam, M.,Michelsen, K.,Wang, T.,Bertolotti-Ciarlet, A.,Jones, J.H.,Moree, B.,Butko, M.,Salafsky, J.,Sun, X.,McKee, T.,Silvian, L.F. ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis. Plos One 2016 11 0 0 5KO1 27832137 Pseudokinase Domain of MLKL bound to Compound 4. 2016-06-29 2016-11-16 Ma, B.,Marcotte, D.,Paramasivam, M.,Michelsen, K.,Wang, T.,Bertolotti-Ciarlet, A.,Jones, J.H.,Moree, B.,Butko, M.,Salafsky, J.,Sun, X.,McKee, T.,Silvian, L.F. ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis. Plos One 2016 11 0 0 5TRD Structure of RbkR (Riboflavin Kinase) from Thermoplasma acidophilum determined in complex with CTP and its cognate DNA operator 2016-10-26 2016-11-23 Vetting, M.W.,Rodionova, I.A.,Li, X.,Osterman, A.L.,Rodionov, D.A.,Almo, S.C. Structure of RbkR (Riboflavin Kinase) from Thermoplasma acidophilum determined in complex with CTP and its cognate DNA operator To be published 0 0 0 0 5EUB Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate 2015-11-18 2016-12-21 Firestone, R.S.,Cameron, S.A.,Tyler, P.C.,Schramm, V.L. Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate To be published 0 0 0 0 5KZN 28002967 Metabotropic Glutamate Receptor 2016-07-25 2016-12-28 Chappell, M.D.,Li, R.,Smith, S.C.,Dressman, B.A.,Tromiczak, E.G.,Tripp, A.E.,Blanco, M.J.,Vetman, T.,Quimby, S.J.,Matt, J.,Britton, T.C.,Fivush, A.M.,Schkeryantz, J.M.,Mayhugh, D.,Erickson, J.A.,Bures, M.G.,Jaramillo, C.,Carpintero, M.,Diego, J.E.,Barberis, M.,Garcia-Cerrada, S.,Soriano, J.F.,Antonysamy, S.,Atwell, S.,MacEwan, I.,Condon, B.,Sougias, C.,Wang, J.,Zhang, A.,Conners, K.,Groshong, C.,Wasserman, S.R.,Koss, J.W.,Witkin, J.M.,Li, X.,Overshiner, C.,Wafford, K.A.,Seidel, W.,Wang, X.S.,Heinz, B.A.,Swanson, S.,Catlow, J.T.,Bedwell, D.W.,Monn, J.A.,Mitch, C.H.,Ornstein, P.L. Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem. 2016 59 10974 10993 5KZQ 28002967 Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid 2016-07-25 2016-12-28 Chappell, M.D.,Li, R.,Smith, S.C.,Dressman, B.A.,Tromiczak, E.G.,Tripp, A.E.,Blanco, M.J.,Vetman, T.,Quimby, S.J.,Matt, J.,Britton, T.C.,Fivush, A.M.,Schkeryantz, J.M.,Mayhugh, D.,Erickson, J.A.,Bures, M.G.,Jaramillo, C.,Carpintero, M.,Diego, J.E.,Barberis, M.,Garcia-Cerrada, S.,Soriano, J.F.,Antonysamy, S.,Atwell, S.,MacEwan, I.,Condon, B.,Sougias, C.,Wang, J.,Zhang, A.,Conners, K.,Groshong, C.,Wasserman, S.R.,Koss, J.W.,Witkin, J.M.,Li, X.,Overshiner, C.,Wafford, K.A.,Seidel, W.,Wang, X.S.,Heinz, B.A.,Swanson, S.,Catlow, J.T.,Bedwell, D.W.,Monn, J.A.,Mitch, C.H.,Ornstein, P.L. Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem. 2016 59 10974 10993 5TB8 27959534 Precatalytic ternary complex of Human DNA Polymerase Beta in closed conformation With Gapped DNA substrate incoming (-)3TC-TP and Mn2+. 2016-09-11 2017-01-11 Reed, A.J.,Vyas, R.,Raper, A.T.,Suo, Z. Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase. J. Am. Chem. Soc. 2017 139 465 471 5TB9 27959534 Precatalytic ternary complex of Human DNA Polymerase Beta in closed conformation With Gapped DNA substrate incoming (-)FTC-TP and Mn2+. 2016-09-11 2017-01-11 Reed, A.J.,Vyas, R.,Raper, A.T.,Suo, Z. Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase. J. Am. Chem. Soc. 2017 139 465 471 5TBA 27959534 Postcatalytic ternary complex of Human DNA Polymerase Beta with Gapped DNA substrate, incorporated (-)3TC and PPi. 2016-09-11 2017-01-11 Reed, A.J.,Vyas, R.,Raper, A.T.,Suo, Z. Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase. J. Am. Chem. Soc. 2017 139 465 471 5TBB 27959534 Postcatalytic ternary complex of Human DNA Polymerase Beta with Gapped DNA substrate, incorporated (-)FTC and PPi. 2016-09-11 2017-01-11 Reed, A.J.,Vyas, R.,Raper, A.T.,Suo, Z. Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase. J. Am. Chem. Soc. 2017 139 465 471 5TBC 27959534 PRECATALYTIC TERNARY COMPLEX OF HUMAN DNA POLYMERASE BETA WITH GAPPED DNA SUBSTRATE, INCORPORATED (-)3TC-MP AND AN ANOTHER INCOMING (-)3TC-TP NUCLEOTIDE. 2016-09-11 2017-01-11 Reed, A.J.,Vyas, R.,Raper, A.T.,Suo, Z. Structural Insights into the Post-Chemistry Steps of Nucleotide Incorporation Catalyzed by a DNA Polymerase. J. Am. Chem. Soc. 2017 139 465 471 5I7I Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-crystallized 3-hydroxybenzoate 2016-02-17 2017-01-18 Vetting, M.W.,Al Obaidi, N.F.,Hogle, S.L.,Dupont, C.L.,Almo, S.C. Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157) in complex with co-purified 4-hydroxybenzoate To Be Published 0 0 0 0 5UHW Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+ and Magnesium 2017-01-12 2017-01-25 Cook, W.J.,Fedorov, A.A.,Fedorov, E.V.,Huang, H.,Bonanno, J.B.,Gerlt, J.A.,Almo, S.C. Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+ and Magnesium To be published 0 0 0 0 5UIB Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, L-tartaric acid and Magnesium 2017-01-13 2017-01-25 Cook, W.J.,Fedorov, A.A.,Fedorov, E.V.,Huang, H.,Bonanno, J.B.,Gerlt, J.A.,Almo, S.C. Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, L-tartaric acid and Magnesium To be published 0 0 0 0 5UHZ Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, D-Apionate and Magnesium 2017-01-12 2017-02-01 Cook, W.J.,Fedorov, A.A.,Fedorov, E.V.,Huang, H.,Bonanno, J.B.,Gerlt, J.A.,Almo, S.C. Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, D-Apionate and Magnesium To be published 0 0 0 0 5UI9 Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, 2 -hydroxy-2-hydroxymethyl propanoic acid and Magnesium 2017-01-13 2017-02-01 Cook, W.J.,Fedorov, A.A.,Fedorov, E.V.,Huang, H.,Bonanno, J.B.,Gerlt, J.A.,Almo, S.C. Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, 2 -hydroxy-2-hydroxymethyl propanoic acid and Magnesium To be published 0 0 0 0 5UIA Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium 2017-01-13 2017-02-01 Cook, W.J.,Fedorov, A.A.,Fedorov, E.V.,Huang, H.,Bonanno, J.B.,Gerlt, J.A.,Almo, S.C. Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium To be published 0 0 0 0 5SXI 28129991 Crystal Structure of PI3Kalpha in complex with fragment 13 2016-08-09 2017-02-15 Miller, M.S.,Maheshwari, S.,McRobb, F.M.,Kinzler, K.W.,Amzel, L.M.,Vogelstein, B.,Gabelli, S.B. Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem. 2017 25 1481 1486 5SXJ 28129991 Crystal Structure of PI3Kalpha in complex with fragment 29 2016-08-09 2017-02-15 Miller, M.S.,Maheshwari, S.,McRobb, F.M.,Kinzler, K.W.,Amzel, L.M.,Vogelstein, B.,Gabelli, S.B. Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem. 2017 25 1481 1486 5SXK 28129991 Crystal Structure of PI3Kalpha in complex with fragment 18 2016-08-09 2017-02-15 Miller, M.S.,Maheshwari, S.,McRobb, F.M.,Kinzler, K.W.,Amzel, L.M.,Vogelstein, B.,Gabelli, S.B. Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem. 2017 25 1481 1486 5ISZ 28250417 Crystal structure of LS01-TCR/M1-HLA-A*02 complex 2016-03-15 2017-03-01 Song, I.,Gil, A.,Mishra, R.,Ghersi, D.,Selin, L.K.,Stern, L.J. Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8(+) T cell epitope. Nat. Struct. Mol. Biol. 2017 24 395 406 5JHD 28250417 Crystal structure of LS10-TCR/M1-HLA-A*02 complex 2016-04-20 2017-03-01 Song, I.,Gil, A.,Mishra, R.,Ghersi, D.,Selin, L.K.,Stern, L.J. Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8(+) T cell epitope. Nat. Struct. Mol. Biol. 2017 24 395 406 5T36 28190634 Crystal structure of mPGES-1 bound to inhibitor 2016-08-24 2017-03-01 Partridge, K.M.,Antonysamy, S.,Bhattachar, S.N.,Chandrasekhar, S.,Fisher, M.J.,Fretland, A.,Gooding, K.,Harvey, A.,Hughes, N.E.,Kuklish, S.L.,Luz, J.G.,Manninen, P.R.,McGee, J.E.,Mudra, D.R.,Navarro, A.,Norman, B.H.,Quimby, S.J.,Schiffler, M.A.,Sloan, A.V.,Warshawsky, A.M.,Weller, J.M.,York, J.S.,Yu, X.P. Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett. 2017 27 1478 1483 5T37 28190634 crystal structure of mPGES-1 bound to inhibitor 2016-08-24 2017-03-01 Partridge, K.M.,Antonysamy, S.,Bhattachar, S.N.,Chandrasekhar, S.,Fisher, M.J.,Fretland, A.,Gooding, K.,Harvey, A.,Hughes, N.E.,Kuklish, S.L.,Luz, J.G.,Manninen, P.R.,McGee, J.E.,Mudra, D.R.,Navarro, A.,Norman, B.H.,Quimby, S.J.,Schiffler, M.A.,Sloan, A.V.,Warshawsky, A.M.,Weller, J.M.,York, J.S.,Yu, X.P. Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett. 2017 27 1478 1483 5TL9 28190634 crystal structure of mPGES-1 bound to inhibitor 2016-10-10 2017-03-01 Partridge, K.M.,Antonysamy, S.,Bhattachar, S.N.,Chandrasekhar, S.,Fisher, M.J.,Fretland, A.,Gooding, K.,Harvey, A.,Hughes, N.E.,Kuklish, S.L.,Luz, J.G.,Manninen, P.R.,McGee, J.E.,Mudra, D.R.,Navarro, A.,Norman, B.H.,Quimby, S.J.,Schiffler, M.A.,Sloan, A.V.,Warshawsky, A.M.,Weller, J.M.,York, J.S.,Yu, X.P. Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg. Med. Chem. Lett. 2017 27 1478 1483 5U3F 28272868 Structure of Mycobacterium tuberculosis IlvE, a branched-chain amino acid transaminase, in complex with D-cycloserine derivative 2016-12-02 2017-03-22 Amorim Franco, T.M.,Favrot, L.,Vergnolle, O.,Blanchard, J.S. Mechanism-Based Inhibition of the Mycobacterium tuberculosis Branched-Chain Aminotransferase by d- and l-Cycloserine. ACS Chem. Biol. 2017 12 1235 1244 5J44 28598765 Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri 2016-03-31 2017-04-12 Maldonado-Contreras, A.,Birtley, J.R.,Boll, E.,Zhao, Y.,Mumy, K.L.,Toscano, J.,Ayehunie, S.,Reinecker, H.C.,Stern, L.J.,McCormick, B.A. Shigella depends on SepA to destabilize the intestinal epithelial integrity via cofilin activation. Gut Microbes 2017 8 544 560 5V0N 28427814 BACE1 in complex with inhibitor 5g 2017-02-28 2017-05-03 Ghosh, A.K.,Brindisi, M.,Yen, Y.C.,Cardenas, E.L.,Ella-Menye, J.R.,Kumaragurubaran, N.,Huang, X.,Tang, J.,Mesecar, A.D. Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands. Bioorg. Med. Chem. Lett. 2017 27 2432 2438 5U2R 28402499 PRECATALYTIC TERNARY COMPLEX OF HUMAN DNA POLYMERASE BETA WITH GAPPED DNA SUBSTARTE, INCOMING L-DCTP AND CA2+ 2016-11-30 2017-05-24 Vyas, R.,Reed, A.J.,Raper, A.T.,Zahurancik, W.J.,Wallenmeyer, P.C.,Suo, Z. Structural basis for the D-stereoselectivity of human DNA polymerase beta. Nucleic Acids Res. 2017 45 6228 6237 5U2S 28402499 Pre-catalytic ternary complex of Human DNA Polymerase Beta With Gapped DNA substrate incoming (-)3TC-TP and Ca2+. 2016-11-30 2017-05-24 Vyas, R.,Reed, A.J.,Raper, A.T.,Zahurancik, W.J.,Wallenmeyer, P.C.,Suo, Z. Structural basis for the D-stereoselectivity of human DNA polymerase beta. Nucleic Acids Res. 2017 45 6228 6237 5U2T 28402499 Pre-catalytic ternary complex of Human DNA Polymerase Beta With Gapped DNA substrate incoming (-)FTC-TP and Ca2+. 2016-11-30 2017-05-24 Vyas, R.,Reed, A.J.,Raper, A.T.,Zahurancik, W.J.,Wallenmeyer, P.C.,Suo, Z. Structural basis for the D-stereoselectivity of human DNA polymerase beta. Nucleic Acids Res. 2017 45 6228 6237 5K8D 28397397 Crystal structure of rFVIIIFc 2016-05-29 2017-06-14 Leksa, N.C.,Chiu, P.L.,Bou-Assaf, G.M.,Quan, C.,Liu, Z.,Goodman, A.B.,Chambers, M.G.,Tsutakawa, S.E.,Hammel, M.,Peters, R.T.,Walz, T.,Kulman, J.D. The structural basis for the functional comparability of factor VIII and the long-acting variant recombinant factor VIII Fc fusion protein. J. Thromb. Haemost. 2017 15 1167 1179 5UGF 28584087 Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with DADMe-ImmG and phosphate 2017-01-08 2017-06-21 Harijan, R.K.,Zoi, I.,Antoniou, D.,Schwartz, S.D.,Schramm, V.L. Catalytic-site design for inverse heavy-enzyme isotope effects in human purine nucleoside phosphorylase. Proc. Natl. Acad. Sci. U.S.A. 2017 114 6456 6461 5KJY 28583991 Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cAMP 2016-06-20 2017-06-28 Lorenz, R.,Moon, E.W.,Kim, J.J.,Schmidt, S.H.,Sankaran, B.,Pavlidis, I.V.,Kim, C.,Herberg, F.W. Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity. Biochem. J. 2017 474 2389 2403 5KJY 28583991 Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cAMP 2016-06-20 2017-06-28 Lorenz, R.,Moon, E.W.,Kim, J.J.,Schmidt, S.H.,Sankaran, B.,Pavlidis, I.V.,Kim, C.,Herberg, F.W. Mutations of PKA cyclic nucleotide-binding domains reveal novel aspects of cyclic nucleotide selectivity. Biochem. J. 2017 474 2389 2403 5VRW 28682600 Human DNA polymerase beta pre-catalytic 8-oxoG:dC extension complex with dTTP bound in non-planar conformation 2017-05-11 2017-07-19 Reed, A.J.,Suo, Z. Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc. 2017 139 9684 9690 5VRX 28682600 Human DNA polymerase beta pre-catalytic 8-oxoG:dC extension complex with dTTP bound in Watson-Crick conformation 2017-05-11 2017-07-19 Reed, A.J.,Suo, Z. Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc. 2017 139 9684 9690 5VRY 28682600 Human DNA polymerase beta 8-oxoG:dC extension with dTTP after 20 s 2017-05-11 2017-07-19 Reed, A.J.,Suo, Z. Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc. 2017 139 9684 9690 5VRZ 28682600 Human DNA polymerase beta 8-oxoG:dC extension with dTTP after 60 s 2017-05-11 2017-07-19 Reed, A.J.,Suo, Z. Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc. 2017 139 9684 9690 5VS0 28682600 Human DNA polymerase beta 8-oxoG:dC extension with dTTP after 80 s 2017-05-11 2017-07-19 Reed, A.J.,Suo, Z. Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc. 2017 139 9684 9690 5VS1 28682600 Human DNA polymerase beta pre-catalytic 8-oxoG:dA extension complex with dTTP bound in non-planar conformation 2017-05-11 2017-07-19 Reed, A.J.,Suo, Z. Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc. 2017 139 9684 9690 5VS2 28682600 Human DNA polymerase beta pre-catalytic 8-oxoG:dA extension complex with dTTP bound in Watson-Crick conformation 2017-05-11 2017-07-19 Reed, A.J.,Suo, Z. Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc. 2017 139 9684 9690 5VS3 28682600 Human DNA polymerase beta 8-oxoG:dA extension with dTTP after 90 s 2017-05-11 2017-07-19 Reed, A.J.,Suo, Z. Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc. 2017 139 9684 9690 5VS4 28682600 Human DNA polymerase beta 8-oxoG:dA extension with dTTP after 120 s 2017-05-11 2017-07-19 Reed, A.J.,Suo, Z. Time-Dependent Extension from an 8-Oxoguanine Lesion by Human DNA Polymerase Beta. J. Am. Chem. Soc. 2017 139 9684 9690 5VR9 28726352 CH1/Ckappa Fab based on Matuzumab 2017-05-10 2017-08-02 Froning, K.J.,Leaver-Fay, A.,Wu, X.,Phan, S.,Gao, L.,Huang, F.,Pustilnik, A.,Bacica, M.,Houlihan, K.,Chai, Q.,Fitchett, J.R.,Hendle, J.,Kuhlman, B.,Demarest, S.J. Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies. Protein Sci. 2017 26 2021 2038 5VSH 28726352 CH1/Clambda Fab based on Pertuzumab 2017-05-11 2017-08-02 Froning, K.J.,Leaver-Fay, A.,Wu, X.,Phan, S.,Gao, L.,Huang, F.,Pustilnik, A.,Bacica, M.,Houlihan, K.,Chai, Q.,Fitchett, J.R.,Hendle, J.,Kuhlman, B.,Demarest, S.J. Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies. Protein Sci. 2017 26 2021 2038 5VSI 28726352 CH1/Ckappa Fab mutant 15.1 2017-05-11 2017-08-02 Froning, K.J.,Leaver-Fay, A.,Wu, X.,Phan, S.,Gao, L.,Huang, F.,Pustilnik, A.,Bacica, M.,Houlihan, K.,Chai, Q.,Fitchett, J.R.,Hendle, J.,Kuhlman, B.,Demarest, S.J. Computational design of a specific heavy chain/ kappa light chain interface for expressing fully IgG bispecific antibodies. Protein Sci. 2017 26 2021 2038 5VYG 28729422 Crystal structure of hFA9 EGF repeat with O-glucose trisaccharide 2017-05-25 2017-08-09 Takeuchi, H.,Yu, H.,Hao, H.,Takeuchi, M.,Ito, A.,Li, H.,Haltiwanger, R.S. O-Glycosylation modulates the stability of epidermal growth factor-like repeats and thereby regulates Notch trafficking J. Biol. 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TBA To be published 0 0 0 0 5TR4 Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243 2016-10-25 2017-11-01 Hyer, M.,Milhollen, M.,Ciavarri, J.,Fleming, P.,Traore, T.,Sappal, D.,Huck, J.,Shi, J.,Gavin, J.,Brownell, J.,Yang, Y.,Stringer, B.,Griffin, R.,Bruzzese, F.,Soucy, T.,Duffy, J.,Rabino, C.,Riceberg, J.,Hoar, K.,Lublinsky, A.,Menon, S.,Sintchak, M.,Bump, N.,Pulukuri, S.,Amidon, B.,Langston, S.,Tirrell, S.,Kuranda, M.,Veiby, P.,Newcomb, J.,Li, P.,Wu, J.,Dick, L.,Greenspan, P.,Galvin, K.,Manfredi, M.,Claibrone, C.,Bence, N. Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243) To be published 0 0 0 0 5VKI 29136651 Crystal structure of P[19] rotavirus VP8* complexed with mucin core 2 2017-04-21 2017-11-08 Liu, Y.,Xu, S.,Woodruff, A.L.,Xia, M.,Tan, M.,Kennedy, M.A.,Jiang, X. Structural basis of glycan specificity of P[19] VP8*: Implications for rotavirus zoonosis and evolution. 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HVEM structures and mutants reveal distinct functions of binding to LIGHT and BTLA/CD160. J.Exp.Med. 2021 218 0 0 7RXV 34668717 Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine, Malonate (MLA) and MgF3 2021-08-23 2021-11-03 Ghosh, A.,Niland, C.N.,Cahill, S.M.,Karadkhelkar, N.M.,Schramm, V.L. Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution. J.Am.Chem.Soc. 2021 143 18325 18330 7RXW 34668717 Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor imido-diphosphate (PNP) 2021-08-23 2021-11-10 Ghosh, A.,Niland, C.N.,Cahill, S.M.,Karadkhelkar, N.M.,Schramm, V.L. Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution. J.Am.Chem.Soc. 2021 143 18325 18330 7RXX 34668717 Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and two sulfate in the active site 2021-08-23 2021-11-10 Ghosh, A.,Niland, C.N.,Cahill, S.M.,Karadkhelkar, N.M.,Schramm, V.L. Mechanism of Triphosphate Hydrolysis by Human MAT2A at 1.07 angstrom Resolution. J.Am.Chem.Soc. 2021 143 18325 18330 7LOU 34725358 Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine 2021-02-10 2021-11-17 Paparella, A.S.,Aboulache, B.L.,Harijan, R.K.,Potts, K.S.,Tyler, P.C.,Schramm, V.L. Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues. Nat Commun 2021 12 6285 6285 7RBW 34798132 Structure of Biliverdin-binding Serpin of Boana punctata (polka-dot tree frog) 2021-07-06 2021-11-24 Manoilov, K.Y.,Ghosh, A.,Almo, S.C.,Verkhusha, V.V. Structural and Functional Characterization of a Biliverdin-Binding Near-Infrared Fluorescent Protein From the Serpin Superfamily. J.Mol.Biol. 2021 434 167359 167359 7LTY 34734694 Bruton's tyrosine kinase in complex with compound 23 2021-02-20 2022-01-12 Hopkins, B.T.,Bame, E.,Bajrami, B.,Black, C.,Bohnert, T.,Boiselle, C.,Burdette, D.,Burns, J.C.,Delva, L.,Donaldson, D.,Grater, R.,Gu, C.,Hoemberger, M.,Johnson, J.,Kapadnis, S.,King, K.,Lulla, M.,Ma, B.,Marx, I.,Magee, T.,Meissner, R.,Metrick, C.M.,Mingueneau, M.,Murugan, P.,Otipoby, K.L.,Polack, E.,Poreci, U.,Prince, R.,Roach, A.M.,Rowbottom, C.,Santoro, J.C.,Schroeder, P.,Tang, H.,Tien, E.,Zhang, F.,Lyssikatos, J. Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis. 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J.Med.Chem. 2021 64 15334 15348 7MLO 34648707 Crystal structure of ricin A chain in complex with 5-mesitylthiophene-2-carboxylic acid 2021-04-28 2022-02-09 Li, X.P.,Harijan, R.K.,Cao, B.,Kahn, J.N.,Pierce, M.,Tsymbal, A.M.,Roberge, J.Y.,Augeri, D.,Tumer, N.E. Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem. 2021 64 15334 15348 7MLP 34648707 Crystal structure of ricin A chain in complex with 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid 2021-04-28 2022-02-09 Li, X.P.,Harijan, R.K.,Cao, B.,Kahn, J.N.,Pierce, M.,Tsymbal, A.M.,Roberge, J.Y.,Augeri, D.,Tumer, N.E. Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem. 2021 64 15334 15348 7MLT 34648707 Crystal structure of ricin A chain in complex with 5-(2-ethylphenyl)thiophene-2-carboxylic acid 2021-04-29 2022-02-09 Li, X.P.,Harijan, R.K.,Cao, B.,Kahn, J.N.,Pierce, M.,Tsymbal, A.M.,Roberge, J.Y.,Augeri, D.,Tumer, N.E. Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem. 2021 64 15334 15348 7LVM 34963199 CASP8 isoform B DED domain 2021-02-25 2022-03-02 Ansalone, C.,Ainsworth, R.I.,Nygaard, G.,Ai, R.,Prideaux, E.B.,Hammaker, D.,Perumal, N.B.,Weichert, K.,Tung, F.,Kodandapani, L.,Sauder, J.M.,Mertsching, E.C.,Benschop, R.J.,Boyle, D.L.,Wang, W.,Firestein, G.S. Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior. ACR Open Rheumatol 2022 4 288 299 7RBE 35238634 Human DNA polymerase beta crosslinked binary complex - A 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBF 35238634 Human DNA polymerase beta crosslinked binary complex - B 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBG 35238634 Human DNA polymerase beta crosslinked ternary complex 1 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBH 35238634 Human DNA polymerase beta crosslinked ternary complex 2 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBI 35238634 Human DNA polymerase beta crosslinked complex, 20 s Ca to Mg exchange 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBJ 35238634 Human DNA polymerase beta crosslinked complex, 30 s Ca to Mg exchange 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBK 35238634 Human DNA polymerase beta crosslinked complex, 40 s Ca to Mg exchange 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBL 35238634 Human DNA polymerase beta crosslinked complex, 60 s Ca to Mg exchange 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBM 35238634 Human DNA polymerase beta crosslinked complex, 60 s Ca to Mn exchange 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBN 35238634 Human DNA polymerase beta crosslinked complex, 20 min Ca to Mg exchange 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7RBO 35238634 Human DNA polymerase beta crosslinked complex, 60 min Ca to Mg exchange 2021-07-06 2022-03-09 Kumar, A.,Reed, A.J.,Zahurancik, W.J.,Daskalova, S.M.,Hecht, S.M.,Suo, Z. Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7THU 35257742 Structure of reduced bovine cytochrome c oxidase at 1.93 Angstrom resolution obtained by synchrotron X-rays 2022-01-12 2022-03-30 Ishigami, I.,Russi, S.,Cohen, A.,Yeh, S.R.,Rousseau, D.L. Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase. J.Biol.Chem. 2022 298 101799 101799 7TIE 35257742 Structure of oxidized bovine cytochrome c oxidase at 1.90 Angstrom resolution obtained by synchrotron X-rays 2022-01-13 2022-03-30 Ishigami, I.,Russi, S.,Cohen, A.,Yeh, S.R.,Rousseau, D.L. Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase. J.Biol.Chem. 2022 298 101799 101799 7RPQ 35038915 Crystal Structure of carboxyl-terminal processing protease A, CtpA, of Pseudomonas aeruginosa 2021-08-04 2022-04-27 Hsu, H.C.,Wang, M.,Kovach, A.,Darwin, A.J.,Li, H. Pseudomonas aeruginosa C-Terminal Processing Protease CtpA Assembles into a Hexameric Structure That Requires Activation by a Spiral-Shaped Lipoprotein-Binding Partner. Mbio 2022 13 0 0 7RDE 35315486 Human Triose Phosphate Isomerase Q181P 2021-07-09 2022-05-04 VanDemark, A.P.,Hrizo, S.L.,Eicher, S.L.,Kowalski, J.,Myers, T.D.,Pfeifer, M.R.,Riley, K.N.,Koeberl, D.D.,Palladino, M.J. Itavastatin and resveratrol increase triosephosphate isomerase protein in a newly identified variant of TPI deficiency. Dis Model Mech 2022 15 0 0 7N4R 34314938 Bruton's tyrosine kinase in complex with compound 21 2021-06-04 2022-05-18 Hopkins, B.T.,Bame, E.,Bell, N.,Bohnert, T.,Bowden-Verhoek, J.K.,Bui, M.,Cancilla, M.T.,Conlon, P.,Cullen, P.,Erlanson, D.A.,Fan, J.,Fuchs-Knotts, T.,Hansen, S.,Heumann, S.,Jenkins, T.J.,Gua, C.,Liu, Y.,Liu, Y.,Lulla, M.,Marcotte, D.,Marx, I.,McDowell, B.,Mertsching, E.,Negrou, E.,Romanowski, M.J.,Scott, D.,Silvian, L.,Yang, W.,Zhong, M. Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem. 2021 44 116275 116275 7N2W The crystal structure of an FMN-dependent NADH-azoreductase, AzoA in complex with Red 40 2021-05-30 2022-06-01 Hitchings, R.,Ryan, A.,Arcinas, A.J.,Ghosh, A.,Almo, S.C.,Kelly, L. Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published 0 0 0 0 7N7V Crystal structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes at 2 A. 2021-06-11 2022-07-06 Yang, D.,Yan, W.,Li, G.,Han, L.,Lui, Y.-C.,Ma, M.,Meng, S.,Xie, G.,Xu, W.,Miller, M.D.,Phillips Jr., G.N.,Shen, B. Structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes. To Be Published 0 0 0 0 7RJM Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with ILF3 2021-07-21 2022-08-03 Wagner, S.,Fedorov, E.,Sudhamalla, B.,Jnawali, H.N.,Debiec, R.,Ghosh, A.,Islam, K. Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization Biorxiv 2021 0 0 0 7RJP Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with SHMT 2021-07-21 2022-08-03 Wagner, S.,Fedorov, E.,Sudhamalla, B.,Jnawali, H.N.,Debiec, R.,Ghosh, A.,Islam, K. Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published 0 0 0 0 7RJQ Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with ILF3 2021-07-21 2022-08-03 Wagner, S.,Fedorov, E.,Sudhamalla, B.,Jnawali, H.N.,Debiec, R.,Ghosh, A.,Islam, K. Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published 0 0 0 0 7LU7 Human TDO (hTDO) in complex with NLG919 analog 2021-02-21 2022-08-24 Yeh, S.-R.,Ishigami, I.,Lewis-Ballester, A.,Pham, K.N. Human TDO (hTDO) in complex with NLG919 analog To Be Published 0 0 0 0 7SKS 35857835 Crystal structure of measles virus matrix protein 2021-10-21 2022-08-24 Norris, M.J.,Husby, M.L.,Kiosses, W.B.,Yin, J.,Saxena, R.,Rennick, L.J.,Heiner, A.,Harkins, S.S.,Pokhrel, R.,Schendel, S.L.,Hastie, K.M.,Landeras-Bueno, S.,Salie, Z.L.,Lee, B.,Chapagain, P.P.,Maisner, A.,Duprex, W.P.,Stahelin, R.V.,Saphire, E.O. Measles and Nipah virus assembly: Specific lipid binding drives matrix polymerization. Sci Adv 2022 8 0 0 7N2X The crystal structure of an FMN-dependent NADH:quinone oxidoreductase, AzoR from Escherichia coli 2021-05-30 2022-08-31 Hitchings, R.,Ryan, A.,Arcinas, A.J.,Ghosh, A.,Almo, S.C.,Kelly, L. Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published 0 0 0 0 7SJ3 Structure of CDK4-Cyclin D3 bound to abemaciclib 2021-10-15 2022-11-02 Hilgers, M.T.,Pelletier, L.A. Structure of CDK4-Cyclin D3 bound to abemaciclib To Be Published 0 0 0 0 7TUX 36413975 Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with [(3S)-4-Hydroxy-3-[({2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)amino]butyl]phosphonic acid 2022-02-03 2022-12-07 V T Minnow, Y.,Suthagar, K.,Clinch, K.,Ducati, R.G.,Ghosh, A.,Buckler, J.N.,Harijan, R.K.,Cahill, S.M.,Tyler, P.C.,Schramm, V.L. Inhibition and Mechanism of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase. Acs Chem.Biol. 2022 17 3407 3419 7TL6 Murine meteorin N-terminal CUB domain 2022-01-18 2023-01-25 Quan, C.,Arndt, J.W.,Pepinsky, R.B.,Gong, B.J.,Dolnikova, J. Identification and structure determination of stable domains of meteorin and meteorin-like To Be Published 0 0 0 0 7TLH Murine meteorin C-terminal NTR domain 2022-01-18 2023-01-25 Quan, C.,Arndt, J.W.,Gong, B.J.,Dolnikova, J.,Pepinsky, R.B. Identification and structure determination of stable domains of meteorin and meteorin-like To Be Published 0 0 0 0 7TLW Murine Meteorin-like C-terminal NTR domain 2022-01-19 2023-01-25 Quan, C.,Arndt, J.W.,Gong, B.J.,Dolnikova, J.,Pepinsky, R.B. Identification and structure determination of stable domains of meteorin and meteorin-like To Be Published 0 0 0 0 7X3Z 36634828 Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD 2022-03-01 2023-01-25 Li, T.,Song, X.,Stephen, P.,Yin, H.,Lin, S.X. New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1. J.Steroid Biochem.Mol.Biol. 2023 228 106246 106246 7X3Z 36634828 Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 1 complexed with estrone and NAD 2022-03-01 2023-01-25 Li, T.,Song, X.,Stephen, P.,Yin, H.,Lin, S.X. New insights into the substrate inhibition of human 17 beta-hydroxysteroid dehydrogenase type 1. J.Steroid Biochem.Mol.Biol. 2023 228 106246 106246 7TWU 37467463 Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid and AdoHcy (SAH) 2022-02-07 2023-02-15 Mahmoodi, N.,Minnow, Y.V.T.,Harijan, R.K.,Bedard, G.T.,Schramm, V.L. Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase. Biochemistry 2023 62 2257 2268 7TX2 37467463 Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid 2022-02-07 2023-02-15 Mahmoodi, N.,Minnow, Y.V.T.,Harijan, R.K.,Bedard, G.T.,Schramm, V.L. Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase. Biochemistry 2023 62 2257 2268 8FLL 36796019 Crystal structure of BTK kinase domain in complex with pirtobrutinib 2022-12-21 2023-03-01 Gomez, E.B.,Ebata, K.,Randeria, H.S.,Rosendahl, M.S.,Cedervall, E.P.,Morales, T.H.,Hanson, L.M.,Brown, N.E.,Gong, X.,Stephens, J.,Wu, W.,Lippincott, I.,Ku, K.S.,Walgren, R.A.,Abada, P.B.,Ballard, J.A.,Allerston, C.K.,Brandhuber, B.J. Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor. Blood 2023 142 62 72 8FLN 36796019 Crystal structure of BTK C481S kinase domain in complex with pirtobrutinib 2022-12-21 2023-03-01 Gomez, E.B.,Ebata, K.,Randeria, H.S.,Rosendahl, M.S.,Cedervall, E.P.,Morales, T.H.,Hanson, L.M.,Brown, N.E.,Gong, X.,Stephens, J.,Wu, W.,Lippincott, I.,Ku, K.S.,Walgren, R.A.,Abada, P.B.,Ballard, J.A.,Allerston, C.K.,Brandhuber, B.J. Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor. Blood 2023 142 62 72 7UYN 36633282 Crystal structure of B-form alien DNA 5'-CTTBPPBBSSZZSAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase 2022-05-06 2023-05-10 Shukla, M.S.,Hoshika, S.,Benner, S.A.,Georgiadis, M.M. Crystal structures of 'ALternative Isoinformational ENgineered' DNA in B-form. Philos.Trans.R.Soc.Lond.B Biol 2023 378 20220028 20220028 7UYO 36633282 Crystal structure of B-form alien DNA 5'-CTTSSPBZPSZBBAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase 2022-05-06 2023-05-10 Shukla, M.S.,Hoshika, S.,Benner, S.A.,Georgiadis, M.M. Crystal structures of 'ALternative Isoinformational ENgineered' DNA in B-form. Philos.Trans.R.Soc.Lond.B Biol 2023 378 20220028 20220028 7UYP 36633282 Crystal structure of B-form alien DNA 5'-CTTZZPBSBSZPPAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase 2022-05-06 2023-05-10 Shukla, M.S.,Hoshika, S.,Benner, S.A.,Georgiadis, M.M. Crystal structures of 'ALternative Isoinformational ENgineered' DNA in B-form. Philos.Trans.R.Soc.Lond.B Biol 2023 378 20220028 20220028 8CRY Crystal structure of alien DNA CTSZZPBSBSZPPBAG in an orthorhombic lattice 2022-05-12 2023-05-17 Georgiadis, M.M.,Hoshika, S.,Shukla, M.,Benner, S.A. Alien DNA visualized at high resolution in A- and B-forms To Be Published 0 0 0 0 8CRZ Crystal structure of alien DNA CTSZZPBSBSZPPBAG in a tetragonal lattice 2022-05-12 2023-05-17 Georgiadis, M.M.,Hoshika, S.,Shukla, M.,Benner, S.A. Alien DNA visualized at high resolution in A- and B-forms To Be Published 0 0 0 0 8CS0 Crystal structure of alien DNA CTSZZPBSBSZPPBAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase 2022-05-12 2023-05-17 Georgiadis, M.M.,Hoshika, S.,Shukla, M.,Benner, S.A. Alien DNA visualized at high resolution in A- and B-forms To Be Published 0 0 0 0 8F60 37279757 anti-BTLA monoclonal antibody r23C8 in complex with BTLA 2022-11-15 2023-05-24 Cheung, T.C.,Atwell, S.,Bafetti, L.,Cuenca, P.D.,Froning, K.,Hendle, J.,Hickey, M.,Ho, C.,Huang, J.,Lieu, R.,Lim, S.,Lippner, D.,Obungu, V.,Ward-Kavanagh, L.,Weichert, K.,Ware, C.F.,Vendel, A.C. Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA. Structure 2023 31 958 0 8F6L 37279757 anti-BTLA monoclonal antibody h25F7 in complex with BTLA 2022-11-16 2023-05-24 Cheung, T.C.,Atwell, S.,Bafetti, L.,Cuenca, P.D.,Froning, K.,Hendle, J.,Hickey, M.,Ho, C.,Huang, J.,Lieu, R.,Lim, S.,Lippner, D.,Obungu, V.,Ward-Kavanagh, L.,Weichert, K.,Ware, C.F.,Vendel, A.C. Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA. Structure 2023 31 958 0 8F6O 37279757 anti-BTLA monoclonal antibody h22B3 in complex with BTLA 2022-11-16 2023-05-24 Cheung, T.C.,Atwell, S.,Bafetti, L.,Cuenca, P.D.,Froning, K.,Hendle, J.,Hickey, M.,Ho, C.,Huang, J.,Lieu, R.,Lim, S.,Lippner, D.,Obungu, V.,Ward-Kavanagh, L.,Weichert, K.,Ware, C.F.,Vendel, A.C. Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA. Structure 2023 31 958 0 8D8W Crystal structure of ChoE with Ser38 adopting alternative conformations 2022-06-09 2023-06-14 Pham, V.D.,Couture, M.,Lortie, L.-A.,Picard, M.-E.,Charette, S.,Levesque, R.,Shi, R. Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published 0 0 0 0 8D8X Crystal structure of ChoE in complex with acetate and thiocholine (crystal form 2) 2022-06-09 2023-06-14 Pham, V.D.,Couture, M.,Lortie, L.-A.,Picard, M.-E.,Charette, S.,Levesque, R.,Shi, R. Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published 0 0 0 0 8D8Y Crystal structure of ChoE N147A mutant in complex with acetylthiocholine 2022-06-09 2023-06-14 Pham, V.D.,Couture, M.,Lortie, L.-A.,Picard, M.-E.,Charette, S.,Levesque, R.,Shi, R. Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published 0 0 0 0 8D8Z Crystal structure of ChoE N147A mutant in complex with thiocholine and chloride 2022-06-09 2023-06-14 Pham, V.D.,Couture, M.,Lortie, L.-A.,Picard, M.-E.,Charette, S.,Levesque, R.,Shi, R. Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published 0 0 0 0 8D90 Crystal structure of ChoE N147A mutant in complex with bromide ions 2022-06-09 2023-06-14 Pham, V.D.,Couture, M.,Lortie, L.-A.,Picard, M.-E.,Charette, S.,Levesque, R.,Shi, R. Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published 0 0 0 0 8D91 Crystal structure of ChoE in complex with acetate and tetraethylammonium (TEA) 2022-06-09 2023-06-14 Pham, V.D.,Couture, M.,Lortie, L.-A.,Picard, M.-E.,Charette, S.,Levesque, R.,Shi, R. Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases To be published 0 0 0 0 8E1G 37083327 SARS-CoV-2 RBD in complex with Omicron-neutralizing antibody 2A10 2022-08-10 2023-06-28 Hastie, K.M.,Yu, X.,Ana-Sosa-Batiz, F.,Zyla, D.S.,Harkins, S.S.,Hariharan, C.,Wasserman, H.,Zandonatti, M.A.,Miller, R.,Maule, E.,Kim, K.,Valentine, K.M.,Shresta, S.,Saphire, E.O. Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence. Cell Rep 2023 42 112421 112421 8SWP 37812583 Structure of K. lactis PNP bound to hypoxanthine 2023-05-19 2023-10-18 Minnow, Y.V.T.,Schramm, V.L.,Almo, S.C.,Ghosh, A. Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity. Biochemistry 2023 62 3116 3125 8SWQ 37812583 Structure of K. lactis PNP bound to transition state analog DADMe-IMMUCILLIN H and sulfate 2023-05-19 2023-10-18 Minnow, Y.V.T.,Schramm, V.L.,Almo, S.C.,Ghosh, A. Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity. Biochemistry 2023 62 3116 3125 8SWT 37812583 Structure of Bacteroides fragilis PNP bound to transition state analog IMMUCILLIN H and sulfate 2023-05-19 2023-10-18 Minnow, Y.V.T.,Schramm, V.L.,Almo, S.C.,Ghosh, A. Phosphate Binding in PNP Alters Transition-State Analogue Affinity and Subunit Cooperativity. Biochemistry 2023 62 3116 3125 8EXZ Structure of GDAP1 containing CMT mutant T157P 2022-10-26 2023-11-08 Googins, M.R.,VanDemark, A.P. Structure of GDAP1 containing CMT mutant T157P To Be Published 0 0 0 0 8DHU Crystal structure of LARP-DM15 from Drosophila melanogaster bound to m7GpppC 2022-06-28 2024-01-17 Nguyen, E.,Berman, A.J. Comparative analysis of the LARP1 C-terminal DM15 region through Coelomate evolution To Be Published 0 0 0 0 8DIO Crystal structure of LARP1-DM15 from Danio rerio bound to m7GpppC 2022-06-29 2024-01-17 Nguyen, E.,Berman, A.J. Comparative analysis of the LARP1 C-terminal DM15 region through Coelomate evolution To Be Published 0 0 0 0 8SIP Structure of a mouse IgG antibody fragment that binds Inosine, an RNA modification 2023-04-16 2024-02-07 Aoki, S.T. Structure of a mouse IgG antibody fragment that binds Inosine, an RNA modification To Be Published 0 0 0 0 8TCA Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification, no ligand 2023-06-30 2024-02-07 Angelo, M.C.,Aoki, S.T. Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification To Be Published 0 0 0 0 8TFU Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 1 2023-07-11 2024-03-13 Zakharova, K.,Liu, M.,Greenwald, J.R.,Qi, Z.,Caldwell, B.J.,Wysocki, V.H.,Bell, C.E. Structural basis for the interaction of Red-beta single strand annealing protein with Escherichia coli single stranded DNA binding protein. To Be Published 0 0 0 0 8TG7 Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 2 2023-07-12 2024-03-13 Zakharova, K.,Liu, M.,Greenwald, J.R.,Qi, Z.,Caldwell, B.J.,Wysocki, V.H.,Bell, C.E. Structural basis for the interaction of Red-beta single strand annealing protein with Escherichia coli single stranded DNA binding protein. To Be Published 0 0 0 0 8TG8 Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 3 2023-07-12 2024-03-13 Zakharova, K.,Liu, M.,Greenwald, J.R.,Qi, Z.,Caldwell, B.J.,Wysocki, V.H.,Bell, C.E. Structural basis for the interaction of Red-beta single strand annealing protein with Escherichia coli single stranded DNA binding protein. To Be Published 0 0 0 0 8TGC Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 4 2023-07-12 2024-03-13 Zakharova, K.,Liu, M.,Greenwald, J.R.,Qi, Z.,Caldwell, B.J.,Wysocki, V.H.,Bell, C.E. Structural basis for the interaction of Red-beta single strand annealing protein with Escherichia coli single stranded DNA binding protein. To Be Published 0 0 0 0 8TW1 38489607 Crystal structure of Lys2972, a phage endolysin targeting Streptococcus thermophilus 2023-08-18 2024-03-27 Oechslin, F.,Zhu, X.,Morency, C.,Somerville, V.,Shi, R.,Moineau, S. Fermentation practices select for thermostable endolysins in phages. Mol.Biol.Evol. 2024 0 0 0