PDB: 970 件ウェブページステータス検索Chemie searchBIRD

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4E3L	Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3M	Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3N	Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor 分子名称: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3O	Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor 分子名称: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, Beta-lactamase, PHOSPHATE ION 著者 Eidam, O, Shoichet, B.K. 登録日 2012-03-09 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E6W	ClbP in complex with 3-aminophenyl boronic acid 分子名称: ClbP peptidase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION 著者 Cougnoux, A, Delmas, J, Bonnet, R. 登録日 2012-03-16 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria To be Published
4E6X	ClbP in complex boron-based inhibitor 分子名称: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, ClbP peptidase, PHOSPHATE ION 著者 Cougnoux, A, Delmas, J, Bonnet, R. 登録日 2012-03-16 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 The NRP peptidase ClbP as a target for the inhibition of genotoxicity, cell proliferation and tumorogenesis mediated by pks-harboring bacteria To be Published
4EBL	BlaC E166A Faropenem Acyl-Intermediate Complex 分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION 著者 Mire, J.A, TB Structural Genomics Consortium (TBSGC) 登録日 2012-03-23 公開日 2013-04-03 最終更新日 2017-02-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo To be Published
4EBN	BlaC Amoxicillin Acyl-Intermediate Complex 分子名称: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION 著者 Mire, J.A, TB Structural Genomics Consortium (TBSGC) 登録日 2012-03-23 公開日 2013-04-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo To be Published
4EBP	BlaC E166A Cefotaxime Acyl-Intermediate Complex 分子名称: Beta-lactamase, CEFOTAXIME, C3' cleaved, ... 著者 Mire, J.A, TB Structural Genomics Consortium (TBSGC) 登録日 2012-03-23 公開日 2013-04-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo To be Published
4EQI	Crystal structure of serratia fonticola carbapenemase SFC-1 分子名称: 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, SODIUM ION 著者 Fonseca, F, Spencer, J. 登録日 2012-04-18 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations. J.Am.Chem.Soc., 134, 2012
4EUZ	Crystal structure of serratia fonticola carbapenemase SFC-1 S70A-Meropenem complex 分子名称: (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, ... 著者 Fonseca, F, Spencer, J. 登録日 2012-04-25 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations. J.Am.Chem.Soc., 134, 2012
4EV4	Crystal structure of serratia fonticola carbapenemase SFC-1 E166A mutant with the acylenzyme intermediate of meropenem 分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1 著者 Fonseca, F, Spencer, J. 登録日 2012-04-25 公開日 2012-05-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations. J.Am.Chem.Soc., 134, 2012
4FCF	K234R: apo structure of inhibitor resistant beta-lactamase 分子名称: 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE 著者 Rodkey, E.A, van den Akker, F. 登録日 2012-05-24 公開日 2012-12-26 最終更新日 2013-10-02 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase. J.Med.Chem., 56, 2013
4FD8	Structure of apo S70C SHV beta-lactamase 分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE 著者 Rodkey, E.A, van den Akker, F. 登録日 2012-05-26 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
4FH2	Structure of s70c beta-lactamase bound to sulbactam 分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SULBACTAM 著者 Rodkey, E.A, van den Akker, F. 登録日 2012-06-05 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
4FH4	high-resolution structure of apo wt SHV-1 beta-lactamase 分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE 著者 Rodkey, E.A, van den Akker, F. 登録日 2012-06-05 公開日 2012-09-26 最終更新日 2013-07-24 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
4GB7	Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis 分子名称: 1,2-ETHANEDIOL, 6-aminohexanoate-dimer hydrolase, NITRATE ION 著者 Osipiuk, J, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2012-07-26 公開日 2012-08-08 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Putative 6-aminohexanoate-dimer hydrolase from Bacillus anthracis. To be Published
4GD6	SHV-1 beta-lactamase in complex with penam sulfone SA1-204 分子名称: (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE 著者 van den Akker, F, Wei, K. 登録日 2012-07-31 公開日 2013-07-31 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
4GD8	SHV-1 beta-lactamase in complex with penam sulfone SA3-53 分子名称: (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE 著者 Pattanaik, P, van den Akker, F. 登録日 2012-07-31 公開日 2013-07-31 最終更新日 2013-08-07 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
4GDB	SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor 分子名称: (7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ... 著者 Ke, W, van den Akker, F. 登録日 2012-07-31 公開日 2013-07-31 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
4GDN	Structure of FmtA-like protein 分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein flp 著者 Cougnoux, A, Gibold, L, Delmas, J, Robin, F, Dalmasso, G, Bonnet, R. 登録日 2012-08-01 公開日 2012-10-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Analysis of Structure-Function Relationships in the Colibactin-Maturating Enzyme ClbP. J.Mol.Biol., 424, 2012
4GKU	Crystal structure of beta lactamase in PET-15B 分子名称: Beta-lactamase TEM 著者 Zhang, Y, Cao, C. 登録日 2012-08-13 公開日 2012-10-10 実験手法 X-RAY DIFFRACTION (1.915 Å) 主引用文献 Crystal structure of beta lactamase in PET-15B To be published
4GNU	Crystal structure of GES-5 carbapenemase 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase GES-5 著者 Smith, C.A, Vakulenko, S.B. 登録日 2012-08-17 公開日 2013-07-24 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases. J.Am.Chem.Soc., 134, 2012
4GOG	Crystal structure of the GES-1 imipenem acyl-enzyme complex 分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase GES-1, IODIDE ION, ... 著者 Smith, C.A, Vakulenko, S.B, Munoz, J. 登録日 2012-08-20 公開日 2013-07-24 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases. J.Am.Chem.Soc., 134, 2012
4GZB	Crystal structure of native AmpC beta-lactamase from Pseudomonas aeruginosa PAO1 分子名称: 1,2-ETHANEDIOL, Beta-lactamase 著者 Benvenuti, M, De Luca, F, Docquier, J.D, Mangani, S. 登録日 2012-09-06 公開日 2013-04-10 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases Antimicrob.Agents Chemother., 57, 2013

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