PDB: 1007 件ウェブページステータス検索Chemie searchBIRD

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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
4DE3	CTX-M-9 class A beta-lactamase complexed with compound 4 分子名称: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DDY	CTX-M-9 class A beta-lactamase complexed with compound 10 分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 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
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
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
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
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
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
4H8R	Imipenem complex of GES-5 carbapenemase 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-carbox ylic acid, Extended-spectrum beta-lactamase GES-5, IODIDE ION, ... 著者 Smith, C.A, Vakulenko, S.B. 登録日 2012-09-23 公開日 2013-07-24 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.25 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
4HBU	Crystal structure of CTX-M-15 extended-spectrum beta-lactamase in complex with avibactam (NXL104) 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... 著者 Docquier, J.D, Benvenuti, M, Bruneau, J.M, Rossolini, G.M, Miossec, C, Black, M.T, Mangani, S. 登録日 2012-09-28 公開日 2013-04-10 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.1 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
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
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
4DXC	Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group 分子名称: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION 著者 van den Akker, F, Ke, W. 登録日 2012-02-27 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation. Plos One, 7, 2012
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
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
4HBT	Crystal structure of native CTX-M-15 extended-spectrum beta-lactamase 分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... 著者 Docquier, J.D, Benvenuti, M, Bruneau, J.M, Rossolini, G.M, Miossec, C, Black, M.T, Mangani, S. 登録日 2012-09-28 公開日 2013-04-10 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.1 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
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
4IBR	Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S/E104K mutations 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, TEM-94 ES-beta-lactamase 著者 Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S. 登録日 2012-12-09 公開日 2013-04-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs. J.Mol.Biol., 425, 2013
4IBX	Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, CALCIUM ION, ... 著者 Dellus-Gur, E, Toth-Petroczy, A, Elias, M, Tawfik, D.S. 登録日 2012-12-09 公開日 2013-04-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 What Makes a Protein Fold Amenable to Functional Innovation? Fold Polarity and Stability Trade-offs. J.Mol.Biol., 425, 2013
4ID4	Crystal structure of chimeric beta-lactamase cTEM-17m 分子名称: Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ... 著者 Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. 登録日 2012-12-11 公開日 2013-12-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Maintenance of Native-like Protein Dynamics May Not Be Required for Engineering Functional Proteins. Chem.Biol., 21, 2014
4JLF	Inhibitor resistant (R220A) substitution in the Mycobacterium tuberculosis beta-lactamase 分子名称: Beta-lactamase, PHOSPHATE ION 著者 Hazra, S, Kurz, S, Blanchard, J, Bonomo, R. 登録日 2013-03-12 公開日 2013-10-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Can inhibitor-resistant substitutions in the Mycobacterium tuberculosis beta-Lactamase BlaC lead to clavulanate resistance?: a biochemical rationale for the use of beta-lactam-beta-lactamase inhibitor combinations. Antimicrob.Agents Chemother., 57, 2013
4JPM	Structure of SHV-1 beta-lactamase in complex with the 7-alkylidenecephalosporin DCM-1-10 at 1.14 Ang resolution 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-alkylidenecephalosporin DCM-1-10, bound form, ... 著者 Rodkey, E.A, van den Akker, F. 登録日 2013-03-19 公開日 2013-12-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 beta-Lactamase Inhibition by 7-Alkylidenecephalosporin Sulfones: Allylic Transposition and Formation of an Unprecedented Stabilized Acyl-Enzyme. J.Am.Chem.Soc., 135, 2013
4LEN	CTX-M-9 in complex with the broad spectrum inhibitor 3-(2- carboxyvinyl)benzo(b)thiophene-2-boronic acid 分子名称: (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid, Beta-lactamase 著者 Tondi, D. 登録日 2013-06-26 公開日 2014-06-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Targeting Class A and C Serine beta-Lactamases with a Broad-Spectrum Boronic Acid Derivative. J.Med.Chem., 57, 2014
4MBH	Penam sulfone PSR-3-226 bound to E166A variant of SHV-1 beta-lactamase 分子名称: 3-(formylamino)-L-alanine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ... 著者 Rodkey, E.A, van den Akker, F. 登録日 2013-08-19 公開日 2014-07-30 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Penam sulfones and beta-lactamase inhibition: SA2-13 and the importance of the C2 side chain length and composition. Plos One, 9, 2014

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