PDB: 651 件ウェブページステータス検索Chemie searchBIRD

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6UXU	X-ray Crystal Structure of Chlorothalonil Dehalogenase: Analyzing the Catalytic Mechanism of Hydrolytic Dehalogenation 分子名称: Chlorothalonil hydrolytic dehalogenase, ZINC ION 著者 Catlin, D.S, Liu, D. 登録日 2019-11-08 公開日 2020-05-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.962 Å) 主引用文献 Structural basis for the hydrolytic dehalogenation of the fungicide chlorothalonil. J.Biol.Chem., 295, 2020
6TTA	Haddock model of NDM-1/quercetin complex 分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Metallo beta lactamase NDM-1, ZINC ION 著者 Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N. 登録日 2019-12-26 公開日 2021-01-13 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors. Acs Omega, 5, 2020
6TM9	VIM-2_1cc-. Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases 分子名称: 2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide, Beta-lactamase class B VIM-2, HYDROXIDE ION, ... 著者 Leiros, H.-K.S. 登録日 2019-12-03 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases. Bioorg.Med.Chem., 28, 2020
5YD7	Crystal Structure OF VIM-2 Metallo-beta-lactamase 分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION 著者 Wachino, J. 登録日 2017-09-11 公開日 2018-09-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal Structure Of VIM-2 Metallo-beta-lactamase To Be Published
5Y6D	VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 11) 分子名称: (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Li, G.-B. 登録日 2017-08-11 公開日 2018-01-24 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 ((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies. Eur J Med Chem, 145, 2018
5YPI	Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI1 complex 分子名称: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... 著者 Feng, H, Wang, D, Liu, W. 登録日 2017-11-01 公開日 2018-02-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
5W8W	Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement 分子名称: Metallo-beta-lactamase type 2, SULFATE ION, UNKNOWN ATOM OR ION, ... 著者 Gonzalez, J.M, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Wlodawer, A, Gonzalez, M.M, Vila, A.J. 登録日 2017-06-22 公開日 2017-07-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
5YPK	Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI2 complex 分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ... 著者 Feng, H, Wang, D, Liu, W. 登録日 2017-11-02 公開日 2018-02-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
5Y5B	Crystal Structure Of IMP-1 Metallo-beta-lactamase 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Metallo-beta-lactamase type 2, SULFATE ION, ... 著者 Wachino, J. 登録日 2017-08-08 公開日 2018-08-08 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses. Antimicrob.Agents Chemother., 63, 2019
5Y6E	VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 12) 分子名称: (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Li, G.-B. 登録日 2017-08-11 公開日 2018-01-24 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 ((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies. Eur J Med Chem, 145, 2018
5WCK	Native FEZ-1 metallo-beta-lactamase from Legionella gormanii 分子名称: FEZ-1 protein, GLYCEROL, SULFATE ION, ... 著者 Garcia-Saez, I, Mercuri, P.S, Kahn, R, Papamicael, C, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Frere, J.M, Galleni, M, Dideberg, O. 登録日 2017-06-30 公開日 2018-06-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril. J. Mol. Biol., 325, 2003
5WIH	Structure of New Delhi Metallo-Beta-lactamase 12 (NDM-12) 分子名称: Metallo-beta-lactamase NDM-12, ZINC ION 著者 VanPelt, J, Williams, C, Page, R.C. 登録日 2017-07-19 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Clinical Variants of New Delhi Metallo-beta-Lactamase Are Evolving To Overcome Zinc Scarcity. Acs Infect Dis., 3, 2017
5W90	FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with unknown ligand 分子名称: FEZ-1 protein, GLYCEROL, SULFATE ION, ... 著者 Garcia-Saez, I, Mercuri, P.S, Kahn, R, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Papamicael, C, Frere, J.M, Galleni, M, Dideberg, O. 登録日 2017-06-22 公開日 2018-06-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril. J. Mol. Biol., 325, 2003
5YPL	Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EP complex 分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ... 著者 Feng, H, Wang, D, Liu, W. 登録日 2017-11-02 公開日 2018-02-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
5YPN	Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI2 complex 分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ... 著者 Feng, H, Liu, W, Wang, D. 登録日 2017-11-02 公開日 2018-02-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
5YPM	Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI1 complex 分子名称: (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ... 著者 Feng, H, Wang, D, Liu, W. 登録日 2017-11-02 公開日 2018-02-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis. Nat Commun, 8, 2017
5XP9	Crystal structure of Bismuth bound NDM-1 分子名称: Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2 著者 Zhang, H, Ma, G, Lai, T.P, Sun, H. 登録日 2017-06-01 公開日 2018-03-07 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors Nat Commun, 9, 2018
5XP6	native structure of NDM-1 crystallized at pH5.5 分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... 著者 Zhang, H, Ma, G, Lai, J, Sun, H. 登録日 2017-06-01 公開日 2018-03-07 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors Nat Commun, 9, 2018
5ZGU	Crystal structure of NDM-1 at pH7.0 (HEPES) with 2 molecules per asymmetric unit 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HYDROXIDE ION, ... 著者 Zhang, H, Hao, Q. 登録日 2018-03-10 公開日 2018-08-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1. Antimicrob. Agents Chemother., 62, 2018
5ZJC	Crystal structure of NDM-1 in complex with D-captopril derivative CY41 分子名称: (2S)-2-methyl-3-sulfanyl-propan-1-ol, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ... 著者 Zhang, H, Hao, Q. 登録日 2018-03-20 公開日 2019-03-20 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.96 Å) 主引用文献 Crystal structure of NDM-1 to be published
5ZGE	Crystal structure of NDM-1 at pH5.5 (Bis-Tris) in complex with hydrolyzed ampicillin 分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... 著者 Zhang, H, Hao, Q. 登録日 2018-03-08 公開日 2018-08-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1. Antimicrob. Agents Chemother., 62, 2018
5ZGR	Crystal structure of NDM-1 at pH7.3 (HEPES) in complex with hydrolyzed ampicillin 分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... 著者 Zhang, H, Hao, Q. 登録日 2018-03-10 公開日 2018-08-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1. Antimicrob. Agents Chemother., 62, 2018
5ZGV	Crystal structure of NDM-1 at pH8.0 (Tris) with 2 molecules per asymmetric unit 分子名称: GLYCEROL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... 著者 Zhang, H, Hao, Q. 登録日 2018-03-10 公開日 2018-08-22 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1. Antimicrob. Agents Chemother., 62, 2018
5ZJ7	Crystal structure of NDM-1 in complex with D-captopril derivative CY22 分子名称: (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ... 著者 Zhang, H, Hao, Q. 登録日 2018-03-19 公開日 2019-03-20 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.96 Å) 主引用文献 Crystal structure of NDM-1 to be published
5WCM	Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement 分子名称: 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION 著者 Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. 登録日 2017-06-30 公開日 2017-07-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides. Antimicrob. Agents Chemother., 54, 2010

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