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
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5Y6D
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5Y6E
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6AO1
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6AUF
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5YD7
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6EUM
| CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | 分子名称: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | 登録日 | 2017-10-30 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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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
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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
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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
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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
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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
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6EW3
| Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J. | 登録日 | 2017-11-03 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6EWE
| Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | 分子名称: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | 登録日 | 2017-11-03 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6EX7
| Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement | 分子名称: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ... | 著者 | Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A. | 登録日 | 2017-11-07 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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6BM9
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6F2N
| Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197 | 分子名称: | (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | 著者 | McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J. | 登録日 | 2017-11-24 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.149 Å) | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6C6I
| Crystal structure of a chimeric NDM-1 metallo-beta-lactamase harboring the IMP-1 L3 loop | 分子名称: | Metallo-beta-lactamase type 2 chimera, ZINC ION | 著者 | Otero, L, Giannini, E, Klinke, S, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | 登録日 | 2018-01-18 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop. Antimicrob. Agents Chemother., 63, 2019
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6C89
| NDM-1 Beta-Lactamase Exhibits Differential Active Site Sequence Requirements for the Hydrolysis of Penicillin versus Carbapenem Antibiotics | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | 著者 | Palzkill, T, Sun, Z, Sankaran, B. | 登録日 | 2018-01-24 | 公開日 | 2018-12-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.75006151 Å) | 主引用文献 | Differential active site requirements for NDM-1 beta-lactamase hydrolysis of carbapenem versus penicillin and cephalosporin antibiotics. Nat Commun, 9, 2018
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6CAC
| Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop | 分子名称: | CADMIUM ION, CALCIUM ION, COBALT (II) ION, ... | 著者 | Alzari, P.M, Giannini, E, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | 登録日 | 2018-01-30 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop. Antimicrob. Agents Chemother., 63, 2019
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6CGY
| Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a phosphate anion | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | 著者 | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | 登録日 | 2018-02-21 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties. Sci Rep, 8, 2018
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6CGZ
| Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to C6-AHL | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | 著者 | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | 登録日 | 2018-02-21 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties. Sci Rep, 8, 2018
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6CH0
| Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a glycerol molecule | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | 著者 | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | 登録日 | 2018-02-21 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties. Sci Rep, 8, 2018
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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
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5ZGF
| Crystal structure of NDM-1 Q123G mutant | 分子名称: | HYDROXIDE ION, Metallo-beta-lactamase type 2, ZINC ION | 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 (1.2 Å) | 主引用文献 | Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1. Antimicrob. Agents Chemother., 62, 2018
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