PDB: 621 件ウェブページステータス検索Chemie searchBIRD

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6V3U	Crystal Structure of the NDM_FIM-1 like Metallo-beta-Lactamase from Erythrobacter litoralis in the Mono-Zinc Form 分子名称: 1,2-ETHANEDIOL, Beta-lactamase II, ISOPROPYL ALCOHOL, ... 著者 Kim, Y, Maltseva, N, Mulligan, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-11-26 公開日 2020-01-15 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of the NDM_FIM-1 like Metallo-beta-Lactamase from Erythrobacter litoralis in the Mono-Zinc Form To Be Published
6LF4	Crystal structure of VMB-1 bound to hydrolyzed meropenem 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, VMB-1 metallo-beta-lactamase, ZINC ION 著者 Cheng, Q, Chen, S. 登録日 2019-11-28 公開日 2020-03-25 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Crystal structure of VMB-1 bound to hydrolyzed meropenem To Be Published
6LFD	Crystal structure of VMB-1 at pH5.5(Bis-Tris) 分子名称: GLYCEROL, VMB-1, ZINC ION 著者 Cheng, Q, Chen, S. 登録日 2019-12-02 公開日 2020-02-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Crystal structure of VMB-1 at pH 5.5(Bis-Tris) To Be Published
6V54	Crystal Structure of Metallo Beta Lactamase from Hirschia baltica 分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... 著者 Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-12-03 公開日 2019-12-25 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystal Structure of Metallo Beta Lactamase from Hirschia baltica. To Be Published
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
6TMA	VIM-2_1dj- Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases 分子名称: Beta-lactamase class B VIM-2, CHLORIDE ION, HYDROXIDE ION, ... 著者 Leiros, H.-K.S. 登録日 2019-12-03 公開日 2020-09-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 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
6V61	Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril 分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... 著者 Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-12-04 公開日 2019-12-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril. To Be Published
6V5M	Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ... 著者 Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-12-04 公開日 2019-12-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate. To Be Published
6TMB	VIM-2_1di-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases 分子名称: Beta-lactamase class B VIM-2, CHLORIDE ION, HYDROXIDE ION, ... 著者 Leiros, H.-K.S, Christopeit, T. 登録日 2019-12-04 公開日 2020-09-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 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
6TMC	VIM-2_1dh-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases 分子名称: 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole, Beta-lactamase class B VIM-2, HYDROXIDE ION, ... 著者 Leiros, H.-K.S, Christopeit, T. 登録日 2019-12-04 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 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
6V72	Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis 分子名称: 1,2-ETHANEDIOL, Beta-lactamase II, CALCIUM ION, ... 著者 Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-12-06 公開日 2019-12-25 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis To Be Published
6V70	Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Cadmium in the Active Site 分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CADMIUM ION, ... 著者 Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-12-06 公開日 2019-12-25 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal Structure of Metallo Beta Lactamase from Hirschia baltica. To Be Published
6V71	Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site 分子名称: 1,2-ETHANEDIOL, Beta-lactamase, FORMIC ACID, ... 著者 Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-12-06 公開日 2019-12-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site To Be Published
6V73	Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site 分子名称: BETA-MERCAPTOETHANOL, Beta-lactamase II, CHLORIDE ION, ... 著者 Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2019-12-06 公開日 2019-12-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site To Be Published
6LHE	Crystal Structure of Gold-bound NDM-1 分子名称: GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION 著者 Wang, H, Sun, H, Wang, M. 登録日 2019-12-07 公開日 2020-09-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.206 Å) 主引用文献 Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin. Nat Commun, 11, 2020
6LIP	Crystal structure of NDM-1 in complex with D-captopril derivative wss0218 分子名称: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION 著者 Zhang, H, Ma, G. 登録日 2019-12-12 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6LJ1	Crystal structure of NDM-1 in complex with D-captopril derivative wss02127 monomer 分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.151 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6LJ2	Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer 分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, HYDROXIDE ION, ... 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6LJ0	Crystal structure of NDM-1 in complex with D-captopril derivative wss02122 分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6LJ5	Crystal structure of NDM-1 in complex with D-captopril derivative wss04145 分子名称: 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ... 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6LJ6	Crystal structure of NDM-1 in complex with D-captopril derivative wss05008 分子名称: 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide, Metallo-beta-lactamase type 2, ZINC ION 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6LJ4	Crystal structure of NDM-1 in complex with D-captopril derivative wss04146 分子名称: (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6LJ8	Crystal structure of NDM-1 in complex with D-captopril derivative wss04134 分子名称: 1,2-ETHANEDIOL, 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid, Metallo-beta-lactamase type 2, ... 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6LIZ	Crystal structure of NDM-1 in complex with D-captopril derivative wss02120 分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
6LJ7	Crystal structure of NDM-1 in complex with D-captopril derivative wss05010 分子名称: 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide, Metallo-beta-lactamase type 2, ZINC ION 著者 Zhang, H, Ma, G. 登録日 2019-12-13 公開日 2020-12-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.16 Å) 主引用文献 Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020

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