6TWT
| Crystal structure of N-terminally truncated NDM-1 metallo-beta-lactamase | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Imiolczyk, B, Czyrko-Horczak, J, Brzezinski, K, Jaskolski, M. | 登録日 | 2020-01-13 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates. Int.J.Biol.Macromol., 158, 2020
|
|
6T5K
| |
6T5L
| |
6RZ0
| |
6S0I
| |
6TM9
| |
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
|
|
6TGD
| Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31 | 分子名称: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione, CALCIUM ION, Metallo-beta-lactamase NDM-1, ... | 著者 | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | 登録日 | 2019-11-15 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10, 2020
|
|
6ZGM
| Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681 | 分子名称: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | 著者 | Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S. | 登録日 | 2020-06-19 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae. Acs Infect Dis., 6, 2020
|
|
7CT2
| |
6TMB
| |
6TMA
| |
6KW1
| The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b | 分子名称: | 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | 著者 | Yang, K.W, Xiang, Y. | 登録日 | 2019-09-05 | 公開日 | 2020-09-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.775212 Å) | 主引用文献 | Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor. Biomolecules, 10, 2020
|
|
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
|
|
6YRP
| Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) | 分子名称: | 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ... | 著者 | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | 登録日 | 2020-04-20 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 208, 2020
|
|
6K6W
| |
6K6S
| |
6TGI
| Crystal structure of VIM-2 in complex with triazole-based inhibitor OP24 | 分子名称: | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol, FORMIC ACID, Vim-1, ... | 著者 | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | 登録日 | 2019-11-15 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10, 2020
|
|
6L3S
| |
6LJ1
| |
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
|
|
6LJ5
| |
6LJ0
| |
6LJ4
| |
6LJ8
| |