6JKB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jkb by Molmil](/molmil-images/mine/6jkb) | Crystal structure of metallo-beta-lactamse, NDM-1, in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Kamo, T, Kuroda, K, Kondo, S, Hayashi, U, Fudo, S, Nukaga, M, Hoshino, T. | Deposit date: | 2019-02-28 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.444 Å) | Cite: | Identification of the Inhibitory Compounds for Metallo-beta-lactamases and Structural Analysis of the Binding Modes. Chem Pharm Bull (Tokyo), 69, 2021
|
|
6OGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ogo by Molmil](/molmil-images/mine/6ogo) | Crystal structure of NDM-9 metallo-beta-lactamase | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Raczynska, J.E, Imiolczyk, B, Jaskolski, M. | Deposit date: | 2019-04-03 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates. Int.J.Biol.Macromol., 158, 2020
|
|
6OL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ol8 by Molmil](/molmil-images/mine/6ol8) | Crystal structure of NDM-12 metallo-beta-lactamase in complex with hydrolyzed ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-12, ... | Authors: | Raczynska, J.E, Imiolczyk, B, Jaskolski, M. | Deposit date: | 2019-04-16 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates. Int.J.Biol.Macromol., 158, 2020
|
|
6TWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6twt by Molmil](/molmil-images/mine/6twt) | Crystal structure of N-terminally truncated NDM-1 metallo-beta-lactamase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Imiolczyk, B, Czyrko-Horczak, J, Brzezinski, K, Jaskolski, M. | Deposit date: | 2020-01-13 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates. Int.J.Biol.Macromol., 158, 2020
|
|
6UXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uxu by Molmil](/molmil-images/mine/6uxu) | |
6T5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t5k by Molmil](/molmil-images/mine/6t5k) | |
6RZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rz0 by Molmil](/molmil-images/mine/6rz0) | |
6S0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s0i by Molmil](/molmil-images/mine/6s0i) | |
6TMC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tmc by Molmil](/molmil-images/mine/6tmc) | VIM-2_1dh-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases | Descriptor: | 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole, Beta-lactamase class B VIM-2, HYDROXIDE ION, ... | Authors: | Leiros, H.-K.S, Christopeit, T. | Deposit date: | 2019-12-04 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases. Bioorg.Med.Chem., 28, 2020
|
|
6TM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tm9 by Molmil](/molmil-images/mine/6tm9) | |
6TGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tgd by Molmil](/molmil-images/mine/6tgd) | Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31 | Descriptor: | 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, ... | Authors: | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | Deposit date: | 2019-11-15 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10, 2020
|
|
6ZGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zgm by Molmil](/molmil-images/mine/6zgm) | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681 | Descriptor: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S. | Deposit date: | 2020-06-19 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 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
|
|
6TMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tmb by Molmil](/molmil-images/mine/6tmb) | |
7CT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ct2 by Molmil](/molmil-images/mine/7ct2) | |
6TMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tma by Molmil](/molmil-images/mine/6tma) | |
6KW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kw1 by Molmil](/molmil-images/mine/6kw1) | The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b | Descriptor: | 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, ... | Authors: | Yang, K.W, Xiang, Y. | Deposit date: | 2019-09-05 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.775212 Å) | Cite: | Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor. Biomolecules, 10, 2020
|
|
6LHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lhe by Molmil](/molmil-images/mine/6lhe) | Crystal Structure of Gold-bound NDM-1 | Descriptor: | GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION | Authors: | Wang, H, Sun, H, Wang, M. | Deposit date: | 2019-12-07 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.206 Å) | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin. Nat Commun, 11, 2020
|
|
6YRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yrp by Molmil](/molmil-images/mine/6yrp) | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) | Descriptor: | 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, ... | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | Deposit date: | 2020-04-20 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 208, 2020
|
|
6K6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k6w by Molmil](/molmil-images/mine/6k6w) | |
6K6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k6s by Molmil](/molmil-images/mine/6k6s) | |
6TGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tgi by Molmil](/molmil-images/mine/6tgi) | Crystal structure of VIM-2 in complex with triazole-based inhibitor OP24 | Descriptor: | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol, FORMIC ACID, Vim-1, ... | Authors: | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | Deposit date: | 2019-11-15 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10, 2020
|
|
6L3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l3s by Molmil](/molmil-images/mine/6l3s) | |
6LJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lj1 by Molmil](/molmil-images/mine/6lj1) | |
6LJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lj2 by Molmil](/molmil-images/mine/6lj2) | Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer | Descriptor: | (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, ... | Authors: | Zhang, H, Ma, G. | Deposit date: | 2019-12-13 | Release date: | 2020-12-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
|
|
6LJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lj5 by Molmil](/molmil-images/mine/6lj5) | Crystal structure of NDM-1 in complex with D-captopril derivative wss04145 | Descriptor: | 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ... | Authors: | Zhang, H, Ma, G. | Deposit date: | 2019-12-13 | Release date: | 2020-12-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
|
|