8PGP
 
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3193 | | Descriptor: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3193
To Be Published
|
|
7UYA
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
|
|
7UYC
 | | Inhibitor bound VIM1 | | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
|
|
8P92
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2117 | | Descriptor: | 3-[(1~{S})-1-phenylethoxy]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2117
To Be Published
|
|
8PA3
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2500 | | Descriptor: | 7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2500
To Be Published
|
|
8P9Q
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2455 | | Descriptor: | 7-[(1~{S})-1-acetyloxyethyl]-3-[3-fluoranyl-4-(sulfamoylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2455
To Be Published
|
|
8PH3
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3747 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3747
To Be Published
|
|
8P95
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2407 | | Descriptor: | 3-(2-ethoxypyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2407
To Be Published
|
|
8PAA
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2552 | | Descriptor: | 7-[(1~{S})-1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2552
To Be Published
|
|
8PA5
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2540 | | Descriptor: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2540
To Be Published
|
|
8PAH
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2596 | | Descriptor: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2596
To Be Published
|
|
8PA7
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2546 | | Descriptor: | 3-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2546
To Be Published
|
|
8PAD
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2555 | | Descriptor: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2555
To Be Published
|
|
8PAC
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2553 | | Descriptor: | 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2553
To Be Published
|
|
7AFY
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 1306 | | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, SODIUM ION, ... | | Authors: | Brem, J, Schofield, C.J. | | Deposit date: | 2020-09-21 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.105 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM2 with 139
To Be Published
|
|
8PA4
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2526 | | Descriptor: | 3-[4-(carbamimidamidomethyl)-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2526
To Be Published
|
|
7UYB
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
|
|
8PGN
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3169 | | Descriptor: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3169
To Be Published
|
|
8PH2
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3746 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[1-(2-azanylethyl)pyrazol-4-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3746
To Be Published
|
|
7UP2
 | | NDM1-inhibitor co-structure | | Descriptor: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Scapin, G, Fischmann, T.O. | | Deposit date: | 2022-04-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
|
|
8P93
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2163 | | Descriptor: | 3-[3-fluoranyl-4-[(piperidin-4-ylsulfonylamino)methyl]phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2163
To Be Published
|
|
8PGO
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3183 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3183
To Be Published
|
|
8P9P
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2408 | | Descriptor: | 3-(2-ethoxy-5-fluoranyl-pyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2408
To Be Published
|
|
8P8Y
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 1657 | | Descriptor: | 3-(2-acetamido-1,3-benzothiazol-7-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-04 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 1657
To Be Published
|
|
8PGA
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2818 | | Descriptor: | 7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2818
To Be Published
|
|
