6V3U
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![BU of 6v3u by Molmil](/molmil-images/mine/6v3u) | Crystal Structure of the NDM_FIM-1 like Metallo-beta-Lactamase from Erythrobacter litoralis in the Mono-Zinc Form | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase II, ISOPROPYL ALCOHOL, ... | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-11-26 | Release date: | 2020-01-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the NDM_FIM-1 like Metallo-beta-Lactamase from Erythrobacter litoralis in the Mono-Zinc Form To Be Published
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6LF4
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![BU of 6lf4 by Molmil](/molmil-images/mine/6lf4) | Crystal structure of VMB-1 bound to hydrolyzed meropenem | Descriptor: | (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 | Authors: | Cheng, Q, Chen, S. | Deposit date: | 2019-11-28 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of VMB-1 bound to hydrolyzed meropenem To Be Published
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6LFD
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![BU of 6lfd by Molmil](/molmil-images/mine/6lfd) | |
6V54
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![BU of 6v54 by Molmil](/molmil-images/mine/6v54) | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-03 | Release date: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica. To Be Published
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6TM9
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![BU of 6tm9 by Molmil](/molmil-images/mine/6tm9) | |
6TMA
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![BU of 6tma by Molmil](/molmil-images/mine/6tma) | |
6V61
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![BU of 6v61 by Molmil](/molmil-images/mine/6v61) | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-04 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril. To Be Published
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6V5M
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![BU of 6v5m by Molmil](/molmil-images/mine/6v5m) | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-04 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate. To Be Published
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6TMB
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![BU of 6tmb by Molmil](/molmil-images/mine/6tmb) | |
6TMC
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![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
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6V72
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![BU of 6v72 by Molmil](/molmil-images/mine/6v72) | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase II, CALCIUM ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis To Be Published
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6V70
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![BU of 6v70 by Molmil](/molmil-images/mine/6v70) | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Cadmium in the Active Site | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CADMIUM ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica. To Be Published
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6V71
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![BU of 6v71 by Molmil](/molmil-images/mine/6v71) | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, FORMIC ACID, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site To Be Published
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6V73
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![BU of 6v73 by Molmil](/molmil-images/mine/6v73) | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site | Descriptor: | BETA-MERCAPTOETHANOL, Beta-lactamase II, CHLORIDE ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site To Be Published
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6LHE
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![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
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6LIP
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![BU of 6lip by Molmil](/molmil-images/mine/6lip) | Crystal structure of NDM-1 in complex with D-captopril derivative wss0218 | Descriptor: | (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Zhang, H, Ma, G. | Deposit date: | 2019-12-12 | Release date: | 2020-12-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
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6LJ1
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![BU of 6lj1 by Molmil](/molmil-images/mine/6lj1) | |
6LJ2
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![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
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6LJ0
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![BU of 6lj0 by Molmil](/molmil-images/mine/6lj0) | Crystal structure of NDM-1 in complex with D-captopril derivative wss02122 | Descriptor: | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC 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 (1.2 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
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6LJ5
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![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
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6LJ6
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![BU of 6lj6 by Molmil](/molmil-images/mine/6lj6) | |
6LJ4
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![BU of 6lj4 by Molmil](/molmil-images/mine/6lj4) | Crystal structure of NDM-1 in complex with D-captopril derivative wss04146 | Descriptor: | (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid, Metallo-beta-lactamase type 2, ZINC 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 (1.15 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
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6LJ8
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![BU of 6lj8 by Molmil](/molmil-images/mine/6lj8) | Crystal structure of NDM-1 in complex with D-captopril derivative wss04134 | Descriptor: | 1,2-ETHANEDIOL, 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic 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 (1.4 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
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6LIZ
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![BU of 6liz by Molmil](/molmil-images/mine/6liz) | |
6LJ7
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![BU of 6lj7 by Molmil](/molmil-images/mine/6lj7) | |