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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6V1M
 | | Structure of NDM-1 bound to QPX7728 at 1.05 A | | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-11-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
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6V3Q
 | | Crystal Structure of the Metallo-beta-Lactamase FIM-1 from Pseudomonas aeruginosa in the Mono-Zinc Form | | Descriptor: | ISOPROPYL ALCOHOL, Metallo-beta-lactamase FIM-1, ZINC ION | | Authors: | Kim, Y, Hatzos-Skintges, C, 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 (2.4 Å) | | Cite: | Crystal Structure of the Metallo-beta-Lactamase FIM-1 from Pseudomonas aeruginosa in the Mono-Zinc Form
To Be Published
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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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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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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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6V1P
 | | Structure of VIM-2 bound to QPX7728 at 1.20 A | | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-11-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
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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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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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6UXU
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6RMF
 | | Crystal structure of NDM-1 with VNRX-5133 | | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ... | | Authors: | Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J. | | Deposit date: | 2019-05-06 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
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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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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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6RPN
 | | Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308. | | Descriptor: | (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, Beta-lactamase VIM-2, ... | | Authors: | Parkova, A, Lucic, A, Brem, J, McDonough, M.A, Langley, G.W, Schofield, C.J. | | Deposit date: | 2019-05-14 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.409 Å) | | Cite: | Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate.
Acs Infect Dis., 6, 2020
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6SP7
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with Taniborbactam (VNRX-5133) | | Descriptor: | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2019-08-31 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
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5DPX
 | | 1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases. | | Descriptor: | 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ... | | Authors: | Nauton, L, Garau, G, Khan, R, Dideberg, O. | | Deposit date: | 2015-09-14 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
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6T5K
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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
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6T5L
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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
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6TMB
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6TMA
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6TTA
 | | Haddock model of NDM-1/quercetin complex | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Metallo beta lactamase NDM-1, ZINC ION | | Authors: | Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N. | | Deposit date: | 2019-12-26 | | Release date: | 2021-01-13 | | Last modified: | 2021-03-17 | | Method: | SOLUTION NMR | | Cite: | NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
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6TM9
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5EH9
 | | Indirect contributions of mutations underlie optimization of new enzyme function | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, GLYCEROL, N-acyl homoserine lactonase AiiA, ... | | Authors: | Hong, N.-S, Jackson, C.J, Tokuriki, N, Yang, G, Baier, F. | | Deposit date: | 2015-10-28 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
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