5W90
 
 | | FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with unknown ligand | | Descriptor: | FEZ-1 protein, GLYCEROL, SULFATE ION, ... | | Authors: | Garcia-Saez, I, Mercuri, P.S, Kahn, R, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Papamicael, C, Frere, J.M, Galleni, M, Dideberg, O. | | Deposit date: | 2017-06-22 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril.
J. Mol. Biol., 325, 2003
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5HIQ
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2R2D
 | | Structure of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens | | Descriptor: | GLYCEROL, PHOSPHATE ION, ZINC ION, ... | | Authors: | Liu, D, Thomas, P.W, Momb, J, Hoang, Q, Petsko, G.A, Ringe, D, Fast, W. | | Deposit date: | 2007-08-24 | | Release date: | 2007-10-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure and specificity of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens.
Biochemistry, 46, 2007
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5HIS
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5XP6
 | | native structure of NDM-1 crystallized at pH5.5 | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ... | | Authors: | Zhang, H, Ma, G, Lai, J, Sun, H. | | Deposit date: | 2017-06-01 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
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2QDT
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2QIN
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5FQA
 | | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II | | Descriptor: | 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ... | | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Use of ferrous iron by metallo-beta-lactamases.
J. Inorg. Biochem., 163, 2016
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5XP9
 | | Crystal structure of Bismuth bound NDM-1 | | Descriptor: | Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2 | | Authors: | Zhang, H, Ma, G, Lai, T.P, Sun, H. | | Deposit date: | 2017-06-01 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
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2Q0J
 | | Structure of Pseudomonas Quinolone Signal Response Protein PqsE | | Descriptor: | BENZOIC ACID, FE (III) ION, Quinolone signal response protein | | Authors: | Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W. | | Deposit date: | 2007-05-22 | | Release date: | 2008-06-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
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2UYX
 | | metallo-beta-lactamase (1BC2) single point mutant D120S | | Descriptor: | BETA-LACTAMASE II, GLYCEROL, ZINC ION | | Authors: | Larrull, L.I, Fabiane, S.M, Kowalski, J.M, Bennett, B, Sutton, B.J, Vila, A.J. | | Deposit date: | 2007-04-20 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Asp-120 locates Zn2 for optimal metallo-beta-lactamase activity.
J. Biol. Chem., 282, 2007
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2Q0I
 | | Structure of Pseudomonas Quinolone Signal Response Protein PqsE | | Descriptor: | BENZOIC ACID, FE (III) ION, Quinolone signal response protein | | Authors: | Yu, S, Jensen, V, Feldmann, I, Haussler, S, Blankenfeldt, W. | | Deposit date: | 2007-05-22 | | Release date: | 2008-06-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Biochemistry, 48, 2009
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5K4M
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5K48
 | | VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid | | Descriptor: | 4-phenyl-2-(sulfanylmethyl)benzoic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | | Authors: | Zollman, D, McDonough, M, Brem, J, Schofield, C. | | Deposit date: | 2016-05-20 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-beta-lactamase Inhibitors.
J. Med. Chem., 61, 2018
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5K0W
 | | Crystal structure of the metallo-beta-lactamase GOB-18 from Elizabethkingia meningoseptica | | Descriptor: | CHLORIDE ION, Class B carbapenemase GOB-18, GLYCEROL, ... | | Authors: | Buschiazzo, A, Larrieux, N, Vila, A.J, Lisa, M.N, Moran-Barrio, J. | | Deposit date: | 2016-05-17 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal Structure of the Metallo-beta-Lactamase GOB in the Periplasmic Dizinc Form Reveals an Unusual Metal Site.
Antimicrob.Agents Chemother., 60, 2016
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5LCH
 | | VIM-2 metallo-beta-lactamase in complex with (S)-1-allyl-2-(3-methoxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 42) | | Descriptor: | (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid, Metallo-beta-lactamase VIM-2, ZINC ION | | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2016-06-21 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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5LCA
 | | VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17) | | Descriptor: | 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase VIM-2, ... | | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2016-06-20 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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5JQJ
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5LCF
 | | VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30) | | Descriptor: | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2016-06-21 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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5LSC
 | | The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor | | Descriptor: | 2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{H}-1,2,4-triazol-3-yl]benzoic acid, CHLORIDE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Christopeit, T, Yang, K.-W, Yang, S.-K, Leiros, H.-K.S. | | Deposit date: | 2016-08-25 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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5LE1
 | | VIM-2 metallo-beta-lactamase in complex with 2-(2-chloro-6-fluorobenzyl)-3-oxoisoindoline-4-carboxylic acid (compound 16) | | Descriptor: | 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, GLYCEROL, ... | | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2016-06-29 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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5LM6
 | | VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35) | | Descriptor: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, Metallo-beta-lactamase VIM-2, ... | | Authors: | Li, G.-B, Brem, J, Someya, H, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2016-07-29 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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5JMX
 | | Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 | | Descriptor: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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5LS3
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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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