6ZYS
| Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87000954 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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4V0H
| Human metallo beta lactamase domain containing protein 1 (hMBLAC1) | Descriptor: | FE (III) ION, GLYCEROL, METALLO-BETA-LACTAMASE DOMAIN-CONTAINING PROTEIN 1 1 | Authors: | Pettinati, I, McDonough, M.A, Brem, J, Schofield, C.J. | Deposit date: | 2014-09-16 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Biosynthesis of histone messenger RNA employs a specific 3' end endonuclease. Elife, 7, 2018
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8JAO
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8D2Z
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5O2F
| Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2017-05-20 | Release date: | 2018-12-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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9C3D
| Crystal structure of metallo-beta-lactamase superfamily protein CcrA-like_MBL-B1 from Dyadobacter fermentans | Descriptor: | Metallo-beta-lactamase type 2, ZINC ION | Authors: | Kim, Y, Maltseva, N, Welk, L, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-31 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of metallo-beta-lactamase superfamily protein CcrA-like_MBL-B1 from Dyadobacter fermentans To Be Published
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7L91
| Structure of Metallo Beta-Lactamase L1 in a Complex with Hydrolyzed Moxalactam Determined by Pink-Beam Serial Crystallography | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Vukica, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-01 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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1MQO
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3LVZ
| New refinement of the crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum | Descriptor: | Blr6230 protein, ZINC ION | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Stoczko, M, Rossolini, G.M, Mangani, S. | Deposit date: | 2010-02-23 | Release date: | 2011-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides. Antimicrob.Agents Chemother., 54, 2010
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9BZB
| Crystal structure of metallo-hydrolase-like_MBL-fold protein from Salmonella typhimurium LT2 | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, SULFATE ION, ... | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of metallo-hydrolase-like_MBL-fold protein from Salmonella typhimurium LT2 To Be Published
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3KNS
| Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II) | Descriptor: | ACETIC ACID, Beta-lactamase 2, GLYCEROL, ... | Authors: | Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J. | Deposit date: | 2009-11-12 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions. Nat.Chem.Biol., 8, 2012
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6DD0
| Crystal structure of VIM-2 complexed with compound 8 | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-05-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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3L6N
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5EHT
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3KNR
| Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 1 mM Zn(II) | Descriptor: | ACETIC ACID, Beta-lactamase 2, GLYCEROL, ... | Authors: | Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J. | Deposit date: | 2009-11-12 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions. Nat.Chem.Biol., 8, 2012
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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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1M2X
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6DJA
| ZN-DEPENDENT 5/B/6 METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS | Descriptor: | Metallo-beta-lactamase type 2, ZINC ION | Authors: | Bui, A.A, Khan, N.H, Shaw, R.W, Sutton, R.B. | Deposit date: | 2018-05-24 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases. Plos One, 14, 2019
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7PP0
| Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038) | Descriptor: | 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S. | Deposit date: | 2021-09-10 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | 1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors. Chemmedchem, 17, 2022
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8VLC
| Crystal structure of Zn-dependent hydrolase from Salmonella typhimurium LT2 | Descriptor: | 1,2-ETHANEDIOL, HARLDQ motif MBL-fold protein, SULFATE ION | Authors: | Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-01-11 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Zn-dependent hydrolase from Salmonella typhimurium LT2 To Be Published
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7O0O
| Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem | 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-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2021-03-26 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-beta-Lactamase in the Imine Form. J.Chem.Inf.Model., 61, 2021
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8Z5L
| Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor | Descriptor: | 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Kamo, T, Kuroda, K, Nimura, S, Guo, Y, Kondo, S, Nukaga, M, Hoshino, T. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Development of Inhibitory Compounds for Metallo-beta-lactamase through Computational Design and Crystallographic Analysis. Biochemistry, 63, 2024
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1P9E
| Crystal Structure Analysis of Methyl Parathion Hydrolase from Pseudomonas sp WBC-3 | Descriptor: | CADMIUM ION, Methyl Parathion Hydrolase, POTASSIUM ION, ... | Authors: | Dong, Y, Sun, L, Bartlam, M, Rao, Z, Zhang, X. | Deposit date: | 2003-05-11 | Release date: | 2004-05-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure Analysis of Methyl Parathion Hydrolase from Pseudomonas sp WBC-3 To be Published
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3SPU
| apo NDM-1 Crystal Structure | Descriptor: | Beta-lactamase NDM-1, ZINC ION | Authors: | Strynadka, N.C.J, King, D.T. | Deposit date: | 2011-07-03 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of New Delhi metallo-beta-lactamase reveals molecular basis for antibiotic resistance Protein Sci., 20, 2011
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1SML
| METALLO BETA LACTAMASE L1 FROM STENOTROPHOMONAS MALTOPHILIA | Descriptor: | PROTEIN (PENICILLINASE), ZINC ION | Authors: | Ullah, J.H, Walsh, T.R, Taylor, I.A, Emery, D.C, Verma, C.S, Gamblin, S.J, Spencer, J. | Deposit date: | 1998-09-22 | Release date: | 1999-09-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia at 1.7 A resolution. J.Mol.Biol., 284, 1998
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