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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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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3L6N
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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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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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1WUP
 | | Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81E) | | Descriptor: | ACETIC ACID, Beta-lactamase IMP-1, ZINC ION | | Authors: | Yamaguchi, Y, Yamagata, Y, Goto, M. | | Deposit date: | 2004-12-08 | | Release date: | 2005-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Probing the role of Asp-120(81) of metallo-beta-lactamase (IMP-1) by site-directed mutagenesis, kinetic studies, and X-ray crystallography.
J.Biol.Chem., 280, 2005
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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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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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4UWR
 | | Mono-zinc VIM-26. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding. | | Descriptor: | FORMIC ACID, METALLO-BETA-LACTAMASE VIM-26, SODIUM ION, ... | | Authors: | Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O. | | Deposit date: | 2014-08-14 | | Release date: | 2015-02-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases.
FEBS J., 282, 2015
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5FQB
 | | Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE 2, GLYCEROL, ... | | 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 (1.899 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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7LUU
 | | Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active Site Glutamic Acid | | Descriptor: | GLYCEROL, SULFATE ION, Subclass B3 metallo-beta-lactamase, ... | | Authors: | Wilson, L, Knaven, E, Morris, M.T, Schenk, G. | | Deposit date: | 2021-02-23 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active-Site Glutamic Acid.
Antimicrob.Agents Chemother., 65, 2021
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5FQC
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with 2C | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE, DIMETHYL SULFOXIDE, ... | | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | Deposit date: | 2015-12-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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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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4XUK
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4NQ5
 | | Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound CS319 | | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ... | | Authors: | Gonzalez, J.M, Gonzalez, M.M, Vila, A.J. | | Deposit date: | 2013-11-23 | | Release date: | 2014-11-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Inhibition of metallo-lactamases with bicyclic compounds
TO BE PUBLISHED
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4NQ2
 | | Structure of Zn(II)-bound metallo-beta-lactamse VIM-2 from Pseudomonas aeruginosa | | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION | | Authors: | Aitha, M, Nix, J.C, Crowder, M.W, Page, R.C. | | Deposit date: | 2013-11-23 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Biochemical, Mechanistic, and Spectroscopic Characterization of Metallo-beta-lactamase VIM-2.
Biochemistry, 53, 2014
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1VGN
 | | Structure-based design of the irreversible inhibitors to metallo--lactamase (IMP-1) | | Descriptor: | 3-OXO-3-[(3-OXOPROPYL)SULFANYL]PROPANE-1-THIOLATE, ACETIC ACID, Beta-lactamase IMP-1, ... | | Authors: | Kurosaki, H, Yamaguchi, Y, Higashi, T, Soga, K, Matsueda, S, Misumi, S, Yamagata, Y, Arakawa, Y, Goto, M. | | Deposit date: | 2004-04-27 | | Release date: | 2005-06-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Irreversible Inhibition of Metallo-beta-lactamase (IMP-1) by 3-(3-Mercaptopropionylsulfanyl)propionic Acid Pentafluorophenyl Ester
Angew.Chem.Int.Ed.Engl., 44, 2005
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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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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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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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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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8GPD
 | | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin V | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ... | | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
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8GPE
 | | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin G | | Descriptor: | (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, POTASSIUM ION, ... | | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
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8GPC
 | | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, SODIUM ION, ... | | Authors: | Shi, X, Dai, Y, Zhang, Q, Liu, W. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
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7R3F
 | | Monomeric PqsE mutant E187R | | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase, BENZOIC ACID, CACODYLATE ION, ... | | Authors: | Borgert, S.R, Schmelz, S, Blankenfeldt, W. | | Deposit date: | 2022-02-07 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
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