6XBF
 
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G | | Descriptor: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1G | | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6XBE
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F | | Descriptor: | BlaNDM-4_1_JQ348841, ZINC ION, macrocycle inhibitor NDM1i-1F | | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6XCI
 | | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D | | Descriptor: | ACETATE ION, BlaNDM-4_1_JQ348841, CADMIUM ION, ... | | Authors: | Worrall, L.J, Sun, T, Mulligan, V.K, Strynadka, N.C.J. | | Deposit date: | 2020-06-08 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Computationally designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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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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6XFR
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1WRA
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1WUO
 | | Crystal structure of metallo-beta-lactamase IMP-1 mutant (D81A) | | 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 (2.01 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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1X8H
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6YRP
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) | | Descriptor: | 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2020-04-20 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 208, 2020
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1X8I
 | | Crystal Structure of the Zinc Carbapenemase CphA in Complex with the Antibiotic Biapenem | | Descriptor: | 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM, 6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, ... | | Authors: | Garau, G, Dideberg, O. | | Deposit date: | 2004-08-18 | | Release date: | 2004-12-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem
J.Mol.Biol., 345, 2005
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1X8G
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3Q6V
 | | Crystal Structure of Serratia fonticola Sfh-I: glycerol complex | | Descriptor: | Beta-lactamase, GLYCEROL, ZINC ION | | Authors: | Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J. | | Deposit date: | 2011-01-03 | | Release date: | 2011-07-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Crystal structure of Serratia fonticola Sfh-I: activation of the nucleophile in mono-zinc metallo-beta-lactamases.
J.Mol.Biol., 411, 2011
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3PG4
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6Y6J
 | | VIM-2 in Complex with Biapenem Imine and Enamine Hydrolysis Products | | Descriptor: | Biapenem Enamine hydrolysis product, Biapenem Imine hydrolysis product, CHLORIDE ION, ... | | Authors: | Lucic, A, Schofield, C.J, Brem, J, McDonough, M.A. | | Deposit date: | 2020-02-26 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of metallo-beta-lactamase VIM-2 in complex with the imine and enamine form of hydrolysed Biapenem
To Be Published
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3VQZ
 | | Crystal structure of metallo-beta-lactamase, SMB-1, in a complex with mercaptoacetic acid | | Descriptor: | Metallo-beta-lactamase, SODIUM ION, SULFANYLACETIC ACID, ... | | Authors: | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | | Deposit date: | 2012-04-02 | | Release date: | 2013-02-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate
Antimicrob.Agents Chemother., 57, 2013
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3T9M
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6ZGM
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681 | | Descriptor: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2020-06-19 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae.
Acs Infect Dis., 6, 2020
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2GCU
 | | X-Ray Structure of Gene Product from Arabidopsis Thaliana At1g53580 | | Descriptor: | 1,2-ETHANEDIOL, FE (II) ION, Putative hydroxyacylglutathione hydrolase 3, ... | | Authors: | McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2006-03-14 | | Release date: | 2006-04-18 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.477 Å) | | Cite: | Structure of an ETHE1-like protein from Arabidopsis thaliana.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2GFJ
 | | Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (inhibitor 1) | | Descriptor: | 1,3-DIPHENYL-1H-PYRAZOLE-4,5-DICARBOXYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | Deposit date: | 2006-03-22 | | Release date: | 2007-03-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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3RKJ
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pnueumoniae | | Descriptor: | Beta-lactamase NDM-1, GLYCEROL, SULFATE ION | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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3RKK
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pneumoniae | | Descriptor: | ACETIC ACID, Beta-lactamase NDM-1, GLYCEROL, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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6ZYO
 | | Structure of VIM-2 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, Beta-lactamase VIM-2, FORMIC ACID, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-02 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 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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6ZYR
 | | Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b | | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-02 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 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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3WXC
 | | Crystal Structure of IMP-1 metallo-beta-lactamase complexed with a 3-aminophtalic acid inhibitor | | Descriptor: | 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid, Beta-lactamase, ZINC ION | | Authors: | Saito, J, Watanabe, T, Yamada, M. | | Deposit date: | 2014-07-29 | | Release date: | 2014-10-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray crystallographic analysis of IMP-1 metallo-beta-lactamase complexed with a 3-aminophthalic acid derivative, structure-based drug design, and synthesis of 3,6-disubstituted phthalic acid derivative inhibitors
Bioorg.Med.Chem.Lett., 24, 2014
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2GFK
 | | Crystal structure of the zinc-beta-lactamase l1 from stenotrophomonas maltophilia (inhibitor 2) | | Descriptor: | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, Metallo-beta-lactamase L1, ... | | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | Deposit date: | 2006-03-22 | | Release date: | 2007-03-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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