2AIO
 
 | Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam | Descriptor: | (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Spencer, J, Read, J, Sessions, R.B, Howell, S, Blackburn, G.M, Gamblin, S.J. | Deposit date: | 2005-07-30 | Release date: | 2005-10-11 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography J.Am.Chem.Soc., 127, 2005
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4UA4
 
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3IT5
 
 | Crystal Structure of the LasA Virulence Factor from Pseudomonas aeruginosa | Descriptor: | Protease lasA, ZINC ION | Authors: | Spencer, J, Murphy, L.M, Conners, R, Sessions, R.B, Gamblin, S.J. | Deposit date: | 2009-08-27 | Release date: | 2009-11-17 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases. J.Mol.Biol., 396, 2010
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3IT7
 
 | Crystal Structure of the LasA virulence factor from Pseudomonas aeruginosa | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Protease lasA, ... | Authors: | Spencer, J, Murphy, L.M, Conners, R, Sessions, R.B, Gamblin, S.J. | Deposit date: | 2009-08-27 | Release date: | 2009-11-17 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases. J.Mol.Biol., 396, 2010
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2QIN
 
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5EV6
 
 | Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase IMP-1, ... | Authors: | Spencer, J, Hinchliffe, P. | Deposit date: | 2015-11-19 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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4WD6
 
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2QJS
 
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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: | 2024-10-23 | 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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9R0X
 
 | Crystal structure of NDM-1 with thiol compound 14a | Descriptor: | CHLORIDE ION, Metallo-beta-lactamase type 2, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2025-04-24 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Repurposing of compound libraries yields new inhibitors of NDM-1 metallo-beta-lactamase with diverse zinc-binding moieties Eur J Med Chem Rep, 15, 2025
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9R0Y
 
 | Crystal structure of NDM-1 with thiol compound 22b | Descriptor: | Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2025-04-24 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Repurposing of compound libraries yields new inhibitors of NDM-1 metallo-beta-lactamase with diverse zinc-binding moieties Eur J Med Chem Rep, 15, 2025
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3SD9
 
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7A60
 
 | Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form) | Descriptor: | (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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7A61
 
 | Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form) | Descriptor: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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7A63
 
 | Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form) | Descriptor: | (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-24 | Release date: | 2021-02-24 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.57000113 Å) | Cite: | Faropenem reacts with serine and metallo-beta-lactamases to give multiple products. Eur.J.Med.Chem., 215, 2021
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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: | 2024-11-20 | 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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9ENX
 
 | Enmetazobactam-Derived GES-1 Acyl-Enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Enmetazobactam derived trans-enamine adduct, ... | Authors: | Beer, M, Hinchliffe, P, Spencer, J. | Deposit date: | 2024-03-13 | Release date: | 2025-03-26 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Enmetazobactam-Derived GES-1 Acyl-Enzyme To Be Published
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9ENV
 
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9ENY
 
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9ENW
 
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9GX8
 
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9GX9
 
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4ZEJ
 
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6ZYN
 
 | Structure of VIM-2 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, 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 (1.4000138 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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6ZYQ
 
 | Structure of NDM-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, Metallo-beta-lactamase type 2, SULFATE 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 (1.7 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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