4UA4
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2QIN
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2AIO
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![BU of 2aio by Molmil](/molmil-images/mine/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: | 2023-08-23 | 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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3IT5
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![BU of 3it5 by Molmil](/molmil-images/mine/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: | 2017-11-01 | 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
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![BU of 3it7 by Molmil](/molmil-images/mine/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: | 2017-11-01 | 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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5EV6
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![BU of 5ev6 by Molmil](/molmil-images/mine/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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7AFZ
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![BU of 7afz by Molmil](/molmil-images/mine/7afz) | L1 metallo-b-lactamase with compound EBL-1306 | Descriptor: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J, Brem, J. | Deposit date: | 2020-09-21 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors. Nat.Chem., 14, 2022
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7O0O
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![BU of 7o0o by Molmil](/molmil-images/mine/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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7ZO5
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![BU of 7zo5 by Molmil](/molmil-images/mine/7zo5) | L1 metallo-beta-lactamase in complex with a mecillinam degradation product | Descriptor: | (2~{R},4~{S})-2-[(1~{R})-2-(azepan-1-yl)-1-formamido-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2022-04-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO2
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![BU of 7zo2 by Molmil](/molmil-images/mine/7zo2) | L1 metallo-beta-lactamase complex with hydrolysed doripenem | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, CHLORIDE ION, Metallo-beta-lactamase L1, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2022-04-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO3
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![BU of 7zo3 by Molmil](/molmil-images/mine/7zo3) | L1 metallo-beta-lactamase in complex with hydrolysed tebipenem | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2022-04-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO4
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![BU of 7zo4 by Molmil](/molmil-images/mine/7zo4) | L1 metallo-beta-lactamase in complex with hydrolysed panipenem | Descriptor: | (2R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SODIUM ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2022-04-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO6
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![BU of 7zo6 by Molmil](/molmil-images/mine/7zo6) | L1 metallo-beta-lactamase in complex with hydrolysed cefoxitin | Descriptor: | (2~{R},5~{S})-5-(aminocarbonyloxymethyl)-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2022-04-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO7
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![BU of 7zo7 by Molmil](/molmil-images/mine/7zo7) | L1 metallo-beta-lactamase in complex with hydrolysed cefmetazole | Descriptor: | (2R,5R)-2-[(1S)-1-[2-(cyanomethylsulfanyl)ethanoylamino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2022-04-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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8R5U
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8R5T
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![BU of 8r5t by Molmil](/molmil-images/mine/8r5t) | |
4WD6
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4U4L
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![BU of 4u4l by Molmil](/molmil-images/mine/4u4l) | Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase NDM-1, GLYCEROL, ... | Authors: | Kosmopoulou, M, Hinchliffe, P, Spencer, J. | Deposit date: | 2014-07-23 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor To Be Published
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8AKL
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![BU of 8akl by Molmil](/molmil-images/mine/8akl) | Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | (2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AKK
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![BU of 8akk by Molmil](/molmil-images/mine/8akk) | Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AKI
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![BU of 8aki by Molmil](/molmil-images/mine/8aki) | Acyl-enzyme complex of ampicillin bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AKM
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![BU of 8akm by Molmil](/molmil-images/mine/8akm) | Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AKJ
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![BU of 8akj by Molmil](/molmil-images/mine/8akj) | Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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2QJS
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2Y8B
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![BU of 2y8b by Molmil](/molmil-images/mine/2y8b) | VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | Authors: | Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O. | Deposit date: | 2011-02-03 | Release date: | 2011-06-15 | Last modified: | 2011-08-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases J.Mol.Biol., 411, 2011
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