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4UA4
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BU of 4ua4 by Molmil
Structure of the VIM-2 Metallo-beta-Lactamase 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 class B VIM-2, GLYCEROL, ...
Authors:Spencer, J.
Deposit date:2014-08-08
Release date:2014-09-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of the VIM-2 Metallo-beta-Lactamase in Complex with a Bisthiazolidine Inhibitor
To Be Published
2AIO
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BU of 2aio by Molmil
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
3IT5
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BU of 3it5 by Molmil
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
3IT7
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BU of 3it7 by Molmil
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
2QIN
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BU of 2qin by Molmil
Stenotrophomonas maltophilia L1 Metallo-beta-Lactamase Asp-120 Cys mutant
Descriptor: MAGNESIUM ION, Metallo-beta-lactamase L1, ZINC ION
Authors:Spencer, J.
Deposit date:2007-07-05
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases.
Biochemistry, 46, 2007
5EV6
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BU of 5ev6 by Molmil
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
4WD6
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BU of 4wd6 by Molmil
Crystal Structure of DIM-1 metallo-beta-lactamase
Descriptor: Metallo-beta-lactamase, ZINC ION
Authors:Booth, M.P.S, Kosmopoulou, M, Spencer, J.
Deposit date:2014-09-07
Release date:2014-09-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of DIM-1 metallo-beta-lactamase
To Be Published
7ZO2
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BU of 7zo2 by Molmil
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
7ZO6
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BU of 7zo6 by Molmil
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
7ZO7
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BU of 7zo7 by Molmil
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
7ZO5
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BU of 7zo5 by Molmil
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
7ZO3
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BU of 7zo3 by Molmil
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
7ZO4
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BU of 7zo4 by Molmil
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
7O0O
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BU of 7o0o by Molmil
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
8AKM
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BU of 8akm by Molmil
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
8AKI
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BU of 8aki by Molmil
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
8AKJ
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BU of 8akj by Molmil
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
8AKL
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BU of 8akl by Molmil
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
8AKK
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BU of 8akk by Molmil
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
4U4L
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BU of 4u4l by Molmil
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
1SML
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BU of 1sml by Molmil
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
2Y8B
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BU of 2y8b by Molmil
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
1KQ7
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BU of 1kq7 by Molmil
E315Q Mutant Form of Fumarase C from E.coli
Descriptor: CITRIC ACID, D-MALATE, FUMARATE HYDRATASE CLASS II
Authors:Weaver, T.M, Estevez, M, Skarda, J, Spencer, J.
Deposit date:2002-01-04
Release date:2002-08-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray crystallographic and kinetic correlation of a clinically observed human fumarase mutation.
Protein Sci., 11, 2002
6Z21
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BU of 6z21 by Molmil
Crystal structure of deacylation mutant KPC-2 (E166Q)
Descriptor: CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-14
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
J.Biol.Chem., 296, 2020
6Z25
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BU of 6z25 by Molmil
Acylenzyme complex of ceftazidime bound to deacylation mutant KPC-4 (E166Q)
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-14
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
J.Biol.Chem., 296, 2020

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