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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: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
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
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: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
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: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
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:2024-10-30
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
2QJS
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BU of 2qjs by Molmil
Stenotrophomonas maltophilia L1 metallo-beta-lactamase Asp-120 Asn mutant
Descriptor: Metallo-beta-lactamase L1, ZINC ION
Authors:Crisp, J, Conners, R, Spencer, J.
Deposit date:2007-07-09
Release date:2007-08-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases
Biochemistry, 46, 2007
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:2024-10-23
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
9R0X
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BU of 9r0x by Molmil
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
9R0Y
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BU of 9r0y by Molmil
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
3SD9
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BU of 3sd9 by Molmil
Crystal structure of serratia fonticola SFH-I: Source of the nucleophile in the catalytic mechanism of mono-zinc metallo-beta-lactamases
Descriptor: Beta-lactamase, ZINC ION
Authors:Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
Deposit date:2011-06-08
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of Serratia fonticola Sfh-I: Activation of the Nucleophile in Mono-Zinc Metallo-beta-Lactamases
To be Published, 2011
7A60
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BU of 7a60 by Molmil
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
7A61
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BU of 7a61 by Molmil
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
7A63
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BU of 7a63 by Molmil
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
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: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
9ENX
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BU of 9enx by Molmil
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
9ENV
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BU of 9env by Molmil
Apo GES-1 beta-Lactamase Crystallised with Citric Acid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, beta-lactamase
Authors:Beer, M, Hinchliffe, P, Spencer, J.
Deposit date:2024-03-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Apo GES-1 beta-Lactamase Crystallised with Citric Acid
To Be Published
9ENY
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BU of 9eny by Molmil
Tazobactam-Derived GES-1 Acyl-Enzyme
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MALONALDEHYDE, beta-lactamase, ...
Authors:Beer, M, Hinchliffe, P, Spencer, J.
Deposit date:2024-03-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Tazobactam-Derived GES-1 Acyl-Enzyme
To Be Published
9ENW
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BU of 9enw by Molmil
Apo GES-1 beta-Lactamase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, beta-lactamase
Authors:Beer, M, Hinchliffe, P, Spencer, J.
Deposit date:2024-03-13
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Apo GES-1 beta-Lactamase
To Be Published
9GX8
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BU of 9gx8 by Molmil
Crystal structure of CIM-2, a membrane-bound B1 metallo-beta-lactamase from Chryseobacterium indologenes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2024-09-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Active site loops of membrane-anchored metallo-beta-lactamases from environmental bacteria determine cephalosporinase activity.
Antimicrob.Agents Chemother., 2025
9GX9
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BU of 9gx9 by Molmil
Crystal structure of CJO-1, a membrane-bound B1 metallo-beta-lactamase from Chryseobacterium joostei
Descriptor: GLYCEROL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2024-09-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Active site loops of membrane-anchored metallo-beta-lactamases from environmental bacteria determine cephalosporinase activity.
Antimicrob.Agents Chemother., 2025
4ZEJ
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BU of 4zej by Molmil
Crystal Structure of DIM-1 Metallo-beta-Lactamase exposed to Ceftazidime
Descriptor: CHLORIDE ION, Metallo-beta-lactamase, ZINC ION
Authors:Booth, M.P.S, Kosmopoulou, M, Spencer, J.
Deposit date:2015-04-20
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Stricture of DIM-1 Metallo-beta-Lactamase
To Be Published
6ZYN
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BU of 6zyn by Molmil
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
6ZYQ
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BU of 6zyq by Molmil
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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