4UA4
 
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2QIN
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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
 | | 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
 | | 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
 | | 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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1KQ7
 | | 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
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4WD6
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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: | 2024-01-31 | | 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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8R5U
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8R5T
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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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2QJS
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5ENF
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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6FZ6
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3SD9
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7QQC
 | | Structure of CTX-M-15 K73A mutant | | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-01-07 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
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7QQ5
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7R3R
 | | Crystal structure of CTX-M-15 G238C mutant apoenzyme | | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2022-02-07 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
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7R3Q
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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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6QWB
 | | Crystal structure of KPC-4 complexed with relebactam (16 hour soak) | | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2019-03-05 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
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6QWD
 | | Crystal structure of KPC-3 | | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2019-03-05 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
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6QW8
 | | Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak) | | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2019-03-05 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
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6QWE
 | | Crystal structure of KPC-4 | | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2019-03-05 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
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