4UA4
 
 | |
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
|
|
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
|
|
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
|
|
2QIN
 
 | |
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
|
|
4WD6
 
 | |
3SD9
 
 | |
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
|
|
2Y8A
 
 | VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases | Descriptor: | MAGNESIUM ION, METALLO-B-LACTAMASE, UNKNOWN ATOM OR 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases J.Mol.Biol., 411, 2011
|
|
6TD0
 
 | Crystal structure of vaborbactam bound to KPC-2 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2019-11-07 | Release date: | 2020-01-22 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition. Rsc Med Chem, 11, 2020
|
|
8BW4
 
 | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | (2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2022-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative To Be Published
|
|
8BW3
 
 | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | (2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2022-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative To Be Published
|
|
8BW2
 
 | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | Descriptor: | (2R)-N-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | Deposit date: | 2022-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative To Be Published
|
|
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
|
|
9ENY
 
 | |
9ENV
 
 | |
9ENW
 
 | |
6Z21
 
 | 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: | 2024-10-23 | 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
 
 | 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: | 2024-10-23 | 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
|
|
6Z22
 
 | |
9FBT
 
 | Structure of KPC-2 complexed with benzoxaborole AK-431 | Descriptor: | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Beer, M, Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2024-05-14 | Release date: | 2025-05-28 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Structure of KPC-2 complexed with benzoxaborole AK-431 To Be Published
|
|
9F0U
 
 | Structure of KPC-2 complexed with benzoxaborole AK-425 | Descriptor: | (9S)-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2024-04-17 | Release date: | 2025-04-30 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Structure of KPC-2 complexed with benzoxaborole AK-425 To Be Published
|
|
6Z23
 
 | Acylenzyme complex of cefotaxime bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-05-14 | Release date: | 2020-12-23 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance. J.Biol.Chem., 296, 2020
|
|
6Z24
 
 | |