8R5T
 
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2H10
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2H0T
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2H0Y
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2H5S
 | | SA2-13 penam sulfone complexed to wt SHV-1 beta-lactamase | | Descriptor: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SHV-1 beta-lactamase | | Authors: | van den Akker, F, Padayatti, P.S. | | Deposit date: | 2006-05-27 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Rational Design of a beta-Lactamase Inhibitor Achieved via Stabilization of the trans-Enamine Intermediate: 1.28 A Crystal Structure of wt SHV-1 Complex with a Penam Sulfone.
J.Am.Chem.Soc., 128, 2006
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3OPH
 | | ESBL R164S mutant of SHV-1 beta-lactamase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Sampson, J.M, van den Akker, F. | | Deposit date: | 2010-09-01 | | Release date: | 2011-07-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
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3OPP
 | | ESBL R164S mutant of SHV-1 beta-lactamase complexed with SA2-13 | | Descriptor: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Sampson, J.M, van den Akker, F. | | Deposit date: | 2010-09-01 | | Release date: | 2011-07-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
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3OPL
 | | ESBL R164H mutant SHV-1 beta-lactamase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Sampson, J.M, van den Akker, F. | | Deposit date: | 2010-09-01 | | Release date: | 2011-07-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
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3OPR
 | | ESBL R164H mutant of SHV-1 beta-lactamase complexed to SA2-13 | | Descriptor: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | | Authors: | Sampson, J.M, van den Akker, F. | | Deposit date: | 2010-09-01 | | Release date: | 2011-07-13 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
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3RXW
 | | KPC-2 carbapenemase in complex with PSR3-226 | | Descriptor: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid, CITRIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | | Authors: | Ke, W, van den Akker, F. | | Deposit date: | 2011-05-10 | | Release date: | 2012-03-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226.
Antimicrob.Agents Chemother., 56, 2012
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3RXX
 | | KPC-2 carbapenemase in complex with 3-NPBA | | Descriptor: | 3-NITROPHENYLBORONIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | | Authors: | Ke, W, van den Akker, F. | | Deposit date: | 2011-05-10 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226.
Antimicrob.Agents Chemother., 56, 2012
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5CHM
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with ceftazidime BATSI (LP06) | | Descriptor: | ACETATE ION, Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ... | | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | Deposit date: | 2015-07-10 | | Release date: | 2016-08-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors.
Biomolecules, 10, 2020
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5CGS
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5CGX
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F complexed with cefoxitin | | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, SODIUM ION, ... | | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | Deposit date: | 2015-07-09 | | Release date: | 2016-02-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | FOX-4 cephamycinase: an analysis of structure and function.
Antimicrob.Agents Chemother., 2015
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5CGW
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F | | Descriptor: | ACETATE ION, Beta-lactamase, ZINC ION | | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | Deposit date: | 2015-07-09 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | FOX-4 cephamycinase: an analysis of structure and function.
Antimicrob.Agents Chemother., 2015
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5CHJ
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with cephalothin BATSI (SM23) | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, ACETATE ION, Beta-lactamase, ... | | Authors: | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | Deposit date: | 2015-07-10 | | Release date: | 2016-08-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.358 Å) | | Cite: | Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors.
Biomolecules, 10, 2020
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5EEC
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5EE8
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5EVK
 | | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319 | | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.627 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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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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5EWA
 | | Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 | | Descriptor: | (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | | Authors: | Kosmopoulou, M, Hinchliffe, P, Spencer, J. | | Deposit date: | 2015-11-20 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 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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5EW0
 | | Crystal structure of the metallo-beta-lactamase Sfh-I in complex with the bisthiazolidine inhibitor L-CS319 | | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase, ZINC ION | | Authors: | Hinchliffe, P, Tooke, C.L, Spencer, J. | | Deposit date: | 2015-11-20 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 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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5EVB
 | | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-CS319 | | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.841 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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5EVD
 | | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-VC26 | | Descriptor: | (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 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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5EV8
 | | Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor D-CS319 | | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 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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