3OPL
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![BU of 3opl by Molmil](/molmil-images/mine/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
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![BU of 3opr by Molmil](/molmil-images/mine/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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4FCF
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![BU of 4fcf by Molmil](/molmil-images/mine/4fcf) | K234R: apo structure of inhibitor resistant beta-lactamase | Descriptor: | 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Rodkey, E.A, van den Akker, F. | Deposit date: | 2012-05-24 | Release date: | 2012-12-26 | Last modified: | 2013-10-02 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Design and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase. J.Med.Chem., 56, 2013
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3RXW
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![BU of 3rxw by Molmil](/molmil-images/mine/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: | 2023-09-13 | 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
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![BU of 3rxx by Molmil](/molmil-images/mine/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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4IAE
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![BU of 4iae by Molmil](/molmil-images/mine/4iae) | Crystal structure of BAY 60-2770 bound to nostoc H-NOX domain | Descriptor: | 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION | Authors: | Kumar, V, van den Akker, F, Martin, F. | Deposit date: | 2012-12-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes. Biochemistry, 52, 2013
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4GDB
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![BU of 4gdb by Molmil](/molmil-images/mine/4gdb) | SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor | Descriptor: | (7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ... | Authors: | Ke, W, van den Akker, F. | Deposit date: | 2012-07-31 | Release date: | 2013-07-31 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
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4GD8
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![BU of 4gd8 by Molmil](/molmil-images/mine/4gd8) | SHV-1 beta-lactamase in complex with penam sulfone SA3-53 | Descriptor: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Pattanaik, P, van den Akker, F. | Deposit date: | 2012-07-31 | Release date: | 2013-07-31 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation Plos One, 7, 2012
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4FH2
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![BU of 4fh2 by Molmil](/molmil-images/mine/4fh2) | Structure of s70c beta-lactamase bound to sulbactam | Descriptor: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SULBACTAM | Authors: | Rodkey, E.A, van den Akker, F. | Deposit date: | 2012-06-05 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
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4FD8
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![BU of 4fd8 by Molmil](/molmil-images/mine/4fd8) | Structure of apo S70C SHV beta-lactamase | Descriptor: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Rodkey, E.A, van den Akker, F. | Deposit date: | 2012-05-26 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
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4FH4
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![BU of 4fh4 by Molmil](/molmil-images/mine/4fh4) | high-resolution structure of apo wt SHV-1 beta-lactamase | Descriptor: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Rodkey, E.A, van den Akker, F. | Deposit date: | 2012-06-05 | Release date: | 2012-09-26 | Last modified: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase J.Am.Chem.Soc., 134, 2012
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1RCJ
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![BU of 1rcj by Molmil](/molmil-images/mine/1rcj) | Crystal structure of E166A mutant of SHV-1 beta-lactamase with the trans-enamine intermediate of tazobactam | Descriptor: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM TRANS-ENAMINE INTERMEDIATE | Authors: | Padayatti, P.S, Helfand, M.S, Totir, M.A, Carey, M.P, Hujer, A.M, Carey, P.R, Bonomo, R.A, van den Akker, F. | Deposit date: | 2003-11-04 | Release date: | 2004-02-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Tazobactam Forms a Stoichiometric trans-Enamine Intermediate in the E166A Variant of SHV-1 beta-Lactamase: 1.63 A Crystal Structure Biochemistry, 43, 2004
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3D4F
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![BU of 3d4f by Molmil](/molmil-images/mine/3d4f) | SHV-1 beta-lactamase complex with LN1-255 | Descriptor: | (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Pattanaik, P, Bethel, C.R, Hujer, A.M, Bonomo, R.A, Buynak, J.D, van den Akker, F. | Deposit date: | 2008-05-14 | Release date: | 2009-02-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Strategic Design of an Effective {beta}-Lactamase Inhibitor: LN-1-255, A 6-ALKYLIDENE-2'-SUBSTITUTED PENICILLIN SULFONE J.Biol.Chem., 284, 2009
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2A49
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![BU of 2a49 by Molmil](/molmil-images/mine/2a49) | Crystal structure of clavulanic acid bound to E166A variant of SHV-1 beta-lactamase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... | Authors: | Padayatti, P.S, Helfand, M.S, Totir, M.A, Carey, M.P, Carey, P.R, Bonomo, R.A, van den Akker, F. | Deposit date: | 2005-06-28 | Release date: | 2005-08-02 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | High Resolution Crystal Structures of the trans-Enamine Intermediates Formed by Sulbactam and Clavulanic Acid and E166A SHV-1 {beta}-Lactamase. J.Biol.Chem., 280, 2005
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2A3U
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![BU of 2a3u by Molmil](/molmil-images/mine/2a3u) | Crystal structure of sulbactam bound to E166A variant of SHV-1 beta-lactamase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... | Authors: | Padayatti, P.S, Helfand, M.S, Totir, M.A, Carey, M.P, Carey, P.R, Bonomo, R.A, van den Akker, F. | Deposit date: | 2005-06-27 | Release date: | 2005-08-02 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | High Resolution Crystal Structures of the trans-Enamine Intermediates Formed by Sulbactam and Clavulanic Acid and E166A SHV-1 {beta}-Lactamase. J.Biol.Chem., 280, 2005
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1CHQ
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![BU of 1chq by Molmil](/molmil-images/mine/1chq) | |
1CHP
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![BU of 1chp by Molmil](/molmil-images/mine/1chp) | |
1U5J
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![BU of 1u5j by Molmil](/molmil-images/mine/1u5j) | Propionibacterium shermanii transcarboxylase 5S subunit, Met186Ile | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | Deposit date: | 2004-07-27 | Release date: | 2004-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit. Embo J., 23, 2004
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7LLB
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![BU of 7llb by Molmil](/molmil-images/mine/7llb) | Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed meropenem | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LLH
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![BU of 7llh by Molmil](/molmil-images/mine/7llh) | KPC-2 F72Y mutant with acylated imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LJK
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![BU of 7ljk by Molmil](/molmil-images/mine/7ljk) | Crystal structure of the deacylation deficient KPC-2 F72Y mutant | Descriptor: | Beta-lactamase | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-01-29 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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3FYZ
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![BU of 3fyz by Molmil](/molmil-images/mine/3fyz) | OXA-24 beta-lactamase complex with SA4-17 inhibitor | Descriptor: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | Authors: | Romero, A, Santillana, E. | Deposit date: | 2009-01-23 | Release date: | 2010-02-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase. J.Am.Chem.Soc., 132, 2010
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3FZC
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![BU of 3fzc by Molmil](/molmil-images/mine/3fzc) | OXA-24 beta-lactamase complex with SA3-53 inhibitor | Descriptor: | (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL | Authors: | Romero, A, Santillana, E. | Deposit date: | 2009-01-24 | Release date: | 2010-02-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase. J.Am.Chem.Soc., 132, 2010
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3G4P
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![BU of 3g4p by Molmil](/molmil-images/mine/3g4p) | OXA-24 beta-lactamase at pH 7.5 | Descriptor: | Beta-lactamase OXA-24 | Authors: | Santillana, E, Romero, A. | Deposit date: | 2009-02-04 | Release date: | 2010-02-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase J.Am.Chem.Soc., 132, 2010
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1QCB
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![BU of 1qcb by Molmil](/molmil-images/mine/1qcb) | |