4ZAM
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4ZBE
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8G2R
| CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH AVIBACTAM | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Alsenani, T, van den Akker, F. | Deposit date: | 2023-02-06 | Release date: | 2023-08-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water. Antimicrob.Agents Chemother., 67, 2023
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8G2T
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5EE8
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5EEC
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4MBK
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4MBH
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4MBF
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3L6J
| Structure of cinaciguat (bay 58-2667) bound to nostoc H-NOX domain | Descriptor: | 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein | Authors: | Martin, F, van den Akker, F. | Deposit date: | 2009-12-23 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of cinaciguat (BAY 58-2667) bound to Nostoc H-NOX domain reveals insights into heme-mimetic activation of the soluble guanylyl cyclase. J.Biol.Chem., 285, 2010
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3MXR
| SHV-1 beta-lactamase complex with compound 1 | Descriptor: | ({[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Ke, W, van den Akker, F. | Deposit date: | 2010-05-07 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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3MXS
| SHV-1 beta-lactamase complex with compound 2 | Descriptor: | Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide | Authors: | Ke, W, van den Akker, F. | Deposit date: | 2010-05-07 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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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: | 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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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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7KIS
| Crystal structure of Pseudomonas aeruginosa PBP2 in complex with WCK 5153 | Descriptor: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Peptidoglycan D,D-transpeptidase MrdA | Authors: | Rajavel, M, van den Akker, F. | Deposit date: | 2020-10-24 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.869 Å) | Cite: | Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa. Mbio, 12, 2021
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4R3B
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3FV7
| OXA-24 beta-lactamase complex with SA4-44 inhibitor | Descriptor: | (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24 | Authors: | Bou, G, Santillana, E, Sheri, A, Beceiro, A, Sampson, J.M, Kalp, M, Bethel, C.R, Distler, A.M, Drawz, S.M, Pagadala, S.R, Van den Akker, F, Bonomo, R.A, Romero, A, Buynak, J.D. | Deposit date: | 2009-01-15 | Release date: | 2010-02-02 | 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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3HLS
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3V50
| Complex of SHV S130G mutant 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, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | Authors: | Wei, K, van den Akker, F. | Deposit date: | 2011-12-15 | Release date: | 2012-08-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants. Chemmedchem, 7, 2012
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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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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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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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