5EEC
 
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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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4ZBE
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4ZAM
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4JQH
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4MBH
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4MBF
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4JPM
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4MBK
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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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3MBZ
 | | OXA-24 beta-lactamase complex soaked with 10mM SA4-17 inhibitor for 15min | | Descriptor: | (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Betalactamase OXA24, SULFATE ION | | Authors: | Sampson, J, van den Akker, F. | | Deposit date: | 2010-03-26 | | Release date: | 2011-03-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 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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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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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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2O0G
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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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2O0C
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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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2O09
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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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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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4IAH
 | | Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122 | | 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. | | Deposit date: | 2012-12-06 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 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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