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PDB: 116 件
8SDR
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Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor LP-06
分子名称: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Kumar, V, van den Akker, F.
登録日2023-04-07
公開日2023-08-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 2023
8SDT
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Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor S02030
分子名称: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, IMIDAZOLE
著者Kumar, V, van den Akker, F.
登録日2023-04-07
公開日2023-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDL
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BU of 8sdl by Molmil
Crystal structure of PDC-3 beta-lactamase
分子名称: Beta-lactamase, IMIDAZOLE, ISOPROPYL ALCOHOL
著者Kumar, V, van den Akker, F.
登録日2023-04-07
公開日2023-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDS
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Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor LP-06
分子名称: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Kumar, V, van den Akker, F.
登録日2023-04-07
公開日2023-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
5EE8
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BU of 5ee8 by Molmil
Crystal structure of S02030 boronic acid inhibitor complexed to SHV-1 beta-lactamase
分子名称: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Krishnan, N, van den Akker, F.
登録日2015-10-22
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Antimicrob.Agents Chemother., 60, 2016
5EEC
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BU of 5eec by Molmil
Crystal structure of KPC-2 beta-lactamase in complex with the S02030 boronic acid inhibitor
分子名称: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
著者Nguyen, N.Q, van den Akker, F.
登録日2015-10-22
公開日2016-02-03
最終更新日2016-03-09
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Antimicrob.Agents Chemother., 60, 2016
8G2R
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BU of 8g2r by Molmil
CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH AVIBACTAM
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC
著者Alsenani, T, van den Akker, F.
登録日2023-02-06
公開日2023-08-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Antimicrob.Agents Chemother., 67, 2023
8G2T
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CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH RELEBACTAM (IMINE HYDROLYSIS INTERMEDIATE)
分子名称: (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION
著者Alsenani, T, van den Akker, F.
登録日2023-02-06
公開日2023-08-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Antimicrob.Agents Chemother., 67, 2023
7KIS
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BU of 7kis by Molmil
Crystal structure of Pseudomonas aeruginosa PBP2 in complex with WCK 5153
分子名称: (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Peptidoglycan D,D-transpeptidase MrdA
著者Rajavel, M, van den Akker, F.
登録日2020-10-24
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.869 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
3HLS
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BU of 3hls by Molmil
Crystal structure of the signaling helix coiled-coil doimain of the BETA-1 subunit of the soluble guanylyl cyclase
分子名称: Guanylate cyclase soluble subunit beta-1
著者Ma, X, van den Akker, F.
登録日2009-05-28
公開日2010-01-19
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the signaling helix coiled-coil domain of the beta-1 subunit of the soluble guanylyl cyclase.
Bmc Struct.Biol., 10, 2010
3L6J
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BU of 3l6j by Molmil
Structure of cinaciguat (bay 58-2667) bound to nostoc H-NOX domain
分子名称: 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein
著者Martin, F, van den Akker, F.
登録日2009-12-23
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
4IAH
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BU of 4iah by Molmil
Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122
分子名称: 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION
著者Kumar, V, van den Akker, F.
登録日2012-12-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
4IAE
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Crystal structure of BAY 60-2770 bound to nostoc H-NOX domain
分子名称: 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION
著者Kumar, V, van den Akker, F, Martin, F.
登録日2012-12-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
4IAM
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BU of 4iam by Molmil
Crystal Structure of the C139A mutant of nostoc H-NOX domain
分子名称: Alr2278 protein, MALONATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Kumar, V, van den Akker, F.
登録日2012-12-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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
4JPM
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BU of 4jpm by Molmil
Structure of SHV-1 beta-lactamase in complex with the 7-alkylidenecephalosporin DCM-1-10 at 1.14 Ang resolution
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 7-alkylidenecephalosporin DCM-1-10, bound form, ...
著者Rodkey, E.A, van den Akker, F.
登録日2013-03-19
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献beta-Lactamase Inhibition by 7-Alkylidenecephalosporin Sulfones: Allylic Transposition and Formation of an Unprecedented Stabilized Acyl-Enzyme.
J.Am.Chem.Soc., 135, 2013
4JQH
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BU of 4jqh by Molmil
Crystal structure of a new sGC activator (analogue of BAY 58-2667) bound to nostoc H-NOX domain
分子名称: 4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid, Alr2278 protein, MALONIC ACID
著者Kumar, V, van den Akker, F.
登録日2013-03-20
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into soluble guanylyl cyclase activation derived from improved heme-mimetics.
J.Med.Chem., 56, 2013
3MXS
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BU of 3mxs by Molmil
SHV-1 beta-lactamase complex with compound 2
分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide
著者Ke, W, van den Akker, F.
登録日2010-05-07
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献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
3MXR
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BU of 3mxr by Molmil
SHV-1 beta-lactamase complex with compound 1
分子名称: ({[(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
著者Ke, W, van den Akker, F.
登録日2010-05-07
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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
4MBH
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Penam sulfone PSR-3-226 bound to E166A variant of SHV-1 beta-lactamase
分子名称: 3-(formylamino)-L-alanine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, ...
著者Rodkey, E.A, van den Akker, F.
登録日2013-08-19
公開日2014-07-30
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Penam sulfones and beta-lactamase inhibition: SA2-13 and the importance of the C2 side chain length and composition.
Plos One, 9, 2014
4MBF
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BU of 4mbf by Molmil
Crystal structure of Penam sulfone PSR-4-157 bound to SHV-1 beta-lactamase
分子名称: 6-({(2R,3S)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Rodkey, E.A, van den Akker, F.
登録日2013-08-19
公開日2014-07-30
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Penam sulfones and beta-lactamase inhibition: SA2-13 and the importance of the C2 side chain length and composition.
Plos One, 9, 2014
4MBK
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Crystal structure of K234R inhibitor-resistant variant of SHV beta-lactamase in complex with SA2-13
分子名称: (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
著者Rodkey, E.A, van den Akker, F.
登録日2013-08-19
公開日2014-07-30
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Penam sulfones and beta-lactamase inhibition: SA2-13 and the importance of the C2 side chain length and composition.
Plos One, 9, 2014
3OPP
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ESBL R164S mutant of SHV-1 beta-lactamase complexed with SA2-13
分子名称: (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
著者Sampson, J.M, van den Akker, F.
登録日2010-09-01
公開日2011-07-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
3OPL
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ESBL R164H mutant SHV-1 beta-lactamase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Sampson, J.M, van den Akker, F.
登録日2010-09-01
公開日2011-07-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
3OPR
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BU of 3opr by Molmil
ESBL R164H mutant of SHV-1 beta-lactamase complexed to SA2-13
分子名称: (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
著者Sampson, J.M, van den Akker, F.
登録日2010-09-01
公開日2011-07-13
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase.
Antimicrob.Agents Chemother., 55, 2011
3MBZ
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OXA-24 beta-lactamase complex soaked with 10mM SA4-17 inhibitor for 15min
分子名称: (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Betalactamase OXA24, SULFATE ION
著者Sampson, J, van den Akker, F.
登録日2010-03-26
公開日2011-03-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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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