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8SDN
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BU of 8sdn by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase
分子名称: Beta-lactamase, 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 (2.1 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
8SDT
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BU of 8sdt by Molmil
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
8SDS
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BU of 8sds by Molmil
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
3V50
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BU of 3v50 by Molmil
Complex of SHV S130G mutant 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, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Wei, K, van den Akker, F.
登録日2011-12-15
公開日2012-08-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants.
Chemmedchem, 7, 2012
8G2T
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BU of 8g2t by Molmil
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
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
4MBK
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BU of 4mbk by Molmil
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
4IAE
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BU of 4iae by Molmil
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
5IXX
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BU of 5ixx by Molmil
Crystal structure of the signaling protein complex 4
分子名称: 1-(1H-imidazol-1-yl)ethan-1-one, Alr2278 protein, MALONATE ION, ...
著者Kumar, V, van den Akker, F.
登録日2016-03-23
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of the signaling protein complex 4
To Be Published
5IXR
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BU of 5ixr by Molmil
Crystal Structure of C139A nostoc H-NOX domain with imidazole
分子名称: Alr2278 protein, IMIDAZOLE, MALONATE ION, ...
著者Kumar, V, van den Akker, F.
登録日2016-03-23
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of C139A nostoc H-NOX domain with imidazole
To Be Published
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
5IXW
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BU of 5ixw by Molmil
Crystal structure of the signaling protein complex 3
分子名称: 1-VINYLIMIDAZOLE, Alr2278 protein, MALONATE ION, ...
著者Kumar, V, van den Akker, F.
登録日2016-03-23
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Crystal structure of the signaling protein complex 3
To Be Published
4FCF
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BU of 4fcf by Molmil
K234R: apo structure of inhibitor resistant beta-lactamase
分子名称: 2-AMINOETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Rodkey, E.A, van den Akker, F.
登録日2012-05-24
公開日2012-12-26
最終更新日2013-10-02
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献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
5IXV
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BU of 5ixv by Molmil
Crystal structure of the signaling protein complex 2
分子名称: 1-METHYLIMIDAZOLE, Alr2278 protein, MALONATE ION, ...
著者Kumar, V, van den Akker, F.
登録日2016-03-23
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the signaling protein complex 2
To Be Published
5IXZ
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BU of 5ixz by Molmil
Crystal structure of the signaling protein complex 5
分子名称: Alr2278 protein, DIMETHYL SULFOXIDE, MALONATE ION, ...
著者Kumar, V, van den Akker, F.
登録日2016-03-23
公開日2017-11-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the signaling protein complex 5
To Be Published
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
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
4MBH
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BU of 4mbh by Molmil
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2024-10-09
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
4FH4
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BU of 4fh4 by Molmil
high-resolution structure of apo wt SHV-1 beta-lactamase
分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Rodkey, E.A, van den Akker, F.
登録日2012-06-05
公開日2012-09-26
最終更新日2013-07-24
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献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
4GDB
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BU of 4gdb by Molmil
SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor
分子名称: (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, ...
著者Ke, W, van den Akker, F.
登録日2012-07-31
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
4GD8
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BU of 4gd8 by Molmil
SHV-1 beta-lactamase in complex with penam sulfone SA3-53
分子名称: (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
著者Pattanaik, P, van den Akker, F.
登録日2012-07-31
公開日2013-07-31
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
4FH2
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BU of 4fh2 by Molmil
Structure of s70c beta-lactamase bound to sulbactam
分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SULBACTAM
著者Rodkey, E.A, van den Akker, F.
登録日2012-06-05
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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
4FD8
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BU of 4fd8 by Molmil
Structure of apo S70C SHV beta-lactamase
分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Rodkey, E.A, van den Akker, F.
登録日2012-05-26
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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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件を2024-10-09に公開中

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