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2H5S
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BU of 2h5s by Molmil
SA2-13 penam sulfone complexed to wt SHV-1 beta-lactamase
分子名称: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SHV-1 beta-lactamase
著者van den Akker, F, Padayatti, P.S.
登録日2006-05-27
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Rational Design of a beta-Lactamase Inhibitor Achieved via Stabilization of the trans-Enamine Intermediate: 1.28 A Crystal Structure of wt SHV-1 Complex with a Penam Sulfone.
J.Am.Chem.Soc., 128, 2006
7LGK
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BU of 7lgk by Molmil
Crystal structure of soluble guanylate cyclase activator runcaciguat (BAY 1101042) bound to nostoc H-NOX domain
分子名称: CHLORIDE ION, GLYCEROL, H-NOX domain protein, ...
著者van den Akker, F, Kumar, V, Schaefer, M.
登録日2021-01-20
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042).
J.Med.Chem., 64, 2021
7LAM
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BU of 7lam by Molmil
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N',N''-triacetylchitotriose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
著者van den Akker, F, Kumar, V.
登録日2021-01-06
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
7LAQ
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BU of 7laq by Molmil
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N'-diacetylchitobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
著者van den Akker, F, Kumar, V.
登録日2021-01-06
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
7LY1
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BU of 7ly1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with vaborbactam
分子名称: Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam
著者van den Akker, F, Kumar, V.
登録日2021-03-05
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the boronic acid beta-lactamase inhibitor vaborbactam binding to Pseudomonas aeruginosa penicillin-binding protein 3.
Plos One, 16, 2021
7KIV
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BU of 7kiv by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
著者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 (2.389 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
7KIW
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BU of 7kiw by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F, Kumar, V.
登録日2020-10-25
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 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
7KIT
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BU of 7kit by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with WCK 4234
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Peptidoglycan D,D-transpeptidase FtsI
著者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 (2.089 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
4GD6
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BU of 4gd6 by Molmil
SHV-1 beta-lactamase in complex with penam sulfone SA1-204
分子名称: (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者van den Akker, F, Wei, K.
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 (1.53 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
4DXC
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BU of 4dxc by Molmil
Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group
分子名称: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION
著者van den Akker, F, Ke, W.
登録日2012-02-27
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation.
Plos One, 7, 2012
2P08
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BU of 2p08 by Molmil
Structure of the N-terminally truncated PAS domain of signal transduction histidine kinase from Nostoc punctiforme PCC 73102 with homology to the H-NOXA/H-NOBA domain of the soluble guanylyl cyclase
分子名称: SULFATE ION, signal transduction histidine kinase
著者van den Akker, F, Ma, X.
登録日2007-02-28
公開日2007-11-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PAS-mediated dimerization of soluble guanylyl cyclase revealed by signal transduction histidine kinase domain crystal structure.
J.Biol.Chem., 283, 2008
2P04
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BU of 2p04 by Molmil
2.1 Ang structure of the dimerized PAS domain of signal transduction histidine kinase from Nostoc punctiforme PCC 73102 with homology to the H-NOXA/H-NOBA domain of the soluble guanylyl cyclase
分子名称: signal transduction histidine kinase
著者van den Akker, F, Ma, X.
登録日2007-02-28
公開日2007-11-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献PAS-mediated dimerization of soluble guanylyl cyclase revealed by signal transduction histidine kinase domain crystal structure.
J.Biol.Chem., 283, 2008
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
4R3B
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BU of 4r3b by Molmil
Crystal structure of SHV-1 b-lactamase in complex with 6b-(hydroxymethyl)penicillanic acid sulfone PSR-283A
分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
著者Rodkey, E.A, van den Akker, F.
登録日2014-08-14
公開日2015-01-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.366 Å)
主引用文献Detecting a Quasi-stable Imine Species on the Reaction Pathway of SHV-1 beta-Lactamase and 6 beta-(Hydroxymethyl)penicillanic Acid Sulfone.
Biochemistry, 54, 2015
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
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
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
4ZAM
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BU of 4zam by Molmil
Crystal structure of SHV-1 beta-lactamase bound to avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Krishnan, N, van den Akker, F.
登録日2015-04-13
公開日2016-01-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015
4ZBE
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BU of 4zbe by Molmil
Crystal structure of KPC-2 beta-lactamase complexed with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC
著者Nguyen, N.Q, van den Akker, F.
登録日2015-04-14
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015
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
8SDR
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BU of 8sdr by Molmil
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
8SDV
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BU of 8sdv by Molmil
Crystal structure of PDC-3 Y221H 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, DIMETHYL SULFOXIDE, ...
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 (1.42 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

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件を2024-10-02に公開中

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