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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
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
6B1W
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BU of 6b1w by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by co-crystallization
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-19
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
6B22
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BU of 6b22 by Molmil
Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-19
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
6B1Y
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BU of 6b1y by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by co-crystallization
分子名称: (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-19
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
6B1F
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BU of 6b1f by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by soaking
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-18
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
6B1X
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BU of 6b1x by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by soaking
分子名称: (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-19
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
6B1J
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BU of 6b1j by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by soaking
分子名称: (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者van den Akker, F, Nguyen, N.Q.
登録日2017-09-18
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
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
6B1H
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BU of 6b1h by Molmil
Crystal structure KPC-2 beta-lactamase complexed with WCK 4234 by co-crystallization
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, ACETATE ION, CHLORIDE ION, ...
著者van den Akker, F, Nhuyen, N.Q.
登録日2017-09-18
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
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
7LLB
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BU of 7llb by Molmil
Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed meropenem
分子名称: (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC
著者Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V.
登録日2021-02-03
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase.
J.Biol.Chem., 296, 2021
7LJK
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BU of 7ljk by Molmil
Crystal structure of the deacylation deficient KPC-2 F72Y mutant
分子名称: Beta-lactamase
著者Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V.
登録日2021-01-29
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase.
J.Biol.Chem., 296, 2021
7LLH
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BU of 7llh by Molmil
KPC-2 F72Y mutant with acylated imipenem
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Carbapenem-hydrolyzing beta-lactamase KPC
著者Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V.
登録日2021-02-03
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase.
J.Biol.Chem., 296, 2021

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件を2024-07-24に公開中

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