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PDB: 71 件
4ZBE
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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
6B1Y
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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
6B1H
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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
7LJK
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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
7LNL
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Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem
分子名称: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-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2021-02-07
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 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
2OV5
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Crystal structure of the KPC-2 carbapenemase
分子名称: BICINE, Carbapenemase
著者Ke, W, Bethel, C.R, Thomson, J.M, Bonomo, R.A, van den Akker, F.
登録日2007-02-13
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of KPC-2: Insights into Carbapenemase Activity in Class A beta-Lactamases.
Biochemistry, 46, 2007
6MLL
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Crystal structure of KPC-2 with compound 7
分子名称: 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Akhtar, A, Chen, Y.
登録日2018-09-27
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
3E2L
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Crystal Structure of the KPC-2 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP)
分子名称: Beta-lactamase inhibitory protein, Carbapenemase
著者Hanes, M.S, Jude, K.M, Berger, J.M, Kirsch, J.F, Bonomo, R.A, Handel, T.M.
登録日2008-08-05
公開日2009-08-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural and biochemical characterization of the interaction between KPC-2 beta-lactamase and beta-lactamase inhibitor protein
Biochemistry, 48, 2009
5EEC
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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
6JN4
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
7U9B
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Crystal structure of indoline 7 with KPC-2
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, [(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone
著者Akhtar, A, Chen, Y.
登録日2022-03-10
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
6JN5
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
分子名称: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6XJ8
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KPC-2 N170A mutant bound to hydrolyzed imipenem at 2.05 A
分子名称: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC
著者Pemberton, O.A, Chen, Y.
登録日2020-06-23
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
3E2K
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BU of 3e2k by Molmil
Crystal Structure of the KPC-2 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP)
分子名称: Beta-lactamase inhibitory protein, Carbapenemase
著者Hanes, M.S, Jude, K.M, Berger, J.M, Bonomo, R.A, Handel, T.M.
登録日2008-08-05
公開日2009-08-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical characterization of the interaction between KPC-2 beta-lactamase and beta-lactamase inhibitor protein
Biochemistry, 48, 2009
7LLH
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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
6MNP
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Crystal structure of KPC-2 with compound 6
分子名称: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Akhtar, A, Chen, Y.
登録日2018-10-02
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6JN3
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
7UA7
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Crystal structure of indoline 9 with KPC-2
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate
著者Akhtar, A, Chen, Y.
登録日2022-03-11
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Probing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
To Be Published
7E9A
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Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S))
分子名称: 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-03-03
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance.
Chem.Commun.(Camb.), 57, 2021
7VQN
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Crystal structure of KPC-2 beta-lactamase complexed with hydrolyzed EXW-1
分子名称: (2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
著者Xie, H.X.
登録日2021-10-20
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of KPC-2 beta-lactamase complexed with hydrolyzed EXW-1
To Be Published
7TBX
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Crystal structure of D179Y KPC-2 beta-lactamase
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC
著者van den Akker, F, Alsenani, T.
登録日2021-12-22
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
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