7L7N
Crystal structure of HCV NS3/4A D168A protease in complex with NR02-59
7L7N の概要
エントリーDOI | 10.2210/pdb7l7n/pdb |
分子名称 | NS3 protease, ZINC ION, 1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, ... (6 entities in total) |
機能のキーワード | ns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor |
由来する生物種 | Hepacivirus C |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 24743.08 |
構造登録者 | |
主引用文献 | Nageswara Rao, D.,Zephyr, J.,Henes, M.,Chan, E.T.,Matthew, A.N.,Hedger, A.K.,Conway, H.L.,Saeed, M.,Newton, A.,Petropoulos, C.J.,Huang, W.,Kurt Yilmaz, N.,Schiffer, C.A.,Ali, A. Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64:11972-11989, 2021 Cited by PubMed: 34405680DOI: 10.1021/acs.jmedchem.1c00554 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.59 Å) |
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