7L7O

Crystal structure of HCV NS3/4A D168A protease in complex with NR04-49

7L7O の概要

• エントリーDOI: 10.2210/pdb7l7o/pdb
• 分子名称: NS3/4A protease, ZINC ION, (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(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: 22460.70

構造登録者

Zephyr, J.,Schiffer, C.A. (登録日: 2020-12-29, 公開日: 2021-09-01, 最終更新日: 2023-10-18)

• 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; PubMed: 34405680; DOI: 10.1021/acs.jmedchem.1c00554

実験手法

X-RAY DIFFRACTION (1.72 Å)