7MME

Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-15

7MME の概要

• エントリーDOI: 10.2210/pdb7mme/pdb
• 分子名称: NS3/4A protease, tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-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, ZINC ION, ... (7 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, viral protein, 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: 22662.96

構造登録者

Zephyr, J.,Schiffer, C.A. (登録日: 2021-04-29, 公開日: 2022-08-31, 最終更新日: 2023-10-18)

• 主引用文献: Zephyr, J.,Nageswara Rao, D.; Deciphering the Molecular Mechanism and Role of Fluorination in HCV Protease Inhibitor Potency and Drug Resistance; To Be Published,

実験手法

X-RAY DIFFRACTION (1.56 Å)