6DIS

Crystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71)

6DIS の概要

• エントリーDOI: 10.2210/pdb6dis/pdb
• 分子名称: NS3 protease, 1,1,1-trifluoro-2-methylpropan-2-yl [(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, SULFATE ION, ... (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/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: 22525.63

構造登録者

Matthew, A.N.,Schiffer, C.A. (登録日: 2018-05-23, 公開日: 2019-07-31, 最終更新日: 2023-10-11)

• 主引用文献: Matthew, A.N.,Schiffer, C.A.; Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope; To Be Published,

実験手法

X-RAY DIFFRACTION (1.921 Å)