6NZV

Crystal structure of HCV NS3/4A protease in complex with compound 12

6NZV の概要

• エントリーDOI: 10.2210/pdb6nzv/pdb
• 関連するPDBエントリー: 6NZT
• 分子名称: HCV NS3/4A protease, (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: viral protease inhibitor, voxilaprevir, hepatitis c virus, viral protein, viral protein-inhibitor complex, viral protein/inhibitor
• 由来する生物種: Hepatitis C virus subtype 1a
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 22510.80

構造登録者

Appleby, T.C.,Taylor, J.G. (登録日: 2019-02-14, 公開日: 2019-07-10, 最終更新日: 2023-10-11)

• 主引用文献: Taylor, J.G.,Zipfel, S.,Ramey, K.,Vivian, R.,Schrier, A.,Karki, K.K.,Katana, A.,Kato, D.,Kobayashi, T.,Martinez, R.,Sangi, M.,Siegel, D.,Tran, C.V.,Yang, Z.Y.,Zablocki, J.,Yang, C.Y.,Wang, Y.,Wang, K.,Chan, K.,Barauskas, O.,Cheng, G.,Jin, D.,Schultz, B.E.,Appleby, T.,Villasenor, A.G.,Link, J.O.; Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.; Bioorg.Med.Chem.Lett., 29:2428-2436, 2019; PubMed: 31133531; DOI: 10.1016/j.bmcl.2019.03.037

実験手法

X-RAY DIFFRACTION (1.55 Å)