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TitleDiscovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 29, Page 2428-2436, Year 2019
Publish dateFeb 14, 2019 (structure data deposition date)
AuthorsTaylor, J.G. / Zipfel, S. / Ramey, K. / Vivian, R. / Schrier, A. / Karki, K.K. / Katana, A. / Kato, D. / Kobayashi, T. / Martinez, R. ...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.
External linksBioorg. Med. Chem. Lett. / PubMed:31133531
MethodsX-ray diffraction
Resolution1.4 - 1.55 Å
Structure data

PDB-6nzt:
Crystal structure of HCV NS3/4A protease in complex with voxilaprevir
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-6nzv:
Crystal structure of HCV NS3/4A protease in complex with compound 12
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-L9P:
Voxilaprevir / protease inhibitor*YM

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-L9J:
(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

Source
  • hepatitis c virus
  • hepatitis c virus subtype 1a
Keywordsviral protein/inhibitor / viral protease inhibitor / voxilaprevir / hepatitis C virus / VIRAL PROTEIN / viral protein-inhibitor complex

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