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Structure paper

TitleMolecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
Journal, issue, pagesJ. Biol. Chem., Vol. 288, Page 5673-5681, Year 2013
Publish dateNov 23, 2012 (structure data deposition date)
AuthorsO'Meara, J.A. / Lemke, C.T. / Godbout, C. / Kukolj, G. / Lagace, L. / Moreau, B. / Thibeault, D. / White, P.W. / Llinas-Brunet, M.
External linksJ. Biol. Chem. / PubMed:23271737
MethodsX-ray diffraction
Resolution1.9001 - 2.3001 Å
Structure data

PDB-4i31:
Crystal structure of HCV NS3/NS4A protease complexed with compound 4
Method: X-RAY DIFFRACTION / Resolution: 1.9301 Å

PDB-4i32:
Crystal structure of HCV NS3/4A D168V protease complexed with compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.3001 Å

PDB-4i33:
Crystal structure of HCV NS3/4A R155K protease complexed with compound 4
Method: X-RAY DIFFRACTION / Resolution: 1.9001 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-1BV:
(2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide

ChemComp-HOH:
WATER

Source
  • hepatitis c virus
KeywordsHydrolase/Hydrolase inhibitor / Hepatitis C Virus / NS3 / NS4A / protein-inhibitor complex compound 4 / serine protease / Hydrolase-Hydrolase inhibitor complex / D168V / R155K

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