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Structure paper

TitleA Macrocyclic Hcv Ns3/4A Protease Inhibitor Interacts with Protease and Helicase Residues in the Complex with its Full- Length Target.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 108, Page 21052-, Year 2011
Publish dateNov 23, 2011 (structure data deposition date)
AuthorsSchiering, N. / D'Arcy, A. / Villard, F. / Simic, O. / Kamke, M. / Monnet, G. / Hassiepen, U. / Svergun, D.I. / Pulfer, R. / Eder, J. ...Schiering, N. / D'Arcy, A. / Villard, F. / Simic, O. / Kamke, M. / Monnet, G. / Hassiepen, U. / Svergun, D.I. / Pulfer, R. / Eder, J. / Raman, P. / Bodendorf, U.
External linksProc. Natl. Acad. Sci. USA / PubMed:22160684
MethodsX-ray diffraction
Resolution2.73 Å
Structure data

PDB-4a92:
Full-length HCV NS3-4A protease-helicase in complex with a macrocyclic protease inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.73 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-F9K:
(1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE

ChemComp-HOH:
WATER

Source
  • hepatitis c virus
KeywordsHYDROLASE / DRUG DESIGN

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