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TitleDiscovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 27, Page 1840-1847, Year 2017
Publish dateJan 16, 2017 (structure data deposition date)
AuthorsKirschberg, T.A. / Metobo, S. / Clarke, M.O. / Aktoudianakis, V. / Babusis, D. / Barauskas, O. / Birkus, G. / Butler, T. / Byun, D. / Chin, G. ...Kirschberg, T.A. / Metobo, S. / Clarke, M.O. / Aktoudianakis, V. / Babusis, D. / Barauskas, O. / Birkus, G. / Butler, T. / Byun, D. / Chin, G. / Doerffler, E. / Edwards, T.E. / Fenaux, M. / Lee, R. / Lew, W. / Mish, M.R. / Murakami, E. / Park, Y. / Squires, N.H. / Tirunagari, N. / Wang, T. / Whitcomb, M. / Xu, J. / Yang, H. / Ye, H. / Zhang, L. / Appleby, T.C. / Feng, J.Y. / Ray, A.S. / Cho, A. / Kim, C.U.
External linksBioorg. Med. Chem. Lett. / PubMed:28274633
MethodsX-ray diffraction
Resolution2.9 Å
Structure data

PDB-5uj2:
Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-8B4:
(1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
  • hepatitis c virus
Keywordsimmune system/RNA / HCV / VIRAL / NS5B / RDRP / RESISTANCE MUTATION / SOFOSBUVIR / SOVALDI / VIRUNON / GS7977-DP / GS-639476 / TEMPLATE / PRIMER / immune system-RNA complex

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