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Structure paper

TitleBinding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 107, Page 308-313, Year 2010
Publish dateNov 16, 2009 (structure data deposition date)
AuthorsRoymans, D. / De Bondt, H.L. / Arnoult, E. / Geluykens, P. / Gevers, T. / Van Ginderen, M. / Verheyen, N. / Kim, H. / Willebrords, R. / Bonfanti, J.F. ...Roymans, D. / De Bondt, H.L. / Arnoult, E. / Geluykens, P. / Gevers, T. / Van Ginderen, M. / Verheyen, N. / Kim, H. / Willebrords, R. / Bonfanti, J.F. / Bruinzeel, W. / Cummings, M.D. / van Vlijmen, H. / Andries, K.
External linksProc. Natl. Acad. Sci. USA / PubMed:19966279
MethodsX-ray diffraction
Resolution1.47 Å
Structure data

PDB-3kpe:
Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

Chemicals

ChemComp-TM3:
2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • human respiratory syncytial virus
KeywordsVIRAL PROTEIN / FUSION PROTEIN / peptide-small-molecule complex / alpha helix / coiled-coil / Envelope protein / Glycoprotein / Host cell membrane / Host membrane / Lipoprotein / Membrane / Palmitate / Transmembrane / Virion

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