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TitleDiscovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1.
Journal, issue, pagesACS Med Chem Lett, Vol. 5, Page 422-427, Year 2014
Publish dateDec 10, 2013 (structure data deposition date)
AuthorsFader, L.D. / Malenfant, E. / Parisien, M. / Carson, R. / Bilodeau, F. / Landry, S. / Pesant, M. / Brochu, C. / Morin, S. / Chabot, C. ...Fader, L.D. / Malenfant, E. / Parisien, M. / Carson, R. / Bilodeau, F. / Landry, S. / Pesant, M. / Brochu, C. / Morin, S. / Chabot, C. / Halmos, T. / Bousquet, Y. / Bailey, M.D. / Kawai, S.H. / Coulombe, R. / LaPlante, S. / Jakalian, A. / Bhardwaj, P.K. / Wernic, D. / Schroeder, P. / Amad, M. / Edwards, P. / Garneau, M. / Duan, J. / Cordingley, M. / Bethell, R. / Mason, S.W. / Bos, M. / Bonneau, P. / Poupart, M.A. / Faucher, A.M. / Simoneau, B. / Fenwick, C. / Yoakim, C. / Tsantrizos, Y.
External linksACS Med Chem Lett / PubMed:24900852
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-4nyf:
HIV integrase in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-4BI:
(2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid

ChemComp-CD:
Unknown entry

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Allosteric Inhibitor / NCINI / TRANSFERASE-TRANSFERASE INHIBITOR complex

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