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TitleMonitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series.
Journal, issue, pagesChemmedchem, Vol. 8, Page 405-414, Year 2013
Publish dateJan 4, 2013 (structure data deposition date)
AuthorsGoudreau, N. / Coulombe, R. / Faucher, A.M. / Grand-Maitre, C. / Lacoste, J.E. / Lemke, C.T. / Malenfant, E. / Bousquet, Y. / Fader, L. / Simoneau, B. ...Goudreau, N. / Coulombe, R. / Faucher, A.M. / Grand-Maitre, C. / Lacoste, J.E. / Lemke, C.T. / Malenfant, E. / Bousquet, Y. / Fader, L. / Simoneau, B. / Mercier, J.F. / Titolo, S. / Mason, S.W.
External linksChemmedchem / PubMed:23401268
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-4inb:
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With benzodiazepine Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-1F6:
(3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsVIRAL PROTEIN/VIRAL PROTEIN INHIBITOR / STRUCTURAL PROTEIN / CAPSID / VIRAL PROTEIN / VIRAL PROTEIN-VIRAL PROTEIN INHIBITOR complex

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