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TitleDistinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein.
Journal, issue, pagesJ. Virol., Vol. 86, Page 6643-6655, Year 2012
Publish dateMar 20, 2012 (structure data deposition date)
AuthorsLemke, C.T. / Titolo, S. / von Schwedler, U. / Goudreau, N. / Mercier, J.F. / Wardrop, E. / Faucher, A.M. / Coulombe, R. / Banik, S.S. / Fader, L. ...Lemke, C.T. / Titolo, S. / von Schwedler, U. / Goudreau, N. / Mercier, J.F. / Wardrop, E. / Faucher, A.M. / Coulombe, R. / Banik, S.S. / Fader, L. / Gagnon, A. / Kawai, S.H. / Rancourt, J. / Tremblay, M. / Yoakim, C. / Simoneau, B. / Archambault, J. / Sundquist, W.I. / Mason, S.W.
External linksJ. Virol. / PubMed:22496222
MethodsX-ray diffraction
Resolution1.7 - 1.8 Å
Structure data

PDB-4e91:
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4e92:
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-0OE:
4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid

ChemComp-0OF:
(3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione

ChemComp-IOD:
IODIDE ION

ChemComp-HOH:
WATER

ChemComp-0OG:
3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid

Source
  • human immunodeficiency virus 1
KeywordsSTRUCTURAL PROTEIN/INHIBITOR / Structural protein Capsid / STRUCTURAL PROTEIN / STRUCTURAL PROTEIN-INHIBITOR complex

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