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TitleThe design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 2959-2966, Year 2008
Publish dateFeb 5, 2008 (structure data deposition date)
AuthorsTucker, T.J. / Saggar, S. / Sisko, J.T. / Tynebor, R.M. / Williams, T.M. / Felock, P.J. / Flynn, J.A. / Lai, M.T. / Liang, Y. / McGaughey, G. ...Tucker, T.J. / Saggar, S. / Sisko, J.T. / Tynebor, R.M. / Williams, T.M. / Felock, P.J. / Flynn, J.A. / Lai, M.T. / Liang, Y. / McGaughey, G. / Liu, M. / Miller, M. / Moyer, G. / Munshi, V. / Perlow-Poehnelt, R. / Prasad, S. / Sanchez, R. / Torrent, M. / Vacca, J.P. / Wan, B.L. / Yan, Y.
External linksBioorg. Med. Chem. Lett. / PubMed:18396399
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-3c6t:
Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-3c6u:
Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-M14:
2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide

ChemComp-HOH:
WATER

ChemComp-M22:
3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile

Source
  • hiv-1 m:b_hxb2r (virus)
KeywordsTRANSFERASE / HIV-1 reverse transcriptase / non-nucleoside inhibition / nucleotidyltrasferase / AIDS / Aspartyl protease / Capsid maturation / Capsid protein / Cytoplasm / DNA integration / DNA recombination / DNA-directed DNA polymerase / Endonuclease / Host-virus interaction / Hydrolase / Lipoprotein / Magnesium / Membrane / Metal-binding / Multifunctional enzyme / Myristate / Nuclease / Nucleotidyltransferase / Nucleus / Phosphoprotein / Protease / RNA-binding / RNA-directed DNA polymerase / Viral nucleoprotein / Virion / Zinc / Zinc-finger

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