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TitleDesign, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation.
Journal, issue, pagesJ. Med. Chem., Vol. 51, Page 852-860, Year 2008
Publish dateJan 5, 2006 (structure data deposition date)
AuthorsClemente, J.C. / Robbins, A. / Grana, P. / Paleo, M.R. / Correa, J.F. / Villaverde, M.C. / Sardina, F.J. / Govindasamy, L. / Agbandje-McKenna, M. / McKenna, R. ...Clemente, J.C. / Robbins, A. / Grana, P. / Paleo, M.R. / Correa, J.F. / Villaverde, M.C. / Sardina, F.J. / Govindasamy, L. / Agbandje-McKenna, M. / McKenna, R. / Dunn, B.M. / Sussman, F.
External linksJ. Med. Chem. / PubMed:18215016
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-2fle:
Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-AI:
(2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
Keywordshydrolase/hydrolase inhibitor / HIV-1 protease / inhibitor / resistance / induced fit / hydrolase-hydrolase inhibitor COMPLEX

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