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TitleDesign of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 69, Page 298-313, Year 2007
Publish dateMay 7, 2007 (structure data deposition date)
AuthorsChellappan, S. / Kiran Kumar Reddy, G.S. / Ali, A. / Nalam, M.N. / Anjum, S.G. / Cao, H. / Kairys, V. / Fernandes, M.X. / Altman, M.D. / Tidor, B. ...Chellappan, S. / Kiran Kumar Reddy, G.S. / Ali, A. / Nalam, M.N. / Anjum, S.G. / Cao, H. / Kairys, V. / Fernandes, M.X. / Altman, M.D. / Tidor, B. / Rana, T.M. / Schiffer, C.A. / Gilson, M.K.
External linksChem. Biol. Drug Des. / PubMed:17539822
MethodsX-ray diffraction
Resolution1.75 - 1.93 Å
Structure data

PDB-2psu:
Crystal Structure of wild type HIV-1 protease in complex with CARB-AD37
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-2psv:
Crystal Structure of wild type HIV-1 protease in complex with CARB-KB45
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-ACT:
ACETATE ION

ChemComp-MUU:
N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE

ChemComp-HOH:
WATER

ChemComp-MUV:
N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / Drug design / HIV-1 protease / protease inhibitor / Protease inhibitors

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