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Structure paper

TitleStructure-Based Design of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 5252-5261, Year 2006
Publish dateJun 13, 2006 (structure data deposition date)
AuthorsGhosh, A.K. / Sridhar, P.R. / Leshchenko, S. / Hussain, A.K. / Li, J. / Kovalevsky, A.Y. / Walters, D.E. / Wedekind, J.E. / Grum-Tokars, V. / Das, D. ...Ghosh, A.K. / Sridhar, P.R. / Leshchenko, S. / Hussain, A.K. / Li, J. / Kovalevsky, A.Y. / Walters, D.E. / Wedekind, J.E. / Grum-Tokars, V. / Das, D. / Koh, Y. / Maeda, K. / Gatanaga, H. / Weber, I.T. / Mitsuya, H.
External linksJ. Med. Chem. / PubMed:16913714
MethodsX-ray diffraction
Resolution1.35 Å
Structure data

PDB-2hb3:
Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-GRL:
(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / active-site cavity protease inhibitor catalytic aspartic acid

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