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Structure paper

TitleUltra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 1788-1794, Year 2006
Publish dateDec 13, 2005 (structure data deposition date)
AuthorsMiller, J.F. / Andrews, C.W. / Brieger, M. / Furfine, E.S. / Hale, M.R. / Hanlon, M.H. / Hazen, R.J. / Kaldor, I. / McLean, E.W. / Reynolds, D. ...Miller, J.F. / Andrews, C.W. / Brieger, M. / Furfine, E.S. / Hale, M.R. / Hanlon, M.H. / Hazen, R.J. / Kaldor, I. / McLean, E.W. / Reynolds, D. / Sammond, D.M. / Spaltenstein, A. / Tung, R. / Turner, E.M. / Xu, R.X. / Sherrill, R.G.
External linksBioorg. Med. Chem. Lett. / PubMed:16458505
MethodsX-ray diffraction
Resolution1.58 - 2.7 Å
Structure data

PDB-2fdd:
Crystal structure of HIV protease D545701 bound with GW0385
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-2fde:
Wild type HIV protease bound with GW0385
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-385:
(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE / protease inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-K:
Unknown entry

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / HIV protease / inhibitor / gw0385

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