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Structure paper

TitleDesign, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 859-863, Year 2006
Publish dateOct 17, 2005 (structure data deposition date)
AuthorsSmith III, A.B. / Charnley, A.K. / Harada, H. / Beiger, J.J. / Cantin, L.D. / Kenesky, C.S. / Hirschmann, R. / Munshi, S. / Olsen, D.B. / Stahlhut, M.W. ...Smith III, A.B. / Charnley, A.K. / Harada, H. / Beiger, J.J. / Cantin, L.D. / Kenesky, C.S. / Hirschmann, R. / Munshi, S. / Olsen, D.B. / Stahlhut, M.W. / Schleif, W.A. / Kuo, L.C.
External linksBioorg. Med. Chem. Lett. / PubMed:16298527
MethodsX-ray diffraction
Resolution1.35 - 1.7 Å
Structure data

PDB-2bb9:
Structure of HIV1 protease and AKC4p_133a complex.
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-2bbb:
Structure of HIV1 protease and hh1_173_3a complex.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-AKC:
2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE

ChemComp-HOH:
WATER

ChemComp-HH1:
(3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / protease

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