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Structure paper

TitlePotent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 4509-4515, Year 2007
Publish dateJun 19, 2007 (structure data deposition date)
AuthorsWang, Y.F. / Tie, Y. / Boross, P.I. / Tozser, J. / Ghosh, A.K. / Harrison, R.W. / Weber, I.T.
External linksJ. Med. Chem. / PubMed:17696515
MethodsX-ray diffraction
Resolution1.11 - 1.6 Å
Structure data

PDB-2qci:
HIV-1 Protease mutant D30N with potent Antiviral inhibitor GRL-98065
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-2qd6:
HIV-1 Protease Mutant I50V with potent Antiviral inhibitor GRL-98065
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

PDB-2qd7:
HIV-1 Protease Mutant V82A with potent Antiviral inhibitor GRL-98065
Method: X-RAY DIFFRACTION / Resolution: 1.11 Å

PDB-2qd8:
HIV-1 Protease Mutant I84V with potent Antiviral inhibitor GRL-98065
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-2z4o:
Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-98065
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-065:
(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE

ChemComp-HOH:
WATER

ChemComp-PO4:
PHOSPHATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-GOL:
GLYCEROL

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / HIV-1 / mutant D30N / protease inhibitor / HIV-1 protease mutant I50V / HIV-1 protease mutant V82A / HIV-1 protease mutant I84V / wild type protease

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