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Structure paper

TitleEffectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 1379-1387, Year 2006
Publish dateDec 1, 2005 (structure data deposition date)
AuthorsKovalevsky, A.Y. / Tie, Y. / Liu, F. / Boross, P.I. / Wang, Y.F. / Leshchenko, S. / Ghosh, A.K. / Harrison, R.W. / Weber, I.T.
External linksJ. Med. Chem. / PubMed:16480273
MethodsX-ray diffraction
Resolution1.22 - 1.45 Å
Structure data

PDB-2f80:
HIV-1 Protease mutant D30N complexed with inhibitor TMC114
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-2f81:
HIV-1 Protease mutant L90M complexed with inhibitor TMC114
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-2f8g:
HIV-1 protease mutant I50V complexed with inhibitor TMC114
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-017:
(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE / medication, antiretroviral*YM

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-ACY:
ACETIC ACID

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / protein-inhibitor complex / HIV-1 protease-inhibitor complex

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