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Structure paper

TitleStructural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
Journal, issue, pagesJ. Virol., Vol. 87, Page 4176-4184, Year 2013
Publish dateSep 22, 2010 (structure data deposition date)
AuthorsMittal, S. / Bandaranayake, R.M. / King, N.M. / Prabu-Jeyabalan, M. / Nalam, M.N. / Nalivaika, E.A. / Yilmaz, N.K. / Schiffer, C.A.
External linksJ. Virol. / PubMed:23365446
MethodsX-ray diffraction
Resolution1.65 - 1.95 Å
Structure data

PDB-3oxv:
Crystal Structure of HIV-1 I50V, A71 Protease in Complex with the protease inhibitor amprenavir.
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-3oxw:
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Darunavir
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-3oxx:
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Atazanavir
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-478:
{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER / protease inhibitor, medication*YM

ChemComp-PO4:
PHOSPHATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

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-EDO:
1,2-ETHANEDIOL

ChemComp-DR7:
(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, / medication, antiretroviral*YM

Source
  • hiv-1 m:b_arv2/sf2 (virus)
KeywordsHydrolase/Hydrolase Inhibitor / HIV-1 protease / inhibitor resistance / AIDS / Aspartyl protease / drug resistance / Hydrolase-Hydrolase Inhibitor complex

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