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Structure paper

TitleInvestigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Journal, issue, pagesCryst. Growth Des., Vol. 11, Page 4378-4385, Year 2011
Publish dateJun 8, 2010 (structure data deposition date)
AuthorsOlajuyigbe, F.M. / Demitri, N. / Geremia, S.
External linksCryst. Growth Des. / Search PubMed
MethodsX-ray diffraction
Resolution1.03 - 1.72 Å
Structure data

PDB-3ndt:
HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-3ndu:
HIV-1 Protease Saquinavir:Ritonavir 1:5 complex structure
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-3ndw:
HIV-1 Protease Saquinavir:Ritonavir 1:15 complex structure
Method: X-RAY DIFFRACTION / Resolution: 1.14 Å

PDB-3ndx:
HIV-1 Protease Saquinavir:Ritonavir 1:50 complex structure
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

Chemicals

ChemComp-ROC:
(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 / medication, antiretroviral*YM

ChemComp-CL:
Unknown entry

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

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-RIT:
RITONAVIR / medication, antiretroviral*YM

ChemComp-SO4:
SULFATE ION

Source
  • human immunodeficiency virus type 1 bh10
  • human immunodeficiency virus 1
Keywordshydrolase/hydrolase inhibitor / HYDROLASE / AIDS / ASPARTYL PROTEASE / CARBAMYLATION / hydrolase-hydrolase inhibitor complex / HIV-1 PROTEASE / SAQUINAVIR

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