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TitleA Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 58, Page 3679-3688, Year 2014
Publish dateNov 11, 2013 (structure data deposition date)
AuthorsYedidi, R.S. / Garimella, H. / Aoki, M. / Aoki-Ogata, H. / Desai, D.V. / Chang, S.B. / Davis, D.A. / Fyvie, W.S. / Kaufman, J.D. / Smith, D.W. ...Yedidi, R.S. / Garimella, H. / Aoki, M. / Aoki-Ogata, H. / Desai, D.V. / Chang, S.B. / Davis, D.A. / Fyvie, W.S. / Kaufman, J.D. / Smith, D.W. / Das, D. / Wingfield, P.T. / Maeda, K. / Ghosh, A.K. / Mitsuya, H.
External linksAntimicrob. Agents Chemother. / PubMed:24752271
MethodsX-ray diffraction
Resolution1.8 - 1.95 Å
Structure data

PDB-4njs:
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4njt:
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with darunavir
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4nju:
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with tipranavir
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4njv:
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with ritonavir
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-G08:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

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-TPV:
N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE / protease inhibitor*YM

ChemComp-RIT:
RITONAVIR / medication, antiretroviral*YM

Source
  • human immunodeficiency virus 1
KeywordsHydrolase/Hydrolase inhibitor / multidrug-resistance / HIV-1 protease / non-peptidic inhibitor / protease inhibitor / darunavir analog / Hydrolase-Hydrolase inhibitor complex / darunavir / tipranavir / TPV / ritonavir / RIT / kaletra

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