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TitleC-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
Journal, issue, pagesJ. Virol., Vol. 90, Page 2180-2194, Year 2015
Publish dateJul 20, 2015 (structure data deposition date)
AuthorsAoki, M. / Hayashi, H. / Yedidi, R.S. / Martyr, C.D. / Takamatsu, Y. / Aoki-Ogata, H. / Nakamura, T. / Nakata, H. / Das, D. / Yamagata, Y. ...Aoki, M. / Hayashi, H. / Yedidi, R.S. / Martyr, C.D. / Takamatsu, Y. / Aoki-Ogata, H. / Nakamura, T. / Nakata, H. / Das, D. / Yamagata, Y. / Ghosh, A.K. / Mitsuya, H.
External linksJ. Virol. / PubMed:26581995
MethodsX-ray diffraction
Resolution1.8 - 2 Å
Structure data

PDB-5cok:
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-0476
Method: X-RAY DIFFRACTION / Resolution: 1.801 Å

PDB-5con:
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-015
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5coo:
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-085
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5cop:
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-097
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-52U:
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl

ChemComp-HOH:
WATER

ChemComp-52W:
(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate

ChemComp-52Z:
(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl

ChemComp-53F:
(3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate

Source
  • human immunodeficiency virus 1
KeywordsHydrolase/Hydrolase Inhibitor / GRL-0476 / HIV-1 protease / protease-inhibitor / darunavir / Tp-THF / nonpeptidic / Hydrolase-Hydrolase Inhibitor complex / GRL-015 / hydroxyl / O-methoxy. / GRL-085 / GRL-097

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