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TitleNovel HIV-1 protease inhibitors, GRL-142 and its analogs, markedly adapt to the structural plasticity of HIV-1 protease and exerts extreme potency with high genetic barrier
Journal, issue, pagesTo Be Published
Publish dateApr 3, 2019 (structure data deposition date)
AuthorsBulut, H. / Hattori, S.I. / Aoki-Ogata, H. / Hayashi, H. / Aoki, M. / Ghosh, A.K. / Mitsuya, H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.28 - 1.57 Å
Structure data

PDB-6ogr:
X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-142
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

PDB-6ogv:
X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in apo state
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

Chemicals

ChemComp-7OA:
(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsVIRAL PROTEIN/INHIBITOR / Inhibitor / VIRAL PROTEIN / VIRAL PROTEIN-INHIBITOR complex

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