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Structure paper

TitleDesign, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 13, Page 11607-11621, Year 2015
Publish dateAug 28, 2015 (structure data deposition date)
AuthorsGhosh, A.K. / Martyr, C.D. / Kassekert, L.A. / Nyalapatla, P.R. / Steffey, M. / Agniswamy, J. / Wang, Y.F. / Weber, I.T. / Amano, M. / Mitsuya, H.
External linksOrg. Biomol. Chem. / PubMed:26462551
MethodsX-ray diffraction
Resolution1.22 - 1.62 Å
Structure data

PDB-5dgu:
Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

PDB-5dgw:
Crystal Structure of HIV-1 Protease Inhibitor GRL-105-11A Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

Chemicals

ChemComp-5B7:
(3R,3aR,4S,7aS)-3-methoxyhexahydro-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-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-5B5:
(3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / HIV-1 Protease / Enzyme / Hydrolase inhibitor

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