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TitleStructure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 4903-4909, Year 2015
Publish dateApr 28, 2015 (structure data deposition date)
AuthorsGhosh, A.K. / Takayama, J. / Kassekert, L.A. / Ella-Menye, J.R. / Yashchuk, S. / Agniswamy, J. / Wang, Y.F. / Aoki, M. / Amano, M. / Weber, I.T. / Mitsuya, H.
External linksBioorg. Med. Chem. Lett. / PubMed:26096678
MethodsX-ray diffraction
Resolution1.11 Å
Structure data

PDB-4zip:
HIV-1 wild Type protease with GRL-0648A (a isophthalamide-derived P2-Ligand)
Method: X-RAY DIFFRACTION / Resolution: 1.11 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-G64:
N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1
KeywordsHYDROLASE/HYDROLASE Inhibitor / HYDROLASE-HYDROLASE Inhibitor complex

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