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Structure paper

TitleHighly Potent HIV-1 Protease Inhibitors with Novel Tricyclic P2 Ligands: Design, Synthesis, and Protein-Ligand X-ray Studies.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 6792-6802, Year 2013
Publish dateApr 23, 2013 (structure data deposition date)
AuthorsGhosh, A.K. / Parham, G.L. / Martyr, C.D. / Nyalapatla, P.R. / Osswald, H.L. / Agniswamy, J. / Wang, Y.F. / Amano, M. / Weber, I.T. / Mitsuya, H.
External linksJ. Med. Chem. / PubMed:23947685
MethodsX-ray diffraction
Resolution1.29 Å
Structure data

PDB-4kb9:
Crystal structure of wild-type HIV-1 protease with novel tricyclic P2-ligands GRL-0739A
Method: X-RAY DIFFRACTION / Resolution: 1.29 Å

Chemicals

ChemComp-G79:
(3aR,3bR,4S,7aR,8aS)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate

ChemComp-CL:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-NA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHydrolase/Hydrolase Inhibitor / spartic acid protease / HIV-1 protease inhibitor GRL-0739A / a Novel Tricyclic P2-ligand / Hydrolase-Hydrolase Inhibitor complex

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