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Structure paper

TitleStructure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 5334-5343, Year 2015
Publish dateMay 1, 2015 (structure data deposition date)
AuthorsGhosh, A.K. / Yu, X. / Osswald, H.L. / Agniswamy, J. / Wang, Y.F. / Amano, M. / Weber, I.T. / Mitsuya, H.
External linksJ. Med. Chem. / PubMed:26107245
MethodsX-ray diffraction
Resolution1.53 Å
Structure data

PDB-4zls:
HIV-1 wild Type protease with GRL-096-13A (a Boc-derivative P2-Ligand, 3,-5-dimethylbiphenyl P1-Ligand)
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-G61:
tert-butyl [(2S,3R)-1-(3',5'-dimethoxybiphenyl-3-yl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 bh10
KeywordsHYDROLASE/HYDROLASE Inhibitor / multidrug-resistant strains / HYDROLASE Inhibitor complex / HYDROLASE-HYDROLASE Inhibitor complex

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