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Structure paper

TitleDesign, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents.
Journal, issue, pagesACS Med Chem Lett, Vol. 7, Page 1156-1160, Year 2016
Publish dateSep 22, 2016 (structure data deposition date)
AuthorsLee, W.G. / Chan, A.H. / Spasov, K.A. / Anderson, K.S. / Jorgensen, W.L.
External linksACS Med Chem Lett / PubMed:27994756
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-5ter:
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ651), a Non-nucleoside Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-7AY:
5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile

ChemComp-SO4:
SULFATE ION

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 group m subtype b (isolate bh10)
KeywordsTRANSFERASE / HYDROLASE/INHIBITOR / Polymerase / reverse transcriptase / HIV / non-nucleoside inhibitor / HYDROLASE-DNA-INHIBITOR complex / HYDROLASE-INHIBITOR complex

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