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Structure paper

TitleStructural and Preclinical Studies of Computationally Designed Non-Nucleoside Reverse Transcriptase Inhibitors for Treating HIV infection.
Journal, issue, pagesMol. Pharmacol., Vol. 91, Page 383-391, Year 2017
Publish dateNov 11, 2016 (structure data deposition date)
AuthorsKudalkar, S.N. / Beloor, J. / Chan, A.H. / Lee, W.G. / Jorgensen, W.L. / Kumar, P. / Anderson, K.S.
External linksMol. Pharmacol. / PubMed:28167742
MethodsX-ray diffraction
Resolution2.853 Å
Structure data

PDB-5tw3:
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a Non-nucleoside Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.853 Å

Chemicals

ChemComp-7N1:
5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile

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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