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TitleStructural and pharmacological evaluation of a novel non-nucleoside reverse transcriptase inhibitor as a promising long acting nanoformulation for treating HIV.
Journal, issue, pagesAntiviral Res., Vol. 167, Page 110-116, Year 2019
Publish dateMar 27, 2019 (structure data deposition date)
AuthorsKudalkar, S.N. / Ullah, I. / Bertoletti, N. / Mandl, H.K. / Cisneros, J.A. / Beloor, J. / Chan, A.H. / Quijano, E. / Saltzman, W.M. / Jorgensen, W.L. ...Kudalkar, S.N. / Ullah, I. / Bertoletti, N. / Mandl, H.K. / Cisneros, J.A. / Beloor, J. / Chan, A.H. / Quijano, E. / Saltzman, W.M. / Jorgensen, W.L. / Kumar, P. / Anderson, K.S.
External linksAntiviral Res. / PubMed:31034849
MethodsX-ray diffraction
Resolution2.9 Å
Structure data

PDB-6oe3:
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-M9A:
5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 group m subtype b
KeywordsTRANSFERASE / NNRTIs / HIV-1 / drug design

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