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Structure paper

TitleDiscovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 4824-4827, Year 2015
Publish dateJun 15, 2015 (structure data deposition date)
AuthorsLee, W.G. / Frey, K.M. / Gallardo-Macias, R. / Spasov, K.A. / Chan, A.H. / Anderson, K.S. / Jorgensen, W.L.
External linksBioorg. Med. Chem. Lett. / PubMed:26166629
MethodsX-ray diffraction
Resolution2.6 - 2.841 Å
Structure data

PDB-5c24:
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-6,8-dimethylindolizine-2-carbonitrile (JLJ605), a non-nucleoside inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-5c25:
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2-naphthonitrile (JLJ639), a Non-nucleoside Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.841 Å

Chemicals

ChemComp-4XO:
6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-639:
6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile

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

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