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Structure paper

TitleA mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Journal, issue, pagesBiochim. Biophys. Acta, Vol. 1840, Page 2203-2211, Year 2014
Publish dateDec 18, 2013 (structure data deposition date)
AuthorsMislak, A.C. / Frey, K.M. / Bollini, M. / Jorgensen, W.L. / Anderson, K.S.
External linksBiochim. Biophys. Acta / PubMed:24726448
MethodsX-ray diffraction
Resolution2.712 - 2.889 Å
Structure data

PDB-4o44:
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.889 Å

PDB-4o4g:
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ527), a non-nucleoside inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.712 Å

Chemicals

ChemComp-2RS:
4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile

ChemComp-HOH:
WATER

ChemComp-2RT:
4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile

Source
  • human immunodeficiency virus type 1 bh10
  • human immunodeficiency virus type 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Polymerase / RNase / reverse transcription / HYDROLASE-HYDROLASE INHIBITOR complex

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