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Structure paper

TitleTriazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-structure-activity relationships and crystallographic analysis.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 1131-1134, Year 2008
Publish dateOct 16, 2007 (structure data deposition date)
AuthorsKirschberg, T.A. / Balakrishnan, M. / Huang, W. / Hluhanich, R. / Kutty, N. / Liclican, A.C. / McColl, D.J. / Squires, N.H. / Lansdon, E.B.
External linksBioorg. Med. Chem. Lett. / PubMed:18083512
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-2rki:
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-TT1:
4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsTRANSFERASE / HIV-1 / Reverse Transcriptase / RT / non-nucleoside reverse transcriptase inhibitor / NNRTI / RNase H / polymerase / virus / AIDS / Aspartyl protease / Capsid maturation / Core protein / DNA integration / DNA recombination / DNA-directed DNA polymerase / Endonuclease / Host-virus interaction / Hydrolase / Lipoprotein / Magnesium / Membrane / Metal-binding / Multifunctional enzyme / Myristate / Nuclease / Nucleotidyltransferase / Nucleus / Phosphorylation / Protease / RNA-binding / RNA-directed DNA polymerase / Viral nucleoprotein / Virion / Zinc-finger

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