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Structure paper

TitleMolecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 29, Page 2182-2188, Year 2019
Publish dateJun 18, 2018 (structure data deposition date)
AuthorsSasaki, T. / Gannam, Z.T.K. / Kudalkar, S.N. / Frey, K.M. / Lee, W.G. / Spasov, K.A. / Jorgensen, W.L. / Anderson, K.S.
External linksBioorg. Med. Chem. Lett. / PubMed:31281023
MethodsX-ray diffraction
Resolution2.742 - 3.327 Å
Structure data

PDB-6dtw:
HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578
Method: X-RAY DIFFRACTION / Resolution: 2.742 Å

PDB-6dtx:
Wildtype HIV-1 Reverse Transcriptase in complex with JLJ 578
Method: X-RAY DIFFRACTION / Resolution: 3.327 Å

Chemicals

ChemComp-H9Y:
8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

Source
  • human immunodeficiency virus type 1 group m subtype b
KeywordsHYDROLASE / TRANSFERASE/INHIBITOR / HIV-1 / reverse transcriptase / inhibitor / TRANSFERASE-INHIBITOR complex

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