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Structure paper

TitleStructure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 7315-7332, Year 2017
Publish dateDec 9, 2016 (structure data deposition date)
AuthorsZhao, X.Z. / Smith, S.J. / Maskell, D.P. / Metifiot, M. / Pye, V.E. / Fesen, K. / Marchand, C. / Pommier, Y. / Cherepanov, P. / Hughes, S.H. / Burke, T.R.
External linksJ. Med. Chem. / PubMed:28737946
MethodsX-ray diffraction
Resolution2.55 - 2.77 Å
Structure data

PDB-5mma:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ379 (compound 5'g)
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-5mmb:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ434 (compound 6p)
Method: X-RAY DIFFRACTION / Resolution: 2.77 Å

PDB-5no1:
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ407 (compound 5g)
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-VHT:
methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HEZ:
HEXANE-1,6-DIOL

ChemComp-HOH:
WATER

ChemComp-OUY:
methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate

ChemComp-XZ4:
methyl 2-[[3-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-7-methoxy-1-oxidanyl-2-oxidanylidene-1,8-naphthyridin-4-yl]amino]ethanoate

Source
  • human spumaretrovirus
  • synthetic construct (others)
KeywordsVIRAL PROTEIN / HIV / PFV / prototype foamy virus / integrase / strand transfer / INSTI / tetramer intasome / integration / inhibitor / drug / tetramer / intasome

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