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Structure paper

TitleStructural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
Journal, issue, pagesPLoS Biol., Vol. 14, Page e1002584-e1002584, Year 2016
Publish dateJan 23, 2016 (structure data deposition date)
AuthorsGupta, K. / Turkki, V. / Sherrill-Mix, S. / Hwang, Y. / Eilers, G. / Taylor, L. / McDanal, C. / Wang, P. / Temelkoff, D. / Nolte, R.T. ...Gupta, K. / Turkki, V. / Sherrill-Mix, S. / Hwang, Y. / Eilers, G. / Taylor, L. / McDanal, C. / Wang, P. / Temelkoff, D. / Nolte, R.T. / Velthuisen, E. / Jeffrey, J. / Van Duyne, G.D. / Bushman, F.D.
External linksPLoS Biol. / PubMed:27935939
MethodsX-ray diffraction
Resolution1.75 - 1.88 Å
Structure data

PDB-5hrn:
HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5hrp:
HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-5hrr:
HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-5hrs:
HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

Chemicals

ChemComp-CAC:
CACODYLATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-65P:
(2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsTRANSFERASE/INHIBITOR / Viral DNA integration / DNA Binding / LEDGF Binding / VIRAL PROTEIN / TRANSFERASE-INHIBITOR complex

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