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Structure paper

TitleBivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
Journal, issue, pagesTo Be Published
Publish dateJan 17, 2018 (structure data deposition date)
AuthorsMathea, S. / Suh, J.L. / Salah, E. / Tallant, C. / Siejka, P. / Pike, A.C.W. / von Delft, F. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. ...Mathea, S. / Suh, J.L. / Salah, E. / Tallant, C. / Siejka, P. / Pike, A.C.W. / von Delft, F. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / James, L.I. / Frye, S.V. / Knapp, S.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.18 Å
Structure data

PDB-6fic:
Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

Chemicals

ChemComp-DKH:
3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsGENE REGULATION / Bromodomain Histone binding Inhibitor

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