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TitleA Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 59, Page 21096-21105, Year 2020
Publish dateSep 2, 2020 (structure data deposition date)
AuthorsGrant, E.K. / Fallon, D.J. / Hann, M.M. / Fantom, K.G.M. / Quinn, C. / Zappacosta, F. / Annan, R.S. / Chung, C.W. / Bamborough, P. / Dixon, D.P. ...Grant, E.K. / Fallon, D.J. / Hann, M.M. / Fantom, K.G.M. / Quinn, C. / Zappacosta, F. / Annan, R.S. / Chung, C.W. / Bamborough, P. / Dixon, D.P. / Stacey, P. / House, D. / Patel, V.K. / Tomkinson, N.C.O. / Bush, J.T.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:32745361
MethodsX-ray diffraction
Resolution1.444 Å
Structure data

PDB-7a9u:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
Method: X-RAY DIFFRACTION / Resolution: 1.444 Å

Chemicals

ChemComp-R5W:
3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / INHIBITOR / HISTONE / EPIGENETIC READER / BROMODOMAIN / BRD4 / BROMODOMAIN CONTAINING PROTEIN 4 / ANTAGONIST

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