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Structure paper

TitleDevelopment of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
Journal, issue, pagesACS Chem. Biol., Vol. 13, Page 3131-3141, Year 2018
Publish dateNov 3, 2017 (structure data deposition date)
AuthorsMcCoull, W. / Cheung, T. / Anderson, E. / Barton, P. / Burgess, J. / Byth, K. / Cao, Q. / Castaldi, M.P. / Chen, H. / Chiarparin, E. ...McCoull, W. / Cheung, T. / Anderson, E. / Barton, P. / Burgess, J. / Byth, K. / Cao, Q. / Castaldi, M.P. / Chen, H. / Chiarparin, E. / Carbajo, R.J. / Code, E. / Cowan, S. / Davey, P.R. / Ferguson, A.D. / Fillery, S. / Fuller, N.O. / Gao, N. / Hargreaves, D. / Howard, M.R. / Hu, J. / Kawatkar, A. / Kemmitt, P.D. / Leo, E. / Molina, D.M. / O'Connell, N. / Petteruti, P. / Rasmusson, T. / Raubo, P. / Rawlins, P.B. / Ricchiuto, P. / Robb, G.R. / Schenone, M. / Waring, M.J. / Zinda, M. / Fawell, S. / Wilson, D.M.
External linksACS Chem. Biol. / PubMed:30335946
MethodsX-ray diffraction
Resolution1.39 - 1.84 Å
Structure data

PDB-6ew6:
Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-6ew7:
Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6ew8:
Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-C0H:
~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

ChemComp-C1W:
2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid

ChemComp-C0Q:
anilinopyrimidine ligand

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / KINASE

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