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Structure paper

TitleMolecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor.
Journal, issue, pagesMol Oncol, Vol. 12, Page 287-304, Year 2018
Publish dateNov 25, 2016 (structure data deposition date)
AuthorsWhittaker, S.R. / Barlow, C. / Martin, M.P. / Mancusi, C. / Wagner, S. / Self, A. / Barrie, E. / Te Poele, R. / Sharp, S. / Brown, N. ...Whittaker, S.R. / Barlow, C. / Martin, M.P. / Mancusi, C. / Wagner, S. / Self, A. / Barrie, E. / Te Poele, R. / Sharp, S. / Brown, N. / Wilson, S. / Jackson, W. / Fischer, P.M. / Clarke, P.A. / Walton, M.I. / McDonald, E. / Blagg, J. / Noble, M. / Garrett, M.D. / Workman, P.
External linksMol Oncol / PubMed:29063678
MethodsX-ray diffraction
Resolution1.3 Å
Structure data

PDB-5mhq:
CCT068127 in complex with CDK2
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-8QT:
(2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCELL CYCLE/INHIBITOR / CELL CYCLE / INHIBITOR / CDK2 / CDK9 / CELL CYCLE-INHIBITOR complex

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