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TitleStructure-Based Design of Selective Noncovalent CDK12 Inhibitors.
Journal, issue, pagesChemMedChem, Vol. 13, Page 231-235, Year 2018
Publish dateSep 21, 2017 (structure data deposition date)
AuthorsJohannes, J.W. / Denz, C.R. / Su, N. / Wu, A. / Impastato, A.C. / Mlynarski, S. / Varnes, J.G. / Prince, D.B. / Cidado, J. / Gao, N. ...Johannes, J.W. / Denz, C.R. / Su, N. / Wu, A. / Impastato, A.C. / Mlynarski, S. / Varnes, J.G. / Prince, D.B. / Cidado, J. / Gao, N. / Haddrick, M. / Jones, N.H. / Li, S. / Li, X. / Liu, Y. / Nguyen, T.B. / O'Connell, N. / Rivers, E. / Robbins, D.W. / Tomlinson, R. / Yao, T. / Zhu, X. / Ferguson, A.D. / Lamb, M.L. / Manchester, J.I. / Guichard, S.
External linksChemMedChem / PubMed:29266803
MethodsX-ray diffraction
Resolution3.06 Å
Structure data

PDB-6b3e:
Crystal structure of human CDK12/CyclinK in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.06 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-CJM:
2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / Inhibitor / complex / kinase / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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