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TitleDiscovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.
Journal, issue, pagesAcs Chem Neurosci, Vol. 14, Page 1672-1685, Year 2023
Publish dateFeb 9, 2023 (structure data deposition date)
AuthorsOng, H.W. / Liang, Y. / Richardson, W. / Lowry, E.R. / Wells, C.I. / Chen, X. / Silvestre, M. / Dempster, K. / Silvaroli, J.A. / Smith, J.L. ...Ong, H.W. / Liang, Y. / Richardson, W. / Lowry, E.R. / Wells, C.I. / Chen, X. / Silvestre, M. / Dempster, K. / Silvaroli, J.A. / Smith, J.L. / Wichterle, H. / Pabla, N.S. / Ultanir, S.K. / Bullock, A.N. / Drewry, D.H. / Axtman, A.D.
External linksAcs Chem Neurosci / PubMed:37084253
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-8cie:
Crystal structure of the human CDKL5 kinase domain with compound YL-354
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-US0:
4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / KINASE

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