8CIE

Crystal structure of the human CDKL5 kinase domain with compound YL-354

Summary for 8CIE

Entry DOI	10.2210/pdb8cie/pdb
Descriptor	Cyclin-dependent kinase-like 5, 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, SULFATE ION, ... (4 entities in total)
Functional Keywords	kinase, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	35677.11
Authors	Richardson, W.,Chen, X.,Newman, J.A.,Bakshi, S.,Lakshminarayana, B.,Brooke, L.,Bullock, A.N. (deposition date: 2023-02-09, release date: 2023-06-14, Last modification date: 2024-03-27)
Primary citation	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. Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective. Acs Chem Neurosci, 14:1672-1685, 2023 Cited by PubMed: 37084253 DOI: 10.1021/acschemneuro.3c00135 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation