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: 37084253DOI: 10.1021/acschemneuro.3c00135 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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