8CIE

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

8CIE の概要

• エントリーDOI: 10.2210/pdb8cie/pdb
• 分子名称: 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)
• 機能のキーワード: kinase, transferase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35677.11

構造登録者

Richardson, W.,Chen, X.,Newman, J.A.,Bakshi, S.,Lakshminarayana, B.,Brooke, L.,Bullock, A.N. (登録日: 2023-02-09, 公開日: 2023-06-14, 最終更新日: 2024-03-27)

• 主引用文献: 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; PubMed: 37084253; DOI: 10.1021/acschemneuro.3c00135

実験手法

X-RAY DIFFRACTION (2.2 Å)