4HNF

Crystal structure of ck1d in complex with pf4800567

4HNF の概要

• エントリーDOI: 10.2210/pdb4hnf/pdb
• 関連するPDBエントリー: 3UYS 3UYT 3UZP 4HNI 4HOK
• 分子名称: Casein kinase I isoform delta, 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (3 entities in total)
• 機能のキーワード: ck1d, kinase, inhibitor, pf4800567, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P48730
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 69420.94

構造登録者

Huang, X.,Long, A.M.,Zhao, H. (登録日: 2012-10-19, 公開日: 2012-11-14, 最終更新日: 2024-02-28)

主引用文献

Long, A.M.,Zhao, H.,Huang, X.
Structural basis for the potent and selective inhibition of casein kinase 1 epsilon.
J.Med.Chem., 55:10307-10311, 2012

PubMed Abstract: Casein kinase 1 epsilon (CK1ε) and its closest homologue CK1δ are key regulators of diverse cellular processes. We report two crystal structures of PF4800567, a potent and selective inhibitor of CK1ε, bound to the kinase domains of human CK1ε and CK1δ as well as one apo CK1ε crystal structure. These structures provide a molecular basis for the strong and specific inhibitor interactions with CK1ε and suggest clues for further development of CK1δ inhibitors.

PubMed: 23106386
DOI: 10.1021/jm301336n

実験手法

X-RAY DIFFRACTION (2.07 Å)