8JMX

The crystal structure of human aurka kinase domain in complex with AURKA-A2

8JMX の概要

• エントリーDOI: 10.2210/pdb8jmx/pdb
• 分子名称: Aurora kinase A, 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde (2 entities in total)
• 機能のキーワード: kinase mitosis inhibitor, cytokine
• 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: 30890.47

構造登録者

Zhu, C.J.,Zhang, Z.M. (登録日: 2023-06-05, 公開日: 2023-10-18, 最終更新日: 2024-11-13)

主引用文献

Wang, W.,Wang, X.,Tang, G.,Zhu, C.,Xiang, M.,Xiao, Q.,Zhang, Z.M.,Gao, L.,Yao, S.Q.
Multitarget inhibitors/probes that target LRRK2 and AURORA A kinases noncovalently and covalently.
Chem.Commun.(Camb.), 59:10789-10792, 2023

PubMed Abstract: Herein, we report a salicylaldehyde-based, reversible covalent inhibitor (A2) that possesses moderate cellular activity against AURKA with a prolonged residence time and shows significant non-covalent inhibition towards LRRK2. Our results indicated that this multitarget kinase inhibitor may be used as the starting point for future development of more potent, selective and dual-targeting covalent kinase inhibitors against AURKA and LRRK2 for mitophagy.

PubMed: 37594149
DOI: 10.1039/d3cc03530a

実験手法

X-RAY DIFFRACTION (2.95020177482 Å)