8JMX

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

Summary for 8JMX

Entry DOI	10.2210/pdb8jmx/pdb
Descriptor	Aurora kinase A, 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde (2 entities in total)
Functional Keywords	kinase mitosis inhibitor, cytokine
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	30890.47
Authors	Zhu, C.J.,Zhang, Z.M. (deposition date: 2023-06-05, release date: 2023-10-18, Last modification date: 2024-11-13)
Primary citation	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 Cited by 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 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.95020177482 Å)

Structure validation