8JF4

The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9

Summary for 8JF4

Entry DOI	10.2210/pdb8jf4/pdb
Descriptor	Aurora kinase A, 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide (2 entities in total)
Functional Keywords	lysine inhibitor, cytokine
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	31115.71
Authors	Zhu, C.J. (deposition date: 2023-05-17, release date: 2024-02-14, Last modification date: 2024-03-27)
Primary citation	Tang, G.,Wang, W.,Zhu, C.,Huang, H.,Chen, P.,Wang, X.,Xu, M.,Sun, J.,Zhang, C.J.,Xiao, Q.,Gao, L.,Zhang, Z.M.,Yao, S.Q. Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63:e202316394-e202316394, 2024 Cited by PubMed: 38248139 DOI: 10.1002/anie.202316394 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.89288354365 Å)

Structure validation