6SGH

Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 66

Summary for 6SGH

Entry DOI	10.2210/pdb6sgh/pdb
Descriptor	Serine/threonine-protein kinase Nek2, 2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide (3 entities in total)
Functional Keywords	"covalent inhibitor" kinase, cell cycle
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	32956.79
Authors	Richards, M.W.,Mas-Droux, C.P.,Bayliss, R. (deposition date: 2019-08-04, release date: 2020-06-17, Last modification date: 2024-01-24)
Primary citation	Matheson, C.J.,Coxon, C.R.,Bayliss, R.,Boxall, K.,Carbain, B.,Fry, A.M.,Hardcastle, I.R.,Harnor, S.J.,Mas-Droux, C.,Newell, D.R.,Richards, M.W.,Sivaprakasam, M.,Turner, D.,Griffin, R.J.,Golding, B.T.,Cano, C. 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11:707-731, 2020 Cited by PubMed: 33479670 DOI: 10.1039/d0md00074d PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3 Å)

Structure validation