2HXL

crystal structure of Chek1 in complex with inhibitor 1

Summary for 2HXL

Entry DOI	10.2210/pdb2hxl/pdb
Descriptor	Serine/threonine-protein kinase Chk1, 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE (3 entities in total)
Functional Keywords	chek1, kinase, cell cycle checkpoint, transferase
Biological source	Homo sapiens (human)
Cellular location	Nucleus: O14757
Total number of polymer chains	1
Total formula weight	37175.43
Authors	Yan, Y. (deposition date: 2006-08-03, release date: 2007-06-19, Last modification date: 2023-08-30)
Primary citation	Huang, S.,Garbaccio, R.M.,Fraley, M.E.,Steen, J.,Kreatsoulas, C.,Hartman, G.,Stirdivant, S.,Drakas, B.,Rickert, K.,Walsh, E.,Hamilton, K.,Buser, C.A.,Hardwick, J.,Mao, X.,Abrams, M.,Beck, S.,Tao, W.,Lobell, R.,Sepp-Lorenzino, L.,Yan, Y.,Ikuta, M.,Murphy, J.Z.,Sardana, V.,Munshi, S.,Kuo, L.,Reilly, M.,Mahan, E. Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors. Bioorg.Med.Chem.Lett., 16:5907-5912, 2006 Cited by PubMed: 16990002 DOI: 10.1016/j.bmcl.2006.08.053 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation