2R0U

Crystal Structure of Chek1 in Complex with Inhibitor 54

Summary for 2R0U

Entry DOI	10.2210/pdb2r0u/pdb
Descriptor	Serine/threonine-protein kinase Chk1, 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one (3 entities in total)
Functional Keywords	chek1, kinase, cell cycle check point, atp-binding, cytoplasm, dna damage, dna repair, nucleotide-binding, nucleus, phosphorylation, polymorphism, serine/threonine-protein kinase, transferase, ubl conjugation
Biological source	Homo sapiens (human)
Cellular location	Nucleus: O14757
Total number of polymer chains	1
Total formula weight	37332.62
Authors	Yan, Y.,Ikuta, M. (deposition date: 2007-08-21, release date: 2007-10-30, Last modification date: 2023-08-30)
Primary citation	Garbaccio, R.M.,Huang, S.,Tasber, E.S.,Fraley, M.E.,Yan, Y.,Munshi, S.,Ikuta, M.,Kuo, L.,Kreatsoulas, C.,Stirdivant, S.,Drakas, B.,Rickert, K.,Walsh, E.S.,Hamilton, K.A.,Buser, C.A.,Hardwick, J.,Mao, X.,Beck, S.C.,Abrams, M.T.,Tao, W.,Lobell, R.,Sepp-Lorenzino, L.,Hartman, G.D. Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase. Bioorg.Med.Chem.Lett., 17:6280-6285, 2007 Cited by PubMed: 17900896 DOI: 10.1016/j.bmcl.2007.09.007 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation