2HOG

crystal structure of Chek1 in complex with inhibitor 20

Summary for 2HOG

• Entry DOI: 10.2210/pdb2hog/pdb
• Descriptor: Serine/threonine-protein kinase Chk1, (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL (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: 37218.46

Authors

Yan, Y.,Ikuta, M. (deposition date: 2006-07-14, release date: 2007-04-24, Last modification date: 2023-08-30)

• Primary citation: Fraley, M.E.,Steen, J.T.,Brnardic, E.J.,Arrington, K.L.,Spencer, K.L.,Hanney, B.A.,Kim, Y.,Hartman, G.D.,Stirdivant, S.M.,Drakas, B.A.,Rickert, K.,Walsh, E.S.,Hamilton, K.,Buser, C.A.,Hardwick, J.,Tao, W.,Beck, S.C.,Mao, X.,Lobell, R.B.,Sepp-Lorenzino, L.,Yan, Y.,Ikuta, M.,Munshi, S.K.,Kuo, L.C.,Kreatsoulas, C.; 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.; Bioorg.Med.Chem.Lett., 16:6049-6053, 2006; PubMed: 16978863; DOI: 10.1016/j.bmcl.2006.08.118

Experimental method

X-RAY DIFFRACTION (1.9 Å)