3F9N

Crystal structure of chk1 kinase in complex with inhibitor 38

Summary for 3F9N

Entry DOI	10.2210/pdb3f9n/pdb
Descriptor	Serine/threonine-protein kinase Chk1, 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION, ... (4 entities in total)
Functional Keywords	chek1, chk1, kinase, cell cycle checkpoint, atp-binding, cytoplasm, dna damage, dna repair, nucleotide-binding, nucleus, phosphoprotein, polymorphism, serine/threonine-protein kinase, transferase, ubl conjugation
Biological source	Homo sapiens
Cellular location	Nucleus: O14757
Total number of polymer chains	1
Total formula weight	37522.21
Authors	Yan, Y.,Munshi, S.,Ikuta, M. (deposition date: 2008-11-14, release date: 2009-01-20, Last modification date: 2023-09-06)
Primary citation	Converso, A.,Hartingh, T.,Garbaccio, R.M.,Tasber, E.,Rickert, K.,Fraley, M.E.,Yan, Y.,Kreatsoulas, C.,Stirdivant, S.,Drakas, B.,Walsh, E.S.,Hamilton, K.,Buser, C.A.,Mao, X.,Abrams, M.T.,Beck, S.C.,Tao, W.,Lobell, R.,Sepp-Lorenzino, L.,Zugay-Murphy, J.,Sardana, V.,Munshi, S.K.,Jezequel-Sur, S.M.,Zuck, P.D.,Hartman, G.D. Development of thioquinazolinones, allosteric Chk1 kinase inhibitors. Bioorg.Med.Chem.Lett., 19:1240-1244, 2009 Cited by PubMed: 19155174 DOI: 10.1016/j.bmcl.2008.12.076 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation