2AYP

Crystal Structure of CHK1 with an Indol Inhibitor

Summary for 2AYP

Entry DOI	10.2210/pdb2ayp/pdb
Descriptor	Serine/threonine-protein kinase Chk1, (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE (2 entities in total)
Functional Keywords	protein-inhibitor complex, transferase
Biological source	Homo sapiens (human)
Cellular location	Nucleus: O14757
Total number of polymer chains	1
Total formula weight	31403.11
Authors	Lin, N.-H.,Xia, P.,Kovar, P.,Chen, Z.,Zhang, H.,Rosenberg, S.H.,Sham, H.L. (deposition date: 2005-09-07, release date: 2006-09-12, Last modification date: 2024-02-14)
Primary citation	Lin, N.-H.,Xia, P.,Kovar, P.,Park, C.,Chen, Z.,Zhang, H.,Rosenberg, S.H.,Sham, H.L. Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors Bioorg.Med.Chem.Lett., 16:421-426, 2006 Cited by PubMed Abstract: Chk1 inhibitors have emerged as a novel class of neoplastic agents for abrogating the G2 DNA damage checkpoint arrest. Analogs of the Chk1 inhibitor, 3-ethylidene-1,3-dihydro-indol-2-one, were synthesized and tested in vitro for their inhibitory activities. The most promising compound identified from this series is analog 28, which possesses potent enzymatic and cellular activities. PubMed: 16242328 DOI: 10.1016/j.bmcl.2005.09.064 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation