3K5U

Identification, SAR Studies and X-ray Cocrystal Analysis of a Novel Furano-pyrimidine Aurora Kinase A Inhibitor

Summary for 3K5U

Entry DOI	10.2210/pdb3k5u/pdb
Descriptor	Serine/threonine-protein kinase 6, 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL (3 entities in total)
Functional Keywords	aurora kinase inhibitors, virtual screening, x-ray co-crystal analysis, structure-based drug design (sbdd), h-bonding, atp-binding site, cell cycle, cytoskeleton, kinase, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm, cytoskeleton, microtubule organizing center, centrosome : O14965
Total number of polymer chains	1
Total formula weight	32690.49
Authors	Wu, J.S.,Leou, J.S.,Coumar, M.S.,Hsieh, H.P.,Wu, S.Y. (deposition date: 2009-10-08, release date: 2010-10-13, Last modification date: 2023-11-01)
Primary citation	Coumar, M.S.,Tsai, M.T.,Chu, C.Y.,Uang, B.J.,Lin, W.H.,Chang, C.Y.,Chang, T.Y.,Leou, J.S.,Teng, C.H.,Wu, J.S.,Fang, M.Y.,Chen, C.H.,Hsu, J.T.,Wu, S.Y.,Chao, Y.S.,Hsieh, H.P. Identification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor Chemmedchem, 5:255-267, 2010 Cited by PubMed: 20039358 DOI: 10.1002/cmdc.200900339 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.35 Å)

Structure validation