3FDN

Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity

Summary for 3FDN

Entry DOI	10.2210/pdb3fdn/pdb
Descriptor	Serine/threonine-protein kinase 6, N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide (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, cell cycle, kinase, nucleotide-binding, phosphoprotein, polymorphism, serine/threonine-protein kinase, transferase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm, cytoskeleton, centrosome: O14965
Total number of polymer chains	1
Total formula weight	32765.56
Authors	Leou, J.S.,Wu, J.S.,Coumar, M.S.,Shukla, P.,Hsieh, H.P.,Wu, S.Y. (deposition date: 2008-11-26, release date: 2009-09-15, Last modification date: 2023-11-01)
Primary citation	Coumar, M.S.,Leou, J.S.,Shukla, P.,Wu, J.S.,Dixit, A.K.,Lin, W.H.,Chang, C.Y.,Lien, T.W.,Tan, U.K.,Chen, C.H.,Hsu, J.T.A.,Chao, Y.S.,Wu, S.Y.,Hsieh, H.P. Structure-based drug design of novel Aurora kinase A inhibitors: structural basis for potency and specificity J.Med.Chem., 52:1050-1062, 2009 Cited by PubMed: 19140666 DOI: 10.1021/jm801270e PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation