3BE9

Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities

Summary for 3BE9

Entry DOI	10.2210/pdb3be9/pdb
Related	2PVH 2PVJ 2PVK 2PVL 2PVM 2PVN
Descriptor	Casein kinase II subunit alpha, 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one (3 entities in total)
Functional Keywords	structure-based drug design, enzyme-inhibitor complex, casein kinase ii, protein kinase ck2, atp-binding, nucleotide-binding, serine/threonine-protein kinase, transferase
Biological source	Zea mays (Maize)
Total number of polymer chains	1
Total formula weight	41813.88
Authors	Nie, Z.,Perretta, C.,Erickson, P.,Margosiak, S.,Lu, J.,Averill, A.,Almassy, R.,Chu, S. (deposition date: 2007-11-16, release date: 2008-11-18, Last modification date: 2023-11-15)
Primary citation	Nie, Z.,Perretta, C.,Erickson, P.,Margosiak, S.,Lu, J.,Averill, A.,Almassy, R.,Chu, S. Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities. Bioorg.Med.Chem.Lett., 18:619-623, 2008 Cited by PubMed: 18055206 DOI: 10.1016/j.bmcl.2007.11.074 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation