4a4x

NEK2-EDE bound to CCT248662NEK2-EDE bound to CCT248662

Structural highlights 4a4x is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: Related: 2xkc, 2w5b, 2xnp, 2wqo, 2jav, 2xke, 2xkd, 2w5h, 2xk7, 2xkf, 2xk8, 2xno, 2xk6, 2xnn, 2xk4, 2xk3, 2xnm, 2w5a, 4afe Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed We report herein a series of Nek2 inhibitors based on an aminopyridine scaffold. These compounds have been designed by combining key elements of two previously discovered chemical series. Structure based design led to aminopyridine (R)-21, a potent and selective inhibitor able to modulate Nek2 activity in cells. Design of potent and selective hybrid inhibitors of the mitotic kinase nek2: structure-activity relationship, structural biology, and cellular activity.,Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S J Med Chem. 2012 Apr 12;55(7):3228-41. Epub 2012 Mar 23. PMID:22404346 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Serine/threonine protein kinase

spinqualitylabelsall models 4a4x, resolution 2.40Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image