3iw4 | pdb_00003iw4

Crystal structure of PKC alpha in complex with NVP-AEB071

spinqualitylabelsall models 3iw4, resolution 2.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3iw4 is a 3 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: LW4 NonStd Res: SEP, TPO Gene: PRKCA, PKCA, PRKACA (Homo sapiens) Activity: Protein kinase C, with EC number 2.7.11.13 Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed A series of novel maleimide-based inhibitors of protein kinase C (PKC) were designed, synthesized, and evaluated. AEB071 (1) was found to be a potent, selective inhibitor of classical and novel PKC isotypes. 1 is a highly efficient immunomodulator, acting via inhibition of early T cell activation. The binding mode of maleimides to PKCs, proposed by molecular modeling, was confirmed by X-ray analysis of 1 bound in the active site of PKCalpha. Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5 -dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes.,Wagner J, von Matt P, Sedrani R, Albert R, Cooke N, Ehrhardt C, Geiser M, Rummel G, Stark W, Strauss A, Cowan-Jacob SW, Beerli C, Weckbecker G, Evenou JP, Zenke G, Cottens S J Med Chem. 2009 Oct 22;52(20):6193-6. PMID:19827831 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Protein kinase C

Proteopedia Page Contributors and Editors (what is this?)

OCA