3t9i | pdb_00003t9i

Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution

spinqualitylabelsall models 3t9i, resolution 2.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3t9i 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: 3T9 NonStd Res: SEP Gene: PIM1 (Homo sapiens) Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed A series of novel 3,5-disubstituted indole derivatives as potent and selective inhibitors of all three members of the Pim kinase family is described. High throughput screen identified a pan-Pim kinase inhibitor with a promiscuous scaffold. Guided by structure-based drug design, SAR of the series afforded a highly selective indole chemotype that was further developed into a potent set of compounds against Pim-1, 2, and 3 (Pim-1 and Pim-3: IC(50)</=2nM and Pim-2: IC(50)</=100nM). Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases.,Nishiguchi GA, Atallah G, Bellamacina C, Burger MT, Ding Y, Feucht PH, Garcia PD, Han W, Klivansky L, Lindvall M Bioorg Med Chem Lett. 2011 Nov 1;21(21):6366-9. Epub 2011 Sep 10. PMID:21945284 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Proto-oncogene serine/threonine-protein kinase

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