4g31 | pdb_00004g31

Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution

spinqualitylabelsall models 4g31, resolution 2.28Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4g31 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: 0WH, GOL Related: 3qd2, 4g34 Gene: EIF2AK3, PEK, PERK (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 PKR-like Endoplasmic Reticulum Kinase (PERK) is activated in response to a variety of endoplasmic reticulum stresses implicated in numerous disease states. Evidence that PERK is implicated in tumorigenesis and cancer cell survival stimulated our search for small molecule inhibitors. Through screening and lead optimization using the human PERK crystal structure, we discovered compound 38 (GSK2606414), an orally available, potent and selective PERK inhibitor. Compound 38 inhibits PERK activation in cells and inhibits the growth of a human tumor xenograft in mice. Discovery of 7-methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-p yrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of PKR-like Endoplasmic Reticulum Kinase (PERK).,Axten JM, Medina JR, Feng Y, Shu A, Romeril S, Grant S, Li WH, Heerding DA, Minthorn E, Mencken T, Atkins C, Liu Q, Rabindran S, Kumat R, Hong X, Goetz A, Stanley TB, Taylor D, Sigethy S, Tomberlin GH, Hassell A, Shewchuk LM, Gampe R J Med Chem. 2012 Jul 24. PMID:22827572 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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