8t5m

SOS2 crystal structure with fragment bound (compound 14)

spinqualitylabelsall models 8t5m, resolution 1.79Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 8t5m 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. Method: X-ray diffraction, Resolution 1.79Å Ligands: EDO, SO4, YIF Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Disease SOS2_HUMAN Noonan syndrome. The disease is caused by mutations affecting the gene represented in this entry. Function SOS2_HUMAN Promotes the exchange of Ras-bound GDP by GTP.[UniProtKB:Q62245] Publication Abstract from PubMed SOS1 and SOS2 are guanine nucleotide exchange factors that mediate RTK-stimulated RAS activation. Selective SOS1:KRAS PPI inhibitors are currently under clinical investigation, whereas there are no reports to date of SOS2:KRAS PPI inhibitors. SOS2 activity is implicated in MAPK rebound when divergent SOS1 mutant cell lines are treated with the SOS1 inhibitor BI-3406; therefore, SOS2:KRAS inhibitors are of therapeutic interest. In this report, we detail a fragment-based screening strategy to identify X-ray cocrystal structures of five diverse fragment hits bound to SOS2. Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.,Smith CR, Chen D, Christensen JG, Coulombe R, Fethiere J, Gunn RJ, Hollander J, Jones B, Ketcham JM, Khare S, Kuehler J, Lawson JD, Marx MA, Olson P, Pearson KE, Ren C, Tsagris D, Ulaganathan T, Van't Veer I, Wang X, Ivetac A J Med Chem. 2023 Dec 29. doi: 10.1021/acs.jmedchem.3c02140. PMID:38156904 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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