4dhu

Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening

spinqualitylabelsall models 4dhu, resolution 1.67Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4dhu 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 1.67Å Ligands: 0KH, CL, CSO, GOL, MG Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed We report first non-covalent and exclusively extracellular inhibitors of 14-3-3 protein-protein interactions identified by virtual screening. Optimization by crystal structure analysis and in vitro binding assays yielded compounds capable of disrupting the interaction of 14-3-3sigma with aminopeptidase N in a cellular assay. Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.,Thiel P, Roglin L, Meissner N, Hennig S, Kohlbacher O, Ottmann C Chem Commun (Camb). 2013 Aug 27;49(76):8468-70. doi: 10.1039/c3cc44612c. PMID:23939230 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also 14-3-3 protein 3D structures

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