4br3 | pdb_00004br3

Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies

spinqualitylabelsall models 4br3, resolution 2.20Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4br3 is a 2 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: A4V, PO4, U85 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Dual binding modes: Combined empirical and computational studies of a series of compounds showed adenine and 1-benzyl-4-(dimethylamino)pyridinium fragments to function most efficiently in binding CHOKalpha1, and also determined how the latter fragment interacts with the choline binding site through two different binding modes. These data provide a basis for the future design of better and more selective inhibitors. Determination of Potential Scaffolds for Human Choline Kinase alpha1 by Chemical Deconvolution Studies.,Sahun-Roncero M, Rubio-Ruiz B, Conejo-Garcia A, Velazquez-Campoy A, Entrena A, Hurtado-Guerrero R Chembiochem. 2013 Jun 28. doi: 10.1002/cbic.201300195. PMID:23813777 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Choline kinase

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