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. Author manuscript; available in PMC: 2012 Aug 27.
Published in final edited form as: ChemMedChem. 2011 Jul 5;6(9):1593–1602. doi: 10.1002/cmdc.201100188

Figure 2.

Figure 2

X-ray co-crystal structure of benzofuran-3-yl-(indol-3-yl)maleimide bound to the GSK-3β (PDB ID: 3SD0; http://www.pdb.org). a) Electron density surrounding inhibitor 2 bound to the active site of GSK-3β. The FoFc Fomit map is contoured at + 3s. b) Hydrogen bonds formed between GSK-3β and 2 are shown as dashed ellipsoids. The bromine atom of 2 is colored green. c) Solvent-exposed surface map of GSK-3β (grey) showing binding pocket for 2 and solvent exposure of the hydroxypropyl group.