Fig. 1
Discovery of phosphate-mimetic fragment 3. a Fluorescently labeled phosphotyrosine peptide 1 was used in an FP assay for the screening of a fragment library furnishing 4-amino-furazan-3-carboxylic acid 3 as a phosphate-mimetic21. Phosphotyrosine-mimetic fragment 4-formyl-phenyl phosphate 2 was employed to investigate fragment hits for second site binding. b–c Molecular docking results of fragments 2 and 3 into homology model of human STAT5b-SH2 domain, generated from the published structure of STAT5a (PDB accession codes, 1Y1U [http://dx.doi.org/10.2210/pdb1Y1U/pdb])30. Hydrogen bonds with key residues in the hydrophilic binding pocket of the STAT5-SH2 domain were illustrated as red dashed lines
