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. 2021 Jul 21;12(8):1302–1307. doi: 10.1021/acsmedchemlett.1c00285

Figure 1.

Figure 1

Mass-spectrometry-based analyses demonstrated that TMX-3063 reacted with CDK2 protein at Lys89. (A) Schematic illustration of covalent modification of CDK2 by TMX-3063. (B) CDK2 inhibitory activities of TMX-3063 and TMX-3066. (C) Mass spectra (left) and zero-charge mass spectra (right) of CDK2 protein treated with DMSO (top) or a 2-fold molar excess of TMX-3063 (bottom) for 1 h at room temperature. The observed mass shift of 42 Da is consistent with covalent addition of a single molecule of TMX-3063 (with loss of the TMX-3066 fragment). (D) CE–MS/MS spectrum of chymotryptic CDK2 peptide (residues 89 to 104) with Lys89 modified by TMX-3063. Ions of type b and y are indicated with blue and red glyphs, respectively. K* denotes TMX-3063-modified lysine.