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. 2023 Jun 3;14:3213. doi: 10.1038/s41467-023-38732-x

Fig. 3. Allosteric CDK2 inhibitors are incompatible with ATP binding.

Fig. 3

Both compound 5 (a) and dinaciclib (b) show a lower inhibitory potential of CDK2 with increasing concentrations of ATP, as quantified and compared in (c). One replicate was performed for the experiments with compound 5 while two technical replicates were performed for the experiments with dinaciclib and data points plotted in (b) represent the mean values. Source data for (ac) are provided as a Source Data file. The DFG motif around D145 in the CDK2-compound 1 complex (d) adopts a different conformation in the CDK2-ATP complex (e, PDB ID 8FP5). f Superposition of the two complexes reveals that the backbone around the DFG motif (pink for CDK2-ATP, yellow for CDK2-compound 1) shifts by about 2 Å upon interaction with compound 1.