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. Author manuscript; available in PMC: 2023 Apr 24.
Published in final edited form as: J Am Chem Soc. 2022 Dec 9;144(50):22890–22901. doi: 10.1021/jacs.2c04039

Figure 4.

Figure 4.

Molecular dynamics of 1oxF11 bound to CDK4. (a) full structure of CDK4 with 1oxF11 noncovalently bound. (b) Expansion of M169 binding pocket. (c) Ligand-residue interaction diagram over time. (d) Schematic of 1oxF11 binding.