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. 2016 Jun 6;55(29):8353–8357. doi: 10.1002/anie.201602908

Figure 1.

Figure 1

A) Structures of 4‐phenyl‐3,5‐dimethylisoxazole (1), which has a high binding efficiency index (BEI) and surface efficiency index (SEI) for the BRD4 bromodomains, and OXFBD02 (2). B) An overlay of the X‐ray crystal structure of the BET bromodomain ligand 2 bound to BRD4(1) (PDB code: 4J0S, carbon: yellow) with the X‐ray crystal structure of the histone H4‐mimicking peptide H41–12KAc5KAc8 (PDB code: 3UVW, carbon: purple) bound to BRD4(1). Some residues are omitted for clarity. C) The structures of KAc and the isoxazole‐containing amino‐acids 3–5 incorporated into peptides in this study.