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. 2021 Jun 2;64(12):8423–8436. doi: 10.1021/acs.jmedchem.1c00401

Figure 4.

Figure 4

Acetamide-benzaldehydes in complex with 14-3-3/p65_45. (A) 3D (beige sticks) and 2D structure of 4-formyl-benzamide. The C–C–C–N torsion angles (orange lines) cluster at τ ≈ 0 and 180°.40 (B) Initial fragment hit 4 can be extended from its para-position (black arrows; PDB: 6YOX).25 (C) Ternary structure of 19e (green sticks) in complex with p65_45 (red sticks) and 14-3-3σΔC (white cartoon and sticks) (PDB: 7BIY). Hydrogen bonds are indicated with green dashes; the 2Fo-Fc electron density map is shown as gray mesh, contoured at 1σ.