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. 2022 Mar 10;13:869562. doi: 10.3389/fendo.2022.869562

Figure 6.

Figure 6

ShERPA derivatives in the receptor active site. Close view representations of ERα-E2 (yellow) superimposed with (A) TTC-352 (blue) and (B) BMI-135 (cyan). Snapshots extracted from the MD trajectories are depicted for each receptor-ligand complex. The key interactions in the active site are shown (in dash lines) together with the positioning of helix12 in comparison with the ERα-E2 structure.