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. Author manuscript; available in PMC: 2022 Sep 2.
Published in final edited form as: Structure. 2021 Mar 12;29(9):940–950.e4. doi: 10.1016/j.str.2021.02.006

Figure 4. Ligand soaking into apo-PPARγ LBD crystals reveals an orthosteric pocket ligand entry pathway.

Figure 4.

(A) Crystal structure of apo-PPARγ LBD reveals a surface pocket with access to the orthosteric ligand-binding pocket. (B,C) Soaking of GW1929 (B) or darglitazone (C) into preformed apo-PPARγ LBD crystals reveals two ligand binding poses, one within the orthosteric pocket in chain A (blue ligand) and a second at the orthosteric pocket ligand entry site (pink ligand). Insets show ligand 2Fo-Fc maps contoured at 1σ, and key structural elements are labeled. See also Figures S3–S4.