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NRS 13, e004 | Figure 2

Puhl A, Milton F, Cvoro A, Sieglaff D, Campos J, Bernardes A, Filguiera C, Lindemann JL, Deng T, Neves F, Polikarpov I and Webb P (2015) Mechanisms of peroxisome proliferator activated receptor γ regulation by non-steroidal antiinflammatory drugs. Nucl Recept Sig 13, e004. doi:10.1621/nrs.13004


Figure 2. Structures of PPARγ in complex with NSAIDs. (A) PPARγ/diclofenac structure. Left panel shows overall helical organization of PPARγ Chain B (pale blue) with major structural features labeled, H12 (dark blue) in the inactive position and diclofenac in pink. The right panel represents a close up view of diclofenac (pink stick ball) with LBP amino acids. Interactions are mainly hydrophobic, and the amino acids shown as dots represent Van der Waals radii. (B) PPARγ/Indomethacin structure. The right panel shows ligand-receptor interactions in Chain A, and the left panel shows the same in Chain B. Two molecules of indomethacin (blue stick ball) are present in Chain A and on one in Chain B. (C) PPARγ/sulindac sulfide interactions represented as in Figure 2B. Two molecules of sulindac sulfide are present in Chain A (green stick ball) and B (blue stick ball). A σ-weighted 2 Fo - Fc omit electron-density map is shown contoured at 1.0 σ for the area surrounding all ligands. Hydrogen bond distances are marked in all figures by dotted lines and red figures denoting angstroms (Å).