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Structural insights into human peroxisome proliferator activated receptor delta (PPAR-delta) selective ligand binding.

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Academic year: 2017

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Figure 1. Three-dimensional structure of PPARd-selective agonist GW0742, as found in our hPPARd:GW0742 crystal structure (PDB id 3TKM)
Figure 2. Crystallographic structure of the complex hPPARd-LBD:GW0742. (A) The ligand (magenta sticks) occupies the PPARd-LBD (grey cartoon) and performs interactions with residues belonging to the arm I (yellow), arm II (green) and arm III (orange)
Figure 4. Crystallographic structure superposition of selective ligands to each PPAR isotype
Table 2. RMSD values of the residues dMet312, dIle328 and its corresponding residues from PPAR a, c and mutants after GW0742 docking and molecular dynamic simulations.

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