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. 2021 Aug 5;11:15887. doi: 10.1038/s41598-021-94707-2

Table 1.

X–ray crystal structures of AR LBD from Protein Data Bank and their 3D structural alignment complexed with various ligands.

PDB ID AR type Ligand
1XQ3 Wild type AR agonist (R1881)14 graphic file with name 41598_2021_94707_Figa_HTML.gif
1T63 Wild type AR agonist (dihydrotestosterone; DHT)15
2AX6 T877A mutant AR antagonist (hydroxyflutamide)16
2AXA Wild type AR agonist (S1)16
1Z95 W741L mutant AR antagonist (R-bicalutamide)17
2OZ7 T877A mutant AR antagonist (cyproterone acetate)18
2PIP Wild type AR agonist (DTH)/BF3 inhibitor (K10)19
3V49 Wild type SARM (diarylhydantoins)20
5JJM Wild type AR agonist (DHT)21
5VO4 Wild type SARM (pyrrole-2-carbonitrile derivatives)22

The key mutant residues (W741, T877 and F876) near the binding site for the ligands are represented as colored in blue. Image was created by using Visual Molecular Dynamics (VMD) v1.9.352.