3RLJ

Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22

Summary for 3RLJ

Entry DOI	10.2210/pdb3rlj/pdb
Related	3RLL
Descriptor	Androgen receptor, (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide (3 entities in total)
Functional Keywords	steroid receptor, dht, testosterone, transcription
Biological source	Homo sapiens (human)
Cellular location	Nucleus: P10275
Total number of polymer chains	1
Total formula weight	29206.17
Authors	Bohl, C.E.,Duke, C.B.,Jones, A.,Dalton, J.T.,Miller, D.D. (deposition date: 2011-04-19, release date: 2011-05-04, Last modification date: 2023-09-13)
Primary citation	Duke, C.B.,Jones, A.,Bohl, C.E.,Dalton, J.T.,Miller, D.D. Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets. J.Med.Chem., 54:3973-3976, 2011 Cited by PubMed Abstract: Several new androgen receptor antagonists were synthesized and found to have varying activities across typically anti-androgen resistant mutants (Thr877 → Ala and Trp741 → Leu) and markedly improved potency over previously reported pan-antagonists. X-ray crystallography of a new anti-androgen in an androgen receptor mutant (Thr877 → Ala) shows that the receptor can accommodate the added bulk presented by phenyl to naphthyl substitution, casting doubt on previous reports of predicted binding orientation and the causes of antagonism in bulky-B-ring antagonists. PubMed: 21506597 DOI: 10.1021/jm2000097 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation