2GIU

Human estrogen receptor beta ligand-binding domain in complex with compound 45

Summary for 2GIU

• Entry DOI: 10.2210/pdb2giu/pdb
• Descriptor: Estrogen receptor beta, (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one (3 entities in total)
• Functional Keywords: nuclear receptor, transcription factor, er-beta, agonist, transcription regulator
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus : Q92731
• Total number of polymer chains: 1
• Total formula weight: 27557.53

Authors

Fitzgerald, P.M.D.,Sharma, N. (deposition date: 2006-03-29, release date: 2006-10-10, Last modification date: 2024-04-03)

Primary citation

Wilkening, R.R.,Ratcliffe, R.W.,Tynebor, E.C.,Wildonger, K.J.,Fried, A.K.,Hammond, M.L.,Mosley, R.T.,Fitzgerald, P.M.D.,Sharma, N.,McKeever, B.M.,Nilsson, S.,Carlquist, M.,Thorsell, A.,Locco, L.,Katz, R.,Frisch, K.,Birzin, E.T.,Wilkinson, H.A.,Mitra, S.,Cai, S.,Hayes, E.C.,Schaeffer, J.M.,Rohrer, S.P.
The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands.
Bioorg.Med.Chem.Lett., 16:3489-3494, 2006

PubMed Abstract: Synthesis and derivatization of a series of substituted tetrahydrofluorenone analogs giving potent, ERbeta subtype selective ligands are described. Several analogs possessing ERbeta binding affinities comparable to 17beta-estradiol but with greater than 75-fold selectivity over ERalpha are reported.

PubMed: 16632357
DOI: 10.1016/j.bmcl.2006.03.098

Experimental method

X-RAY DIFFRACTION (2.2 Å)