3RUU

FXR with SRC1 and GSK237

Summary for 3RUU

• Entry DOI: 10.2210/pdb3ruu/pdb
• Related: 3RUT 3RVF
• Descriptor: Bile acid receptor, Nuclear receptor coactivator 1, SULFATE ION, ... (5 entities in total)
• Functional Keywords: nuclear receptor, alpha-helical sandwich, transcription factor, rxr, transcription co-factors, bile acid, farnesoid, transcription regulator
• Biological source: Homo sapiens (human); More
• Cellular location: Nucleus . Isoform 1: Nucleus . Isoform 2: Nucleus . Isoform 3: Nucleus . Isoform 4: Nucleus : Q96RI1; Nucleus : Q15788
• Total number of polymer chains: 2
• Total formula weight: 28932.95

Authors

Williams, S.P.,Madauss, K.P. (deposition date: 2011-05-05, release date: 2011-09-21, Last modification date: 2024-02-28)

Primary citation

Akwabi-Ameyaw, A.,Caravella, J.A.,Chen, L.,Creech, K.L.,Deaton, D.N.,Madauss, K.P.,Marr, H.B.,Miller, A.B.,Navas, F.,Parks, D.J.,Spearing, P.K.,Todd, D.,Williams, S.P.,Wisely, G.B.
Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21:6154-6160, 2011

PubMed Abstract: To further explore the optimum placement of the acid moiety in conformationally constrained analogs of GW 4064 1a, a series of stilbene replacements were prepared. The benzothiophene 1f and the indole 1g display the optimal orientation of the carboxylate for enhanced FXR agonist potency.

PubMed: 21890356
DOI: 10.1016/j.bmcl.2011.08.034

Experimental method

X-RAY DIFFRACTION (2.502 Å)