3DCU

FXR with SRC1 and GSK8062

3DCU の概要

• エントリーDOI: 10.2210/pdb3dcu/pdb
• 関連するPDBエントリー: 3DCT
• 分子名称: Bile acid receptor, Nuclear receptor coactivator 1, 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, ... (4 entities in total)
• 機能のキーワード: fxr, nuclear receptor, gw4064, alpha-helical sandwich, activator, alternative splicing, dna-binding, metal-binding, nucleus, receptor, repressor, transcription regulation, zinc, zinc-finger, acyltransferase, chromosomal rearrangement, phosphoprotein, polymorphism, proto-oncogene, transferase, ubl conjugation, transcription-transcription activator complex, transcription/transcription activator
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Nucleus . Isoform 1: Nucleus . Isoform 2: Nucleus . Isoform 3: Nucleus . Isoform 4: Nucleus : Q96RI1; Nucleus : Q15788
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 30692.03

構造登録者

Williams, S.P.,Madauss, K.P. (登録日: 2008-06-04, 公開日: 2008-08-12, 最終更新日: 2023-08-30)

主引用文献

Akwabi-Ameyaw, A.,Bass, J.Y.,Caldwell, R.D.,Caravella, J.A.,Chen, L.,Creech, K.L.,Deaton, D.N.,Jones, S.A.,Kaldor, I.,Liu, Y.,Madauss, K.P.,Marr, H.B.,McFadyen, R.B.,Miller, A.B.,III, F.N.,Parks, D.J.,Spearing, P.K.,Todd, D.,Williams, S.P.,Wisely, G.B.
Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18:4339-4343, 2008

PubMed Abstract: Starting from the known FXR agonist GW 4064 1a, a series of stilbene replacements were prepared. The 6-substituted 1-naphthoic acid 1b was an equipotent FXR agonist with improved developability parameters relative to 1a. Analog 1b also reduced the severity of cholestasis in the ANIT acute cholestatic rat model.

PubMed: 18621523
DOI: 10.1016/j.bmcl.2008.06.073

実験手法

X-RAY DIFFRACTION (2.95 Å)