3DT3

Human Estrogen receptor alpha LBD with GW368

3DT3 の概要

• エントリーDOI: 10.2210/pdb3dt3/pdb
• 関連するPDBエントリー: 1L2I 1UOM 1X7E 1X7R 2OUZ 3ERT
• 分子名称: Estrogen receptor, 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol (3 entities in total)
• 機能のキーワード: estrogen receptor, nuclear receptor, serm, transcription factor, alpha-helical sandwich, dna-binding, lipid-binding, metal-binding, nucleus, phosphoprotein, receptor, steroid-binding, transcription, transcription regulation, zinc-finger
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Isoform 1: Nucleus . Isoform 3: Nucleus. Nucleus: P03372
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 58959.39

構造登録者

Williams, S.P.,Miller, A.B. (登録日: 2008-07-14, 公開日: 2008-09-09, 最終更新日: 2024-04-03)

主引用文献

Fang, J.,Akwabi-Ameyaw, A.,Britton, J.E.,Katamreddy, S.R.,Navas, F.,Miller, A.B.,Williams, S.P.,Gray, D.W.,Orband-Miller, L.A.,Shearin, J.,Heyer, D.
Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands.
Bioorg.Med.Chem.Lett., 18:5075-5077, 2008

PubMed Abstract: A series of estrogen receptor ligands based on a 3-alkyl naphthalene scaffold was synthesized using an intramolecular enolate-alkyne cycloaromatization as the key step. Several of these compounds bearing a C6-OH group were shown to be high affinity ligands. All compounds had similar ERalpha and ERbeta binding affinity ranging from micromolar to low nanomolar.

PubMed: 18722117
DOI: 10.1016/j.bmcl.2008.07.121

実験手法

X-RAY DIFFRACTION (2.4 Å)