3L0E

X-ray crystal structure of a Potent Liver X Receptor Modulator

3L0E の概要

• エントリーDOI: 10.2210/pdb3l0e/pdb
• 関連するPDBエントリー: 1P8D 1PQ6 1PQ9 1UPV
• 分子名称: Oxysterols receptor LXR-beta, Nuclear receptor coactivator 2, N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide, ... (4 entities in total)
• 機能のキーワード: hlxr-beta, human liver x receptor-beta, sulfonamide modulator, dna-binding, metal-binding, nucleus, receptor, transcription, transcription regulation, zinc-finger, activator, phosphoprotein
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Nucleus : P55055 Q15596
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 30738.47

構造登録者

Gampe Jr., R.T. (登録日: 2009-12-09, 公開日: 2010-04-07, 最終更新日: 2023-09-06)

主引用文献

Zuercher, W.J.,Buckholz, R.G.,Campobasso, N.,Collins, J.L.,Galardi, C.M.,Gampe, R.T.,Hyatt, S.M.,Merrihew, S.L.,Moore, J.T.,Oplinger, J.A.,Reid, P.R.,Spearing, P.K.,Stanley, T.B.,Stewart, E.L.,Willson, T.M.
Discovery of tertiary sulfonamides as potent liver X receptor antagonists.
J.Med.Chem., 53:3412-3416, 2010

PubMed Abstract: Tertiary sulfonamides were identified in a HTS as dual liver X receptor (LXR, NR1H2, and NR1H3) ligands, and the binding affinity of the series was increased through iterative analogue synthesis. A ligand-bound cocrystal structure was determined which elucidated key interactions for high binding affinity. Further characterization of the tertiary sulfonamide series led to the identification of high affinity LXR antagonists. GSK2033 (17) is the first potent cell-active LXR antagonist described to date. 17 may be a useful chemical probe to explore the cell biology of this orphan nuclear receptor.

PubMed: 20345102
DOI: 10.1021/jm901797p

実験手法

X-RAY DIFFRACTION (2.3 Å)