5YP5

Crystal structure of RORgamma complexed with SRC2 and compound 5d

5YP5 の概要

• エントリーDOI: 10.2210/pdb5yp5/pdb
• 分子名称: Nuclear receptor ROR-gamma, SRC2-2 peptide, 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, ... (4 entities in total)
• 機能のキーワード: complex structure, nuclear receptor ror, transcription factor, transcription-inhibitor complex, transcription/inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• 細胞内の位置: Nucleus : P51449
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 29877.82

構造登録者

Gao, M.,Cai, W.,Chunwa, C. (登録日: 2017-11-01, 公開日: 2018-04-04, 最終更新日: 2024-03-27)

主引用文献

Wang, Y.,Cai, W.,Tang, T.,Liu, Q.,Yang, T.,Yang, L.,Ma, Y.,Zhang, G.,Huang, Y.,Song, X.,Orband-Miller, L.A.,Wu, Q.,Zhou, L.,Xiang, Z.,Xiang, J.N.,Leung, S.,Shao, L.,Lin, X.,Lobera, M.,Ren, F.
From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9:120-124, 2018

PubMed Abstract: Biaryl amides as new RORγt modulators were discovered. The crystal structure of biaryl amide agonist in complex with RORγt ligand binding domain (LBD) was resolved, and both "short" and "long" inverse agonists were obtained by removing from or adding to a proper structural moiety. While "short" inverse agonist () recruits a corepressor peptide and dispels a coactivator peptide, "long" inverse agonist () dispels both. The two types of inverse agonists can be utilized as potential tools to study mechanisms of Th17 transcriptional network inhibition and related disease biology.

PubMed: 29456799
DOI: 10.1021/acsmedchemlett.7b00476

実験手法

X-RAY DIFFRACTION (2.65 Å)