5YP5

Crystal structure of RORgamma complexed with SRC2 and compound 5d

Summary for 5YP5

• Entry DOI: 10.2210/pdb5yp5/pdb
• Descriptor: 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)
• Functional Keywords: complex structure, nuclear receptor ror, transcription factor, transcription-inhibitor complex, transcription/inhibitor
• Biological source: Homo sapiens (Human); More
• Cellular location: Nucleus : P51449
• Total number of polymer chains: 2
• Total formula weight: 29877.82

Authors

Gao, M.,Cai, W.,Chunwa, C. (deposition date: 2017-11-01, release date: 2018-04-04, Last modification date: 2024-03-27)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (2.65 Å)