4NIE

Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand

Summary for 4NIE

• Entry DOI: 10.2210/pdb4nie/pdb
• Descriptor: Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, ... (5 entities in total)
• Functional Keywords: nuclear receptor, ligand binding domain, transcription-agonist complex, transcription/agonist
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 4
• Total formula weight: 65684.45

Authors

Ma, Y.L.,Yang, L.Q. (deposition date: 2013-11-06, release date: 2013-12-11, Last modification date: 2024-03-20)

• Primary citation: Yang, T.,Liu, Q.,Cheng, Y.,Cai, W.,Ma, Y.,Yang, L.,Wu, Q.,Orband-Miller, L.A.,Zhou, L.,Xiang, Z.,Huxdorf, M.,Zhang, W.,Zhang, J.,Xiang, J.N.,Leung, S.,Qiu, Y.,Zhong, Z.,Elliott, J.D.,Lin, X.,Wang, Y.; Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.; Acs Med.Chem.Lett., 5:65-68, 2014; PubMed: 24900774; DOI: 10.1021/ml4003875

Experimental method

X-RAY DIFFRACTION (2.01 Å)