6B30

Structure of RORgt in complex with a novel inverse agonist 1

Summary for 6B30

• Entry DOI: 10.2210/pdb6b30/pdb
• Descriptor: Nuclear receptor ROR-gamma, N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide (3 entities in total)
• Functional Keywords: complex, inverse agonist, nuclear hormone receptor, signaling protein
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus : P51449
• Total number of polymer chains: 2
• Total formula weight: 50908.96

Authors

Skene, R.J.,Hoffman, I. (deposition date: 2017-09-20, release date: 2018-01-03, Last modification date: 2024-03-13)

• Primary citation: Shirai, J.,Tomata, Y.,Kono, M.,Ochida, A.,Fukase, Y.,Sato, A.,Masada, S.,Kawamoto, T.,Yonemori, K.,Koyama, R.,Nakagawa, H.,Nakayama, M.,Uga, K.,Shibata, A.,Koga, K.,Okui, T.,Shirasaki, M.,Skene, R.,Sang, B.,Hoffman, I.,Lane, W.,Fujitani, Y.,Yamasaki, M.,Yamamoto, S.; Discovery of orally efficacious ROR gamma t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds.; Bioorg. Med. Chem., 26:483-500, 2018; PubMed: 29262987; DOI: 10.1016/j.bmc.2017.12.006

Experimental method

X-RAY DIFFRACTION (2.69 Å)