4WLB

Crystal structure of RORc in complex with a partial inverse agonist compound

4WLB の概要

• エントリーDOI: 10.2210/pdb4wlb/pdb
• 分子名称: Nuclear receptor ROR-gamma, SRC-1 peptide, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, ... (5 entities in total)
• 機能のキーワード: nuclear receptor ligand binding domain, transcription
• 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: 4
• 化学式量合計: 64866.79

構造登録者

Boenig, G.,Hymowitz, S.G.,Kiefer, J.R. (登録日: 2014-10-07, 公開日: 2014-11-12, 最終更新日: 2024-10-23)

主引用文献

van Niel, M.B.,Fauber, B.P.,Cartwright, M.,Gaines, S.,Killen, J.C.,Rene, O.,Ward, S.I.,de Leon Boenig, G.,Deng, Y.,Eidenschenk, C.,Everett, C.,Gancia, E.,Ganguli, A.,Gobbi, A.,Hawkins, J.,Johnson, A.R.,Kiefer, J.R.,La, H.,Lockey, P.,Norman, M.,Ouyang, W.,Qin, A.,Wakes, N.,Waszkowycz, B.,Wong, H.
A reversed sulfonamide series of selective RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24:5769-5776, 2014

PubMed Abstract: The identification of a new series of RORc inverse agonists is described. Comprehensive structure-activity relationship studies of this reversed sulfonamide series identified potent RORc inverse agonists in biochemical and cellular assays which were also selective against a panel of nuclear receptors. Our work has contributed a compound that may serve as a useful in vitro tool to delineate the complex biological pathways involved in signalling through RORc. An X-ray co-crystal structure of an analogue with RORc has also provided useful insights into the binding interactions of the new series.

PubMed: 25453817
DOI: 10.1016/j.bmcl.2014.10.037

実験手法

X-RAY DIFFRACTION (1.702 Å)