4NY9

Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide

4NY9 の概要

• エントリーDOI: 10.2210/pdb4ny9/pdb
• 分子名称: Nuclear receptor subfamily 1 group I member 2, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: pregnane x receptor, pxr, ligand binding domain, steroid receptor coactivator-1; ccr1, chemokine receptor-1; nr, nuclear receptor; af, activation function; mdr1, multi-drug resistance gene-1, transcription-transcription inhibitor complex, transcription/transcription inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus : O75469
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 33978.83

構造登録者

Khan, J.A.,Camac, D.M. (登録日: 2013-12-10, 公開日: 2014-08-27, 最終更新日: 2024-02-28)

• 主引用文献: Santella, J.B.,Gardner, D.S.,Duncia, J.V.,Wu, H.,Dhar, M.,Cavallaro, C.,Tebben, A.J.,Carter, P.H.,Barrish, J.C.,Yarde, M.,Briceno, S.W.,Cvijic, M.E.,Grafstrom, R.R.,Liu, R.,Patel, S.R.,Watson, A.J.,Yang, G.,Rose, A.V.,Vickery, R.D.,Caceres-Cortes, J.,Caporuscio, C.,Camac, D.M.,Khan, J.A.,An, Y.,Foster, W.R.,Davies, P.,Hynes, J.; Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis.; J.Med.Chem., 57:7550-7564, 2014; PubMed: 25101488; DOI: 10.1021/jm5003167

実験手法

X-RAY DIFFRACTION (2.8 Å)