4CBY

Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease

4CBY の概要

• エントリーDOI: 10.2210/pdb4cby/pdb
• 関連するPDBエントリー: 4CBT
• 分子名称: HISTONE DEACETYLASE 4, (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: hydrolase, neurodegeneration, amyotrophic lateral sclerosis, muscle atrophy, class iia histone deacetylase inhibitors, sar, hydroxamic acid, cyclopropanation
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Nucleus: P56524
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 173010.80

構造登録者

Burli, R.W.,Luckhurst, C.A.,Aziz, O.,Matthews, K.L.,Yates, D.,Lyons, K.A.,Beconi, M.,McAllister, G.,Breccia, P.,Stott, A.J.,Penrose, S.D.,Wall, M.,Lamers, M.,Leonard, P.,Mueller, I.,Richardson, C.M.,Jarvis, R.,Stones, L.,Hughes, S.,Wishart, G.,Haughan, A.F.,O'Connell, C.,Mead, T.,McNeil, H.,Vann, J.,Mangette, J.,Maillard, M.,Beaumont, V.,Munoz-Sanjuan, I.,Dominguez, C. (登録日: 2013-10-17, 公開日: 2013-12-11, 最終更新日: 2018-02-07)

• 主引用文献: Burli, R.W.,Luckhurst, C.A.,Aziz, O.,Matthews, K.L.,Yates, D.,Lyons, K.A.,Beconi, M.,McAllister, G.,Breccia, P.,Stott, A.J.,Penrose, S.D.,Wall, M.,Lamers, M.,Leonard, P.,Muller, I.,Richardson, C.M.,Jarvis, R.,Stones, L.,Hughes, S.,Wishart, G.,Haughan, A.F.,O'Connell, C.,Mead, T.,McNeil, H.,Vann, J.,Mangette, J.,Maillard, M.,Beaumont, V.,Munoz-Sanjuan, I.,Dominguez, C.; Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.; J. Med. Chem., 56:9934-9954, 2013; PubMed: 24261862; DOI: 10.1021/jm4011884

実験手法

X-RAY DIFFRACTION (2.72 Å)