4AU8

Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule

4AU8 の概要

• エントリーDOI: 10.2210/pdb4au8/pdb
• 関連するPDBエントリー: 1H4L 1LFR 1UNG 1UNH 1UNL
• 分子名称: CYCLIN-DEPENDENT KINASE 5, SULFATE ION, 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide, ... (5 entities in total)
• 機能のキーワード: transferase, cdk2, alzheimer disease
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Isoform 1: Cytoplasm. Isoform 2: Nucleus: Q00535
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 68483.68

構造登録者

Malmstrom, J.,Viklund, J.,Slivo, C.,Costa, A.,Maudet, M.,Sandelin, C.,Hiller, G.,Olsson, L.L.,Aagaard, A.,Geschwindner, S.,Xue, Y.,Vasange, M. (登録日: 2012-05-14, 公開日: 2013-03-27, 最終更新日: 2024-05-01)

• 主引用文献: Malmstrom, J.,Viklund, J.,Slivo, C.,Costa, A.,Maudet, M.,Sandelin, C.,Hiller, G.,Olsson, L.L.,Aagaard, A.,Geschwindner, S.,Xue, Y.,Vasange, M.; Synthesis and Structure-Activity Relationship of 4-(1,3-Benzothiazol-2-Yl)-Thiophene-2-Sulfonamides as Cyclin-Dependent Kinase 5 (Cdk5)/P25 Inhibitors.; Bioorg.Med.Chem.Lett., 22:5919-, 2012; PubMed: 22889803; DOI: 10.1016/J.BMCL.2012.07.068

実験手法

X-RAY DIFFRACTION (1.9 Å)