4D1X

CDK2 in complex with Luciferin

4D1X の概要

• エントリーDOI: 10.2210/pdb4d1x/pdb
• 関連するPDBエントリー: 4D1Z
• 分子名称: CYCLIN-DEPENDENT KINASE 2, (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (3 entities in total)
• 機能のキーワード: transferase, kinase
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Cytoplasm, cytoskeleton, microtubule organizing center, centrosome: P24941
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34256.81

構造登録者

Rothweiler, U.,Engh, R.A. (登録日: 2014-05-05, 公開日: 2015-03-18, 最終更新日: 2023-12-20)

主引用文献

Rothweiler, U.,Eriksson, J.,Stensen, W.,Leeson, F.,Engh, R.A.,Svendsen, J.S.
Luciferin and Derivatives as a Dyrk Selective Scaffold for the Design of Protein Kinase Inhibitors.
Eur.J.Med.Chem., 94:140-, 2015

PubMed Abstract: D-Luciferin is widely used as a substrate in luciferase catalysed bioluminescence assays for in vitro studies. However, little is known about cross reactivity and potential interference of D-luciferin with other enzymes. We serendipitously found that firefly luciferin inhibited the CDK2/Cyclin A protein kinase. Inhibition profiling of D-luciferin over a 103-protein kinase panel showed significant inhibition of a small set of protein kinases, in particular the DYRK-family, but also other members of the CMGC-group, including ERK8 and CK2. Inhibition profiling on a 16-member focused library derived from D-luciferin confirms that D-luciferin represents a DYRK-selective chemotype of fragment-like molecular weight. Thus, observation of its inhibitory activity and the initial SAR information reported here promise to be useful for further design of protein kinase inhibitors with related scaffolds.

PubMed: 25768698
DOI: 10.1016/J.EJMECH.2015.02.035

実験手法

X-RAY DIFFRACTION (2.1 Å)