5IEV

Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2

5IEV の概要

• エントリーDOI: 10.2210/pdb5iev/pdb
• 分子名称: Cyclin-dependent kinase 2, Roniciclib (3 entities in total)
• 機能のキーワード: antineoplastic agents, cyclin-dependent kinases, dose-response relationship, drug, drug discovery, hela cells, neoplasms, protein kinase inhibitors, pyrimidines, structure-activity relationship, structure-kinetics relationship, sulfoxides, biophysical assays, tumor, transferase
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34406.93

構造登録者

Ayaz, P.,Andres, D.,Kwiatkowski, D.A.,Kolbe, C.,Lienau, P.,Siemeister, G.,Luecking, U.,Stegmann, C.M. (登録日: 2016-02-25, 公開日: 2016-04-27, 最終更新日: 2022-10-26)

• 主引用文献: Ayaz, P.,Andres, D.,Kwiatkowski, D.A.,Kolbe, C.C.,Lienau, P.,Siemeister, G.,Luecking, U.,Stegmann, C.M.; Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.; Acs Chem.Biol., 11:1710-1719, 2016; PubMed: 27090615; DOI: 10.1021/acschembio.6b00074

実験手法

X-RAY DIFFRACTION (2.03 Å)