5IEY

Crystal structure of a CDK inhibitor bound to CDK2

5IEY の概要

• エントリーDOI: 10.2210/pdb5iey/pdb
• 分子名称: Cyclin-dependent kinase 2, 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide (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, molecular structure, neoplasms, protein kinase inhibitors, pyrimidines, structure-activity relationship, structure-kinetics relationship, sulfoxides, biophysical assays, tumor, humans, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34313.88

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: 2024-05-08)

• 主引用文献: Ayaz, P.,Andres, D.,Kwiatkowski, D.A.,Kolbe, C.C.,Lienau, P.,Siemeister, G.,Lucking, 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 (1.66 Å)