7O2V

AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8

7O2V の概要

• エントリーDOI: 10.2210/pdb7o2v/pdb
• 分子名称: Aurora kinase A, 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide (3 entities in total)
• 機能のキーワード: serine/threonine, kinase, aurora, inhibitor, crystal, complex, cancer, tumor, dual, atp-binding, structure-based, drug design, sbdd, 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: 35495.38

構造登録者

Garau, G. (登録日: 2021-03-31, 公開日: 2021-10-20, 最終更新日: 2024-01-31)

• 主引用文献: Sestito, S.,Bacci, A.,Chiarugi, S.,Runfola, M.,Gado, F.,Margheritis, E.,Gul, S.,Riveiro, M.E.,Vazquez, R.,Huguet, S.,Manera, C.,Rezai, K.,Garau, G.,Rapposelli, S.; Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.; Eur.J.Med.Chem., 226:113895-113895, 2021; PubMed: 34624821; DOI: 10.1016/j.ejmech.2021.113895

実験手法

X-RAY DIFFRACTION (3.1 Å)