7O2V

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

Summary for 7O2V

• Entry DOI: 10.2210/pdb7o2v/pdb
• Descriptor: 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)
• Functional Keywords: serine/threonine, kinase, aurora, inhibitor, crystal, complex, cancer, tumor, dual, atp-binding, structure-based, drug design, sbdd, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 35495.38

Authors

Garau, G. (deposition date: 2021-03-31, release date: 2021-10-20, Last modification date: 2024-01-31)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (3.1 Å)