8SV9

Crystal structure of ULK1 kinase domain with inhibitor MR-2088

Summary for 8SV9

Entry DOI	10.2210/pdb8sv9/pdb
Descriptor	Serine/threonine-protein kinase ULK1, (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, SULFATE ION, ... (5 entities in total)
Functional Keywords	autophagy, inhibitor, complex, kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	65735.31
Authors	Schonbrunn, E.,Sun, L. (deposition date: 2023-05-15, release date: 2024-03-27)
Primary citation	Morozova, A.,Chan, S.C.,Bayle, S.,Sun, L.,Grassie, D.,Iermolaieva, A.,Kalaga, M.N.,Frydman, S.,Sansil, S.,Schonbrunn, E.,Duckett, D.,Monastyrskyi, A. Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties. Eur.J.Med.Chem., 266:116101-116101, 2024 Cited by PubMed: 38232465 DOI: 10.1016/j.ejmech.2023.116101 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation