6OYT

ASK1 kinase domain in complex with GS-4997

Summary for 6OYT

Entry DOI	10.2210/pdb6oyt/pdb
Descriptor	Mitogen-activated protein kinase kinase kinase 5, 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide, ACETATE ION, ... (4 entities in total)
Functional Keywords	ask1 map3k5, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	129121.81
Authors	Marcotte, D.J. (deposition date: 2019-05-15, release date: 2019-11-27, Last modification date: 2023-10-11)
Primary citation	Himmelbauer, M.K.,Xin, Z.,Jones, J.H.,Enyedy, I.,King, K.,Marcotte, D.J.,Murugan, P.,Santoro, J.C.,Hesson, T.,Spilker, K.,Johnson, J.L.,Luzzio, M.J.,Gilfillan, R.,de Turiso, F.G. Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors. J.Med.Chem., 62:10740-10756, 2019 Cited by PubMed: 31710475 DOI: 10.1021/acs.jmedchem.9b01206 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.824 Å)

Structure validation