5VIO

Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13)

Summary for 5VIO

Entry DOI	10.2210/pdb5vio/pdb
Related	5VIL
Descriptor	Mitogen-activated protein kinase kinase kinase 5, 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide (3 entities in total)
Functional Keywords	ask1, kinase drug discovery, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: Q99683
Total number of polymer chains	4
Total formula weight	133101.75
Authors	Jasti, J.,Chang, J.,Kurumbail, R. (deposition date: 2017-04-17, release date: 2018-01-17, Last modification date: 2024-03-06)
Primary citation	Lovering, F.,Morgan, P.,Allais, C.,Aulabaugh, A.,Brodfuehrer, J.,Chang, J.,Coe, J.,Ding, W.,Dowty, H.,Fleming, M.,Frisbie, R.,Guzova, J.,Hepworth, D.,Jasti, J.,Kortum, S.,Kurumbail, R.,Mohan, S.,Papaioannou, N.,Strohbach, J.W.,Vincent, F.,Lee, K.,Zapf, C.W. Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. Eur J Med Chem, 145:606-621, 2017 Cited by PubMed: 29348070 DOI: 10.1016/j.ejmech.2017.12.041 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.84 Å)

Structure validation