5VIL

Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6)

Summary for 5VIL

• Entry DOI: 10.2210/pdb5vil/pdb
• Related: 5VIO
• Descriptor: Mitogen-activated protein kinase kinase kinase 5, 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: 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: 133896.82

Authors

Jasti, J.,Chang, J.,Kurumbail, R. (deposition date: 2017-04-17, release date: 2018-01-17, Last modification date: 2023-10-04)

• 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; PubMed: 29348070; DOI: 10.1016/j.ejmech.2017.12.041

Experimental method

X-RAY DIFFRACTION (2.64 Å)