5V24

Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy

Summary for 5V24

• Entry DOI: 10.2210/pdb5v24/pdb
• Related: 5V19
• Descriptor: Mitogen-activated protein kinase kinase kinase 5, 2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide (3 entities in total)
• Functional Keywords: transferase, metal-binding, apoptosis, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q99683
• Total number of polymer chains: 2
• Total formula weight: 61648.53

Authors

Dougan, D.R.,Lawson, J.D. (deposition date: 2017-03-02, release date: 2017-03-29, Last modification date: 2024-03-06)

• Primary citation: Gibson, T.S.,Johnson, B.,Fanjul, A.,Halkowycz, P.,Dougan, D.R.,Cole, D.,Swann, S.; Structure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy.; Bioorg. Med. Chem. Lett., 27:1709-1713, 2017; PubMed: 28291695; DOI: 10.1016/j.bmcl.2017.02.079

Experimental method

X-RAY DIFFRACTION (2.5 Å)