5V19

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

Summary for 5V19

• Entry DOI: 10.2210/pdb5v19/pdb
• Related: 5V24
• Descriptor: Mitogen-activated protein kinase kinase kinase 5, N-(1-ethyl-1H-pyrazol-4-yl)furan-3-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: 61430.23

Authors

Dougan, D.R.,Lawson, J.D.,Lane, W. (deposition date: 2017-03-01, 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 (3.1 Å)