5V19

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

5V19 の概要

• エントリーDOI: 10.2210/pdb5v19/pdb
• 関連するPDBエントリー: 5V24
• 分子名称: Mitogen-activated protein kinase kinase kinase 5, N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide (3 entities in total)
• 機能のキーワード: transferase, metal-binding, apoptosis, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q99683
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 61430.23

構造登録者

Dougan, D.R.,Lawson, J.D.,Lane, W. (登録日: 2017-03-01, 公開日: 2017-03-29, 最終更新日: 2024-03-06)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (3.1 Å)