7OFA

Keap1 kelch domain bound to a small molecule fragment

7OFA の概要

• エントリーDOI: 10.2210/pdb7ofa/pdb
• 分子名称: Kelch-like ECH-associated protein 1, 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, ... (4 entities in total)
• 機能のキーワード: keap1, nrf2, oxidative stress, small molecule complex, maybridge, peptide binding protein
• 由来する生物種: Mus musculus (Mouse)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 33650.42

構造登録者

Narayanan, D.,Bach, A.,Gajhede, M. (登録日: 2021-05-04, 公開日: 2022-11-02, 最終更新日: 2024-01-31)

• 主引用文献: Narayanan, D.,Tran, K.T.,Pallesen, J.S.,Solbak, S.M.O.,Qin, Y.,Mukminova, E.,Luchini, M.,Vasilyeva, K.O.,Gonzalez Chichon, D.,Goutsiou, G.,Poulsen, C.,Haapanen, N.,Popowicz, G.M.,Sattler, M.,Olagnier, D.,Gajhede, M.,Bach, A.; Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.; J.Med.Chem., 65:14481-14526, 2022; PubMed: 36263945; DOI: 10.1021/acs.jmedchem.2c00830

実験手法

X-RAY DIFFRACTION (2.22 Å)