6QMD

Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction

6QMD の概要

• エントリーDOI: 10.2210/pdb6qmd/pdb
• 分子名称: Kelch-like ECH-associated protein 1, DIMETHYL SULFOXIDE, (3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, ... (4 entities in total)
• 機能のキーワード: protein ubiquitination, oxidative stress, kelch motif, protein binding
• 由来する生物種: Mus musculus (House mouse)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35961.01

構造登録者

Davies, T.G. (登録日: 2019-02-07, 公開日: 2019-04-24, 最終更新日: 2019-05-22)

• 主引用文献: Heightman, T.D.,Callahan, J.F.,Chiarparin, E.,Coyle, J.E.,Griffiths-Jones, C.,Lakdawala, A.S.,McMenamin, R.,Mortenson, P.N.,Norton, D.,Peakman, T.M.,Rich, S.J.,Richardson, C.,Rumsey, W.L.,Sanchez, Y.,Saxty, G.,Willems, H.M.G.,Wolfe 3rd, L.,Woolford, A.J.,Wu, Z.,Yan, H.,Kerns, J.K.,Davies, T.G.; Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.; J.Med.Chem., 62:4683-4702, 2019; PubMed: 30973731; DOI: 10.1021/acs.jmedchem.9b00279

実験手法

X-RAY DIFFRACTION (1.94 Å)