5FNR

Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.

5FNR の概要

• エントリーDOI: 10.2210/pdb5fnr/pdb
• 関連するPDBエントリー: 5FNQ 5FNS 5FNT 5FNU
• 分子名称: KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid (3 entities in total)
• 機能のキーワード: transcription, keap1, nrf2, oxidative stress
• 由来する生物種: MUS MUSCULUS (HOUSE MOUSE)
• 細胞内の位置: Cytoplasm : Q9Z2X8
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 33678.05

構造登録者

Davies, T.G.,Wixted, W.E.,Coyle, J.E.,Griffiths-Jones, C.,Hearn, K.,McMenamin, R.,Norton, D.,Rich, S.J.,Richardson, C.,Saxty, G.,Willems, H.M.G.,Woolford, A.J.,Cottom, J.E.,Kou, J.,Yonchuk, J.G.,Feldser, H.G.,Sanchez, Y.,Foley, J.P.,Bolognese, B.J.,Logan, G.,Podolin, P.L.,Yan, H.,Callahan, J.F.,Heightman, T.D.,Kerns, J.K. (登録日: 2015-11-16, 公開日: 2016-04-13, 最終更新日: 2024-01-10)

• 主引用文献: Davies, T.G.,Wixted, W.E.,Coyle, J.E.,Griffiths-Jones, C.,Hearn, K.,Mcmenamin, R.L.,Norton, D.,Rich, S.J.,Richardson, C.,Saxty, G.,Willems, H.M.G.,Woolford, A.J.,Cottom, J.E.,Kou, J.,Yonchuk, J.G.,Feldser, H.G.,Sanchez, Y.,Foley, J.P.,Bolognese, B.J.,Logan, G.A.,Podolin, P.L.,Yan, H.,Callahan, J.F.,Heightman, T.D.,Kerns, J.K.; Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.; J.Med.Chem., 59:3991-, 2016; PubMed: 27031670; DOI: 10.1021/ACS.JMEDCHEM.6B00228

実験手法

X-RAY DIFFRACTION (1.89 Å)