7Q96

Keap1 compound complex

7Q96 の概要

• エントリーDOI: 10.2210/pdb7q96/pdb
• 分子名称: Kelch-like ECH-associated protein 1, 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: macrocycle complex, structural protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 64775.86

構造登録者

Johansson, P. (登録日: 2021-11-12, 公開日: 2022-03-16, 最終更新日: 2024-01-31)

• 主引用文献: Begnini, F.,Geschwindner, S.,Johansson, P.,Wissler, L.,Lewis, R.J.,Danelius, E.,Luttens, A.,Matricon, P.,Carlsson, J.,Lenders, S.,Konig, B.,Friedel, A.,Sjo, P.,Schiesser, S.,Kihlberg, J.; Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.; J.Med.Chem., 65:3473-3517, 2022; PubMed: 35108001; DOI: 10.1021/acs.jmedchem.1c01975

実験手法

X-RAY DIFFRACTION (2.415 Å)