Multiple binding modes of a small molecule to human Keap1 revealed by X-ray crystallography and molecular dynamics simulation
Keywords: β-پروانه; DTT; dithiothreitol; Keap1; Kelch-like ECH-associated protein 1; MD; molecular dynamics; Nrf2; Nuclear factor erythroid 2-related factor 2; PDB; Protein Data Bank; Oxidative stress; Antioxidant response; β-Propeller; Crystal packing; Fragment-based drug