Multiple binding modes of a small molecule to human Keap1 revealed by X-ray crystallography and molecular dynamics simulation

Article ID	Journal	Published Year	Pages	File Type
1981619	FEBS Open Bio	2015	14 Pages	PDF

Keywords

DTT PDB Nrf2 keap1 β-Propeller Crystal packing Oxidative stress Molecular dynamics dithiothreitol Structure-based drug design nuclear factor erythroid 2-related factor 2 Antioxidant response Protein Data Bank Kelch-like ECH-associated protein 1 Fragment-based drug discovery

Related Topics

Life Sciences Biochemistry, Genetics and Molecular Biology Biochemistry

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Multiple binding modes of a small molecule to human Keap1 revealed by X-ray crystallography and molecular dynamics simulation

Authors

Mikiya Satoh, Hajime Saburi, Tomoyuki Tanaka, Yoshinori Matsuura, Hisashi Naitow, Rieko Shimozono, Naoyoshi Yamamoto, Hideki Inoue, Noriko Nakamura, Yoshitaka Yoshizawa, Takumi Aoki, Ryuji Tanimura, Naoki Kunishima,