7XM5

Keap1 Kelch domain (residues 322-609) in complex with 6i

Summary for 7XM5

• Entry DOI: 10.2210/pdb7xm5/pdb
• Descriptor: Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide (3 entities in total)
• Functional Keywords: oxidative stress sensor, protein binding
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 32675.48

Authors

Xu, K. (deposition date: 2022-04-24, release date: 2022-07-06, Last modification date: 2024-11-20)

• Primary citation: Liu, G.,Hou, R.,Xu, L.,Zhang, X.,Yan, J.,Xing, C.,Xu, K.,Zhuang, C.; Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.; J.Med.Chem., 65:8289-8302, 2022; DOI: 10.1021/acs.jmedchem.2c00170

Experimental method

X-RAY DIFFRACTION (2.4 Å)