8A46

Crystal structure of the human Kelch domain of Keap1 in complex with compound S217879

Summary for 8A46

• Entry DOI: 10.2210/pdb8a46/pdb
• Descriptor: Kelch-like ECH-associated protein 1, 2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid (3 entities in total)
• Functional Keywords: master regulator of cellular resistance to oxidants, transcription
• Biological source: Mus musculus (house mouse)
• Total number of polymer chains: 1
• Total formula weight: 34368.43

Authors

Weber, C.,Vuillard, L.,Delerive, P.,Miallau, L. (deposition date: 2022-06-10, release date: 2022-07-13, Last modification date: 2023-10-11)

• Primary citation: Seedorf, K.,Weber, C.,Vinson, C.,Berger, S.,Vuillard, L.M.,Kiss, A.,Creusot, S.,Broux, O.,Geant, A.,Ilic, C.,Lemaitre, K.,Richard, J.,Hammoutene, A.,Mahieux, J.,Martiny, V.,Durand, D.,Melchiore, F.,Nyerges, M.,Paradis, V.,Provost, N.,Duvivier, V.,Delerive, P.; Selective disruption of NRF2-KEAP1 interaction leads to NASH resolution and reduction of liver fibrosis in mice.; JHEP Rep, 5:100651-100651, 2023; PubMed: 36866391; DOI: 10.1016/j.jhepr.2022.100651

Experimental method

X-RAY DIFFRACTION (1.323 Å)