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: 2024-05-01) |
| 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 Cited by PubMed Abstract: Oxidative stress is recognized as a major driver of non-alcoholic steatohepatitis (NASH) progression. The transcription factor NRF2 and its negative regulator KEAP1 are master regulators of redox, metabolic and protein homeostasis, as well as detoxification, and thus appear to be attractive targets for the treatment of NASH. PubMed: 36866391DOI: 10.1016/j.jhepr.2022.100651 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.323 Å) |
Structure validation
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