6QMK
Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
Summary for 6QMK
Entry DOI | 10.2210/pdb6qmk/pdb |
Descriptor | Kelch-like ECH-associated protein 1, CHLORIDE ION, (3~{S})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid, ... (4 entities in total) |
Functional Keywords | protein ubiquitination, oxidative stress, kelch motif, protein binding |
Biological source | Mus musculus (House mouse) |
Total number of polymer chains | 1 |
Total formula weight | 35823.42 |
Authors | Davies, T.G. (deposition date: 2019-02-07, release date: 2019-04-24, Last modification date: 2024-05-15) |
Primary citation | Heightman, T.D.,Callahan, J.F.,Chiarparin, E.,Coyle, J.E.,Griffiths-Jones, C.,Lakdawala, A.S.,McMenamin, R.,Mortenson, P.N.,Norton, D.,Peakman, T.M.,Rich, S.J.,Richardson, C.,Rumsey, W.L.,Sanchez, Y.,Saxty, G.,Willems, H.M.G.,Wolfe 3rd, L.,Woolford, A.J.,Wu, Z.,Yan, H.,Kerns, J.K.,Davies, T.G. Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62:4683-4702, 2019 Cited by PubMed: 30973731DOI: 10.1021/acs.jmedchem.9b00279 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.72 Å) |
Structure validation
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