5FNU
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Summary for 5FNU
Entry DOI | 10.2210/pdb5fnu/pdb |
Related | 5FNQ 5FNR 5FNS 5FNT |
Descriptor | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, ... (4 entities in total) |
Functional Keywords | transcription, keap1, nrf2, oxidative stress |
Biological source | MUS MUSCULUS (HOUSE MOUSE) |
Cellular location | Cytoplasm : Q9Z2X8 |
Total number of polymer chains | 1 |
Total formula weight | 33948.38 |
Authors | Davies, T.G.,Wixted, W.E.,Coyle, J.E.,Griffiths-Jones, C.,Hearn, K.,McMenamin, R.,Norton, D.,Rich, S.J.,Richardson, C.,Saxty, G.,Willems, H.M.G.,Woolford, A.J.,Cottom, J.E.,Kou, J.,Yonchuk, J.G.,Feldser, H.G.,Sanchez, Y.,Foley, J.P.,Bolognese, B.J.,Logan, G.,Podolin, P.L.,Yan, H.,Callahan, J.F.,Heightman, T.D.,Kerns, J.K. (deposition date: 2015-11-16, release date: 2016-04-13, Last modification date: 2024-01-10) |
Primary citation | Davies, T.G.,Wixted, W.E.,Coyle, J.E.,Griffiths-Jones, C.,Hearn, K.,Mcmenamin, R.L.,Norton, D.,Rich, S.J.,Richardson, C.,Saxty, G.,Willems, H.M.G.,Woolford, A.J.,Cottom, J.E.,Kou, J.,Yonchuk, J.G.,Feldser, H.G.,Sanchez, Y.,Foley, J.P.,Bolognese, B.J.,Logan, G.A.,Podolin, P.L.,Yan, H.,Callahan, J.F.,Heightman, T.D.,Kerns, J.K. Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59:3991-, 2016 Cited by PubMed: 27031670DOI: 10.1021/ACS.JMEDCHEM.6B00228 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.78 Å) |
Structure validation
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