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; PubMed: 27031670; DOI: 10.1021/ACS.JMEDCHEM.6B00228

Experimental method

X-RAY DIFFRACTION (1.78 Å)