Brand  (β version)

PDB ID: 6QMD

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Ligands
Code Name Style Show Link
DMS Dimethyl sulfoxide PoSSuM
J6N (3~{R})-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 6QMD   PDBj   RCSB PDB   PDBe
Header : PROTEIN BINDING
Title : Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction
Release Data : 2019-04-24
Compound :
mol_id molecule chains synonym
1 Kelch-like ECH-associated protein 1 A Cytosolic inhibitor of Nrf2,INrf2
Source :
mol_id organism_scientific organism_common expression_system
1 Mus musculus  (taxid:10090) House mouse Escherichia coli BL21(DE3)  (taxid:469008)
gene: Keap1, Inrf2, Kiaa0132
Authors : Davies, T.G.
Keywords : Protein ubiquitination, oxidative stress, kelch motif, PROTEIN BINDING
Exp. method : X-RAY DIFFRACTION ( 1.94 Å )
Citation :

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.

Heightman, T.D.,Callahan, J.F.,Chiarparin, E.  et al.
(2019)  J.Med.Chem.  62 : 4683 - 4702

PubMed: 30973731
DOI: 10.1021/acs.jmedchem.9b00279

Reaction

Chain : A
UniProt : Q9Z2X8 (KEAP1_MOUSE)
Reaction : -