6SP1
KEAP1 IN COMPLEX WITH COMPOUND 6
Summary for 6SP1
Entry DOI | 10.2210/pdb6sp1/pdb |
Descriptor | Kelch-like ECH-associated protein 1, (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, ... (4 entities in total) |
Functional Keywords | nrf2, keap1, protein-protein interactions, huntingtons disease, tetrahydroisoquinoline, protein binding |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 65295.75 |
Authors | Ontoria, J.M.,Biancofiore, I.,Fezzardi, P.,Torrente de Haro, E.,Colarusso, S.,Bianchi, E.,Andreini, M.,Patsilinakos, A.,Summa, V.,Pacifici, R.,Munoz-Sanjuan, I.,Park, L.,Bresciani, A.,Dominguez, C.,Toledo-Sherman, L.,Harper, S. (deposition date: 2019-08-30, release date: 2020-06-03) |
Primary citation | Ontoria, J.M.,Biancofiore, I.,Fezzardi, P.,Ferrigno, F.,Torrente, E.,Colarusso, S.,Bianchi, E.,Andreini, M.,Patsilinakos, A.,Kempf, G.,Augustin, M.,Steinbacher, S.,Summa, V.,Pacifici, R.,Munoz-Sanjuan, I.,Park, L.,Bresciani, A.,Dominguez, C.,Sherman, L.T.,Harper, S. Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction. Acs Med.Chem.Lett., 11:740-746, 2020 Cited by PubMed: 32435379DOI: 10.1021/acsmedchemlett.9b00594 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.57 Å) |
Structure validation
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