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; PubMed: 32435379; DOI: 10.1021/acsmedchemlett.9b00594

Experimental method

X-RAY DIFFRACTION (2.57 Å)