7Q6Q
Keap1 compound complex
Summary for 7Q6Q
Entry DOI | 10.2210/pdb7q6q/pdb |
Descriptor | Kelch-like ECH-associated protein 1, (5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide, SODIUM ION, ... (5 entities in total) |
Functional Keywords | macrocycle complex, structural protein |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 64808.27 |
Authors | Johansson, P. (deposition date: 2021-11-09, release date: 2022-03-16, Last modification date: 2024-01-31) |
Primary citation | Begnini, F.,Geschwindner, S.,Johansson, P.,Wissler, L.,Lewis, R.J.,Danelius, E.,Luttens, A.,Matricon, P.,Carlsson, J.,Lenders, S.,Konig, B.,Friedel, A.,Sjo, P.,Schiesser, S.,Kihlberg, J. Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65:3473-3517, 2022 Cited by PubMed: 35108001DOI: 10.1021/acs.jmedchem.1c01975 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.55 Å) |
Structure validation
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