8XGK
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors
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Summary for 8XGK
Entry DOI | 10.2210/pdb8xgk/pdb |
Descriptor | Kelch-like ECH-associated protein 1, (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, ... (5 entities in total) |
Functional Keywords | chronic kidney disease (ckd), keap1, nrf2, non-covalent inhibitor, peptide binding protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 35922.44 |
Authors | Otake, K.,Hara, Y.,Ubukata, M.,Inoue, M.,Nagahashi, N.,Motoda, D.,Ogawa, N.,Hantani, Y.,Hantani, R.,Adachi, T.,Nomura, A.,Yamaguchi, K.,Maekawa, M.,Mamada, H.,Motomura, T.,Sato, M.,Harada, K. (deposition date: 2023-12-15, release date: 2024-05-22) |
Primary citation | Otake, K.,Hara, Y.,Ubukata, M.,Inoue, M.,Nagahashi, N.,Motoda, D.,Ogawa, N.,Hantani, Y.,Hantani, R.,Adachi, T.,Nomura, A.,Yamaguchi, K.,Maekawa, M.,Mamada, H.,Motomura, T.,Sato, M.,Harada, K. Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67:3741-3763, 2024 Cited by PubMed: 38408347DOI: 10.1021/acs.jmedchem.3c02171 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.32 Å) |
Structure validation
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