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TitleOptimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 3741-3763, Year 2024
Publish dateDec 15, 2023 (structure data deposition date)
AuthorsOtake, K. / Hara, Y. / Ubukata, M. / Inoue, M. / Nagahashi, N. / Motoda, D. / Ogawa, N. / Hantani, Y. / Hantani, R. / Adachi, T. ...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.
External linksJ. Med. Chem. / PubMed:38408347
MethodsX-ray diffraction
Resolution1.32 - 1.42 Å
Structure data

PDB-8xgk:
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

PDB-8xgv:
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

Chemicals

PDB-1lvb:
CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE

ChemComp-ACT:
ACETATE ION

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

PDB-1lvc:
Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin and 2' deoxy, 3' anthraniloyl ATP

Source
  • homo sapiens (human)
KeywordsPEPTIDE BINDING PROTEIN / chronic kidney disease (CKD) / Keap1 / Nrf2 / non-covalent inhibitor

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