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TitleFunctional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Journal, issue, pagesAntioxidants, Vol. 12, Year 2023
Publish dateDec 24, 2022 (structure data deposition date)
AuthorsKamata, S. / Honda, A. / Ishikawa, R. / Akahane, M. / Fujita, A. / Kaneko, C. / Miyawaki, S. / Habu, Y. / Shiiyama, Y. / Uchii, K. ...Kamata, S. / Honda, A. / Ishikawa, R. / Akahane, M. / Fujita, A. / Kaneko, C. / Miyawaki, S. / Habu, Y. / Shiiyama, Y. / Uchii, K. / Machida, Y. / Oyama, T. / Ishii, I.
External linksAntioxidants / PubMed:37627519
MethodsX-ray diffraction
Resolution1.65 - 2.981 Å
Structure data

PDB-8huk:
X-ray structure of human PPAR alpha ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 2.981 Å

PDB-8hul:
X-ray structure of human PPAR delta ligand binding domain-lanifibranor co-crystals obtained by co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 2.461 Å

PDB-8hum:
X-ray structure of human PPAR gamma ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

PDB-8hun:
X-ray structure of human PPAR alpha ligand binding domain-seladelpar co-crystals obtained by cross-seeding
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-8huo:
X-ray structure of human PPAR delta ligand binding domain-seladelpar co-crystals obtained by co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 2.671 Å

PDB-8hup:
X-ray structure of human PPAR gamma ligand binding domain-seladelpar-SRC1 coactivator peptide co-crystals obtained by co-crystallization
Method: X-RAY DIFFRACTION / Resolution: 2.36 Å

PDB-8huq:
X-ray structure of human PPAR alpha ligand binding domain-elafibranor-SRC1 coactivator peptide co-crystals obtained by soaking
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-BJB:
4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-KKB:
Seladelpar

ChemComp-MUO:
2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Nuclear receptor / Protein-ligand complex / PPAR

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