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Structure paper

TitleBiochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
Journal, issue, pagesJ. Biol. Chem., Vol. 298, Page 102539-102539, Year 2022
Publish dateJul 5, 2022 (structure data deposition date)
AuthorsIrwin, S. / Karr, C. / Furman, C. / Tsai, J. / Gee, P. / Banka, D. / Wibowo, A.S. / Dementiev, A.A. / O'Shea, M. / Yang, J. ...Irwin, S. / Karr, C. / Furman, C. / Tsai, J. / Gee, P. / Banka, D. / Wibowo, A.S. / Dementiev, A.A. / O'Shea, M. / Yang, J. / Lowe, J. / Mitchell, L. / Ruppel, S. / Fekkes, P. / Zhu, P. / Korpal, M. / Larsen, N.A.
External linksJ. Biol. Chem. / PubMed:36179791
MethodsX-ray diffraction
Resolution1.59 - 2.95 Å
Structure data

PDB-8dkn:
PPARg bound to T0070907 and Co-R peptide
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-8dkv:
PPARg bound to JTP-426467 and Co-R peptide
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-8dsy:
PPARg bound to inverse agonist H3B-343
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

PDB-8dsz:
PPARg bound to partial agonist H3B-487
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-EEY:
2-chloro-5-nitro-N-(pyridin-4-yl)benzamide

ChemComp-CXS:
3-CYCLOHEXYL-1-PROPYLSULFONIC ACID / pH buffer*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-SKL:
2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide

ChemComp-TJC:
{5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid

ChemComp-TJO:
(2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid

Source
  • homo sapiens (human)
KeywordsNUCLEAR PROTEIN / PPARg / inverse agonist / covalent / T007 / JTP-426467 / H3B-343 / partial agonist / H3B-487

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