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Structure paper

TitleUnanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Journal, issue, pagesElife, Year 2024
Publish dateMay 8, 2024 (structure data deposition date)
AuthorsShang, J. / Kojetin, D.J.
External linksElife / Search PubMed
MethodsX-ray diffraction
Resolution2.48 - 3.2 Å
Structure data

PDB-8zfn:
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and BVT.13
Method: X-RAY DIFFRACTION / Resolution: 2.54 Å

PDB-8zfo:
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and nTZDpa
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

PDB-8zfp:
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and MRL24
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

PDB-8zfq:
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and BVT.13
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-8zfr:
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and nTZDpa
Method: X-RAY DIFFRACTION / Resolution: 2.73 Å

PDB-8zfs:
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and MRL24
Method: X-RAY DIFFRACTION / Resolution: 2.56 Å

PDB-8zft:
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and SR1664
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-GW9:
2-chloro-5-nitro-N-phenylbenzamide

ChemComp-PLB:
2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID

ChemComp-HOH:
WATER

ChemComp-NZA:
5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID

ChemComp-241:
(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID

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

ChemComp-3JX:
4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Nuclear receptors / TZDs / Drug design / Therapeutic targets

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