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Structure paper

TitleUnanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Journal, issue, pagesElife, Vol. 13, Year 2024
Publish dateMay 8, 2024 (structure data deposition date)
AuthorsShang, J. / Kojetin, D.J.
External linksElife / PubMed:39556436
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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