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PDBsum entry 3cdp

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protein ligands Protein-protein interface(s) links
Transcription PDB id
3cdp
Jmol
Contents
Protein chain
270 a.a. *
Ligands
YRG
Waters ×65
* Residue conservation analysis
PDB id:
3cdp
Name: Transcription
Title: Crystal structure of ppar-gamma lbd complexed with a partial analogue of clofibric acid
Structure: Peroxisome proliferator-activated receptor gamma. Chain: a, b. Fragment: ligand binding domain (lbd), unp residues 223-504 synonym: ppar-gamma, nuclear receptor subfamily 1 group c m engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
2.80Å     R-factor:   0.236     R-free:   0.298
Authors: G.Pochetti,R.Montanari,F.Mazza
Key ref: G.Fracchiolla et al. (2012). Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors α/γ dual agonists. Bioorg Med Chem, 20, 2141-2151. PubMed id: 22341573
Date:
27-Feb-08     Release date:   13-Jan-09    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P37231  (PPARG_HUMAN) -  Peroxisome proliferator-activated receptor gamma
Seq:
Struc:
505 a.a.
270 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     nucleus   1 term 
  Biological process     steroid hormone mediated signaling pathway   2 terms 
  Biochemical function     DNA binding     4 terms  

 

 
Bioorg Med Chem 20:2141-2151 (2012)
PubMed id: 22341573  
 
 
Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors α/γ dual agonists.
G.Fracchiolla, A.Laghezza, L.Piemontese, M.Parente, A.Lavecchia, G.Pochetti, R.Montanari, C.Di Giovanni, G.Carbonara, P.Tortorella, E.Novellino, F.Loiodice.
 
  ABSTRACT  
 
PPARs are transcription factors that govern lipid and glucose homeostasis and play a central role in cardiovascular disease, obesity, and diabetes. Thus, there is significant interest in developing new agonists for these receptors. Given that the introduction of fluorine generally has a profound effect on the physical and/or biological properties of the target molecule, we synthesized a series of fluorinated analogs of the previously reported compound 2, some of which turned out to be remarkable PPARα and PPARγ dual agonists. Docking experiments were also carried out to gain insight into the interactions of the most active derivatives with both receptors.