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PDBsum entry 3fei

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protein ligands links
Transcription PDB id
3fei
Jmol PyMol
Contents
Protein chain
246 a.a. *
Ligands
HIS-GLN-LEU-LEU-
ARG-TYR-LEU-LEU
CTM
Waters ×141
* Residue conservation analysis
PDB id:
3fei
Name: Transcription
Title: Design and biological evaluation of novel, balanced dual ppara/g agonists
Structure: Peroxisome proliferator-activated receptor alpha. Chain: a. Fragment: pparalpha ligand binding domain. Synonym: ppar-alpha, nuclear receptor subfamily 1 group c member 1. Engineered: yes. Peptide motif 5 of nuclear receptor coactivator 1. Chain: z.
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: ppara, nr1c1, ppar. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes. Other_details: chemically synthesis
Resolution:
2.40Å     R-factor:   0.219     R-free:   0.260
Authors: J.Benz,U.Grether,B.Gsell,A.Binggeli,H.Hilpert,H.P.Maerki, P.Mohr,A.Ruf,M.Stihle,D.Schlatter
Key ref: U.Grether et al. (2009). Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists. ChemMedChem, 4, 951-956. PubMed id: 19326383
Date:
30-Nov-08     Release date:   20-Oct-09    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q07869  (PPARA_HUMAN) -  Peroxisome proliferator-activated receptor alpha
Seq:
Struc:
468 a.a.
246 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     3 terms  

 

 
ChemMedChem 4:951-956 (2009)
PubMed id: 19326383  
 
 
Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists.
U.Grether, A.Bénardeau, J.Benz, A.Binggeli, D.Blum, H.Hilpert, B.Kuhn, H.P.Märki, M.Meyer, P.Mohr, K.Püntener, S.Raab, A.Ruf, D.Schlatter.
 
  ABSTRACT  
 
An X-ray-guided design approach led to the identification of a novel, balanced class of alpha-ethoxy-phenylpropionic acid-derived dual PPARalpha/gamma agonists. The series shows a wide range of PPARalpha/gamma ratios within a rather narrow structural space. Advanced compounds possess favorable physicochemical and pharmacokinetic profiles and show a high efficacy in T2D and dyslipidemia animal models.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
20345171 C.Bissantz, B.Kuhn, and M.Stahl (2010).
A medicinal chemist's guide to molecular interactions.
  J Med Chem, 53, 5061-5084.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.

 

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