› 2j14

X-ray diffraction
2.8Å resolution

3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2

Released:
DOI: 10.2210/pdb2j14/pdb
PDB entry 2j14 coloured by chain, front view.
PDB entry 2j14 coloured by chain, side view.
PDB entry 2j14 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
3,4,5-Trisubstituted isoxazoles as novel PPARdelta agonists. Part 2.
Epple R, Azimioara M, Russo R, Xie Y, Wang X, Cow C, Wityak J, Karanewsky D, Bursulaya B, Kreusch A, Tuntland T, Gerken A, Iskandar M, Saez E, Martin Seidel H, Tian SS
Bioorg Med Chem Lett 16 5488-92 (2006)
PMID: 16931011

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169863 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor delta Chains: A, B
Molecule details ›
Chains: A, B
Length: 285 amino acids
Theoretical weight: 32.68 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q03181 (Residues: 163-441; Coverage: 63%)
Gene names: NR1C2, PPARB, PPARD
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand GNI 2 x GNI
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P21
Unit cell:
a: 39.376Å b: 93.39Å c: 92.258Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.224 0.284
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Role of Pleiotropic Properties of Peroxisome Proliferator-Activated Receptors in the Heart: Focus on the Nonmetabolic Effects in Cardiac Protection.
Barlaka et al. (2016)
1 more

5 mentions without citation

Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles.
Park et al. (2010)
4 more