› 1ywr

X-ray diffraction
1.95Å resolution

Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor

Released:
DOI: 10.2210/pdb1ywr/pdb
PDB entry 1ywr coloured by chain, front view.
PDB entry 1ywr coloured by chain, side view.
PDB entry 1ywr coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
The development of monocyclic pyrazolone based cytokine synthesis inhibitors.
Golebiowski A, Townes JA, Laufersweiler MJ, Brugel TA, Clark MP, Clark CM, Djung JF, Laughlin SK, Sabat MP, Bookland RG, VanRens JC, De B, Hsieh LC, Janusz MJ, Walter RL, Webster ME, Mekel MJ
Bioorg Med Chem Lett 15 2285-9 (2005)
PMID: 15837310

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155650 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 14 Chain: A
Molecule details ›
Chain: A
Length: 360 amino acids
Theoretical weight: 41.32 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P47811 (Residues: 1-360; Coverage: 100%)
Gene names: Crk1, Csbp1, Csbp2, Mapk14
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand LI9 1 x LI9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 65.736Å b: 74.575Å c: 77.377Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 not available not available
Expression system: Escherichia coli

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Citations

4 citation in other articles

Streocontrolled construction of six vicinal stereogenic centers on spiropyrazolones via organocascade Michael/Michael/1,2-addition reactions.
Chauhan et al. (2014)
3 more

14 mentions without citation

Pyrazolone structural motif in medicinal chemistry: Retrospect and prospect.
Zhao et al. (2020)
13 more