› 4y5h

X-ray diffraction
2.06Å resolution

Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors

Released:
DOI: 10.2210/pdb4y5h/pdb
PDB entry 4y5h coloured by chain, front view.
PDB entry 4y5h coloured by chain, side view.
PDB entry 4y5h coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Zheng K, Park CM, Iqbal S, Hernandez P, Park H, LoGrasso PV, Feng Y
ACS Med Chem Lett 6 413-8 (2015)
PMID: 25893042

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-547210 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 10 Chain: A
Molecule details ›
Chain: A
Length: 366 amino acids
Theoretical weight: 42.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P53779 (Residues: 39-402; Coverage: 78%)
Gene names: JNK3, JNK3A, MAPK10, PRKM10, SAPK1B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 519 1 x 519
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P212121
Unit cell:
a: 53.708Å b: 71.813Å c: 107.802Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.236 0.285
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Selective inhibitors for JNK signalling: a potential targeted therapy in cancer.
Wu et al. (2020)
4 other articles

3 mentions without citation

C-Jun N-terminal kinase inhibitors: Structural insight into kinase-inhibitor complexes.
Duong et al. (2020)
2 more