› 3oy1

X-ray diffraction
1.7Å resolution

Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties

Released:
DOI: 10.2210/pdb3oy1/pdb
PDB entry 3oy1 coloured by chain, front view.
PDB entry 3oy1 coloured by chain, side view.
PDB entry 3oy1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.
Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I
Bioorg Med Chem Lett 21 315-9 (2011)
PMID: 21112785

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-156874 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 10 Chain: A
Molecule details ›
Chain: A
Length: 362 amino acids
Theoretical weight: 41.8 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P53779 (Residues: 40-401; Coverage: 78%)
Gene names: JNK3, JNK3A, MAPK10, PRKM10, SAPK1B
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 589 1 x 589
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: Cu FINE FOCUS
Spacegroup: P212121
Unit cell:
a: 52.126Å b: 71.328Å c: 107.752Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.259 0.258 0.299
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Nuclear and cytosolic JNK signalling in neurons.
Coffey ET. (2014)
1 more

12 mentions without citation

c-Jun N-Terminal Kinase Inhibitors as Potential Leads for New Therapeutics for Alzheimer's Diseases.
Hepp Rehfeldt et al. (2020)
11 more