› 6anl

X-ray diffraction
2Å resolution

Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors

Released:
DOI: 10.2210/pdb6anl/pdb
PDB entry 6anl coloured by chain, front view.
PDB entry 6anl coloured by chain, side view.
PDB entry 6anl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Kaieda A, Takahashi M, Takai T, Goto M, Miyazaki T, Hori Y, Unno S, Kawamoto T, Tanaka T, Itono S, Takagi T, Hamada T, Shirasaki M, Okada K, Snell G, Bragstad K, Sang BC, Uchikawa O, Miwatashi S
Bioorg Med Chem 26 647-660 (2018)
PMID: 29291937

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-556911 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase 14 Chain: A
Molecule details ›
Chain: A
Length: 365 amino acids
Theoretical weight: 41.71 KDa
Source organism: Homo sapiens
Expression system: Baculovirus expression vector pFastBac1-HM
UniProt:
  • Canonical: Q16539 (Residues: 1-360; Coverage: 100%)
Gene names: CSBP, CSBP1, CSBP2, CSPB1, MAPK14, MXI2, SAPK2A
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand T75 1 x T75
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 69.954Å b: 69.703Å c: 74.294Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.206 0.263
Expression system: Baculovirus expression vector pFastBac1-HM

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Citations

3 citation in other articles

Imidazopyridazine Acetylcholinesterase Inhibitors Display Potent Anti-Proliferative Effects in the Human Neuroblastoma Cell-Line, IMR-32.
Sharma et al. (2021)
2 more