› 4mbl

X-ray diffraction
2.6Å resolution

Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors

Released:
DOI: 10.2210/pdb4mbl/pdb
PDB entry 4mbl coloured by chain, front view.
PDB entry 4mbl coloured by chain, side view.
PDB entry 4mbl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: a template-based approach.
Dwyer MP, Keertikar K, Paruch K, Alvarez C, Labroli M, Poker C, Fischmann TO, Mayer-Ezell R, Bond R, Wang Y, Azevedo R, Guzi TJ
Bioorg Med Chem Lett 23 6178-82 (2013)
PMID: 24091081

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-145753 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase pim-1 Chain: A
Molecule details ›
Chain: A
Length: 293 amino acids
Theoretical weight: 33.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P11309 (Residues: 29-313; Coverage: 91%)
Gene name: PIM1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 26L 1 x 26L
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P65
Unit cell:
a: 98.56Å b: 98.56Å c: 80.859Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.202 0.201 0.242
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

An insight on synthetic and medicinal aspects of pyrazolo[1,5-a]pyrimidine scaffold.
Cherukupalli et al. (2017)
1 more

2 mentions without citation

Identification of the first inhibitor of the GBP1:PIM1 interaction. Implications for the development of a new class of anticancer agents against paclitaxel resistant cancer cells.
Andreoli et al. (2014)
1 more