› 8uv0

X-ray diffraction
1.55Å resolution

Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2

Released:
DOI: 10.2210/pdb8uv0/pdb
PDB entry 8uv0 coloured by chain, front view.
PDB entry 8uv0 coloured by chain, side view.
PDB entry 8uv0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
Hummel JR, Xiao KJ, Yang JC, Epling LB, Mukai K, Ye Q, Xu M, Qian D, Huo L, Weber M, Roman V, Lo Y, Drake K, Stump K, Covington M, Kapilashrami K, Zhang G, Ye M, Diamond S, Yeleswaram S, Macarron R, Deller MC, Wee S, Kim S, Wang X, Wu L, Yao W
J Med Chem (2024)
PMID: 38325398

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150313 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclin-dependent kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 297 amino acids
Theoretical weight: 33.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P24941 (Residues: 2-298; Coverage: 100%)
Gene names: CDK2, CDKN2
Sequence domains: Protein kinase domain

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX IV BEAMLINE BioMAX
Spacegroup: P212121
Unit cell:
a: 53.663Å b: 72.009Å c: 71.913Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.158 0.155 0.203
Expression system: Escherichia coli BL21(DE3)

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