4W9X: Crystal Structure of BMP-2-inducible kinase in complex with baricitinib

Citation:
Abstract
The highly diverse Numb-associated kinase (NAK) family has been linked to broad cellular functions including receptor-mediated endocytosis, Notch pathway modulation, osteoblast differentiation, and dendrite morphogenesis. Consequently, NAK kinases play a key role in a diverse range of diseases from Parkinson's and prostate cancer to HIV. Due to the plasticity of this kinase family, NAK kinases are often inhibited by approved or investigational drugs and have been associated with side effects, but they are also potential drug targets. The presence of cysteine residues in some NAK family members provides the possibility for selective targeting via covalent inhibition. Here we report the first high-resolution structures of kinases AAK1 and BIKE in complex with two drug candidates. The presented data allow a comprehensive structural characterization of the NAK kinase family and provide the basis for rational design of selective NAK inhibitors.
PDB ID: 4W9XDownload
MMDB ID: 123145
PDB Deposition Date: 2014/8/28
Updated in MMDB: 2014/09
Experimental Method:
x-ray diffraction
Resolution: 2.14  Å
Source Organism:
Similar Structures:
Biological Unit for 4W9X: monomeric; determined by author and by software (PISA)
Molecular Components in 4W9X
Label Count Molecule
Protein (1 molecule)
1
Bmp-2-inducible Protein Kinase(Gene symbol: BMP2K)
Molecule annotation
Chemicals (3 molecules)
1
2
2
1
* Click molecule labels to explore molecular sequence information.

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