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Structure paper

TitleDual-Action Kinase Inhibitors Influence p38 alpha MAP Kinase Dephosphorylation.
Journal, issue, pagesBiorxiv, Year 2024
Publish dateJul 5, 2024 (structure data deposition date)
AuthorsStadnicki, E.J. / Ludewig, H. / Kumar, R.P. / Wang, X. / Qiao, Y. / Kern, D. / Bradshaw, N.
External linksBiorxiv / PubMed:39149408
MethodsX-ray diffraction
Resolution1.8 - 3.3 Å
Structure data

PDB-9cj1:
Dual phosphorylated human p38 alpha bound to nilotinib
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9cj2:
Dual phosphorylated human p38 alpha
Method: X-RAY DIFFRACTION / Resolution: 2.83 Å

PDB-9cj3:
Dual phosphorylated human p38 alpha bound to pexmetinib
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-9cj4:
Dual phosphorylated human p38 alpha bound to BIRB796
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9cj5:
Unphosphorylated human p38 alpha bound to pexmetinib
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-NIL:
Nilotinib / medication, anticancer*YM

ChemComp-HOH:
WATER

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-PDO:
1,3-PROPANDIOL

PDB-1awv:
CYPA COMPLEXED WITH HVGPIA

ChemComp-B96:
1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / MAPK14 / kinase / phosphorylated / inhibitor

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