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Structure paper

TitleAbemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Journal, issue, pagesNat Commun, Vol. 12, Page 6607-6607, Year 2021
Publish dateApr 13, 2021 (structure data deposition date)
AuthorsKaltheuner, I.H. / Anand, K. / Moecking, J. / Duster, R. / Wang, J. / Gray, N.S. / Geyer, M.
External linksNat Commun / PubMed:34785661
MethodsX-ray diffraction
Resolution1.82 - 2.81 Å
Structure data

PDB-7o7i:
Crystal structure of the human HIPK3 kinase domain
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-7o7j:
Crystal structure of the human HIPK3 kinase domain bound to abemaciclib
Method: X-RAY DIFFRACTION / Resolution: 2.81 Å

PDB-7o7k:
Crystal structure of the human DYRK1A kinase domain bound to abemaciclib
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-6ZV:
N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py / medication, inhibitor*YM

ChemComp-FLC:
CITRATE ANION

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-LI:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / serine/threonine kinase / CMGC kinase / transcription / homeodomain-interacting protein kinase / homeodomain-interacting protein kinase 3 / abemaciclib / dual specificity tyrosine-phosphorylation-regulated kinase 1A / DYRK1A

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