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Structure paper

TitleLeucettinibs, a Class of DYRK/CLK Kinase Inhibitors Inspired by the Marine Sponge Natural Product Leucettamine B.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 10694-10714, Year 2023
Publish dateMay 9, 2023 (structure data deposition date)
AuthorsDeau, E. / Lindberg, M.F. / Miege, F. / Roche, D. / George, N. / George, P. / Kramer, A. / Knapp, S. / Meijer, L.
External linksJ. Med. Chem. / PubMed:37487467
MethodsX-ray diffraction
Resolution2.45 - 2.6 Å
Structure data

PDB-8p04:
Crystal structure of human CLK1 in complex with Leucettinib-92
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-8p05:
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with Leucettinib-92
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-WAK:
(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase / Typ1 inhibitor / CLK1 / Leicettinib / CK2a / CSNK2A1 / Inhibitor / Leucettinib

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