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TitleARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Journal, issue, pagesEur. J. Med. Chem., Vol. 229, Page 114054-114054, Year 2022
Publish dateJun 23, 2021 (structure data deposition date)
AuthorsDemuro, S. / Sauvey, C. / Tripathi, S.K. / Di Martino, R.M.C. / Shi, D. / Ortega, J.A. / Russo, D. / Balboni, B. / Giabbai, B. / Storici, P. ...Demuro, S. / Sauvey, C. / Tripathi, S.K. / Di Martino, R.M.C. / Shi, D. / Ortega, J.A. / Russo, D. / Balboni, B. / Giabbai, B. / Storici, P. / Girotto, S. / Abagyan, R. / Cavalli, A.
External linksEur. J. Med. Chem. / PubMed:34959172
MethodsX-ray diffraction
Resolution2.38 - 2.57 Å
Structure data

PDB-7oy5:
Crystal structure of GSK3Beta in complex with ARN25068
Method: X-RAY DIFFRACTION / Resolution: 2.57 Å

PDB-7oy6:
Crystal structure of human DYRK1A in complex with ARN25068
Method: X-RAY DIFFRACTION / Resolution: 2.38 Å

Chemicals

ChemComp-39I:
~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Inhibitor / complex / GSK-3B

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