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Structure paper

TitleIdentification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays.
Journal, issue, pagesInt J Mol Sci, Vol. 23, Year 2022
Publish dateFeb 25, 2022 (structure data deposition date)
AuthorsBalboni, B. / Tripathi, S.K. / Veronesi, M. / Russo, D. / Penna, I. / Giabbai, B. / Bandiera, T. / Storici, P. / Girotto, S. / Cavalli, A.
External linksInt J Mol Sci / PubMed:35409221
MethodsX-ray diffraction
Resolution2.21 - 2.75 Å
Structure data

PDB-7u2z:
Crystal structure of human GSK3B in complex with G12
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-7u31:
Crystal structure of human GSK3B in complex with G5
Method: X-RAY DIFFRACTION / Resolution: 2.38 Å

PDB-7u33:
Crystal structure of human GSK3B in complex with ARN9133
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-7u36:
Crystal structure of human GSK3B in complex with ARN1484
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

ChemComp-L7C:
(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-L7I:
5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine

ChemComp-L7R:
3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide

ChemComp-L7W:
(3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE Inhibitor / Inhibitor / Complex / TRANSFERASE / TRANSFERASE-TRANSFERASE Inhibitor complex

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