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TitleElucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Journal, issue, pagesAcs Chem Neurosci, Vol. 14, Page 1080-1094, Year 2023
Publish dateNov 23, 2021 (structure data deposition date)
AuthorsAmaral, B. / Capacci, A. / Anderson, T. / Tezer, C. / Bajrami, B. / Lulla, M. / Lucas, B. / Chodaparambil, J.V. / Marcotte, D. / Kumar, P.R. ...Amaral, B. / Capacci, A. / Anderson, T. / Tezer, C. / Bajrami, B. / Lulla, M. / Lucas, B. / Chodaparambil, J.V. / Marcotte, D. / Kumar, P.R. / Murugan, P. / Spilker, K. / Cullivan, M. / Wang, T. / Peterson, A.C. / Enyedy, I. / Ma, B. / Chen, T. / Yousaf, Z. / Calhoun, M. / Golonzhka, O. / Dillon, G.M. / Koirala, S.
External linksAcs Chem Neurosci / PubMed:36812145
MethodsX-ray diffraction
Resolution1.85 - 2.4 Å
Structure data

PDB-7sxf:
BIO-2895 (BRD0705) bound GSK3alpha-axin complex
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-7sxg:
BIO-8546 bound GSK3alpha-axin complex
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-7sxh:
BIO-8546 bound GSK3beta-axin complex
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-7sxj:
BIO-2895 (BRD0705) bound GSK3beta-axin complex
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-6VL:
(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-D1E:
(4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol

Source
  • homo sapiens (human)
KeywordsHYDROLASE / kinase

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