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TitleInhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Journal, issue, pagesAcs Chem. Biol., Vol. 11, Page 1952-1963, Year 2016
Publish dateJan 15, 2016 (structure data deposition date)
AuthorsWagner, F.F. / Bishop, J.A. / Gale, J.P. / Shi, X. / Walk, M. / Ketterman, J. / Patnaik, D. / Barker, D. / Walpita, D. / Campbell, A.J. ...Wagner, F.F. / Bishop, J.A. / Gale, J.P. / Shi, X. / Walk, M. / Ketterman, J. / Patnaik, D. / Barker, D. / Walpita, D. / Campbell, A.J. / Nguyen, S. / Lewis, M. / Ross, L. / Weiwer, M. / An, W.F. / Germain, A.R. / Nag, P.P. / Metkar, S. / Kaya, T. / Dandapani, S. / Olson, D.E. / Barbe, A.L. / Lazzaro, F. / Sacher, J.R. / Cheah, J.H. / Fei, D. / Perez, J. / Munoz, B. / Palmer, M. / Stegmaier, K. / Schreiber, S.L. / Scolnick, E. / Zhang, Y.L. / Haggarty, S.J. / Holson, E.B. / Pan, J.Q.
External linksAcs Chem. Biol. / PubMed:27128528
MethodsX-ray diffraction
Resolution2.45 - 3.1 Å
Structure data

PDB-5hln:
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-5hlp:
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-65C:
CHIR99021 / inhibitor*YM

ChemComp-MG:
Unknown entry

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-65A:
4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Protein kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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