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Structure paper

TitleStructural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Journal, issue, pagesStructure, Vol. 22, Page 1161-1172, Year 2014
Publish dateMay 20, 2014 (structure data deposition date)
AuthorsCalabrese, M.F. / Rajamohan, F. / Harris, M.S. / Caspers, N.L. / Magyar, R. / Withka, J.M. / Wang, H. / Borzilleri, K.A. / Sahasrabudhe, P.V. / Hoth, L.R. ...Calabrese, M.F. / Rajamohan, F. / Harris, M.S. / Caspers, N.L. / Magyar, R. / Withka, J.M. / Wang, H. / Borzilleri, K.A. / Sahasrabudhe, P.V. / Hoth, L.R. / Geoghegan, K.F. / Han, S. / Brown, J. / Subashi, T.A. / Reyes, A.R. / Frisbie, R.K. / Ward, J. / Miller, R.A. / Landro, J.A. / Londregan, A.T. / Carpino, P.A. / Cabral, S. / Smith, A.C. / Conn, E.L. / Cameron, K.O. / Qiu, X. / Kurumbail, R.G.
External linksStructure / PubMed:25066137
MethodsX-ray diffraction
Resolution3.34 - 3.55 Å
Structure data

PDB-4qfg:
Structure of AMPK in complex with STAUROSPORINE inhibitor and in the absence of a synthetic activator
Method: X-RAY DIFFRACTION / Resolution: 3.46 Å

PDB-4qfr:
Structure of AMPK in complex with Cl-A769662 activator and STAUROSPORINE inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.34 Å

PDB-4qfs:
Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.55 Å

Chemicals

ChemComp-STU:
STAUROSPORINE / anticancer, antifungal, antibiotic, alkaloid*YM

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-32J:
2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-32H:
2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile

Source
  • rattus norvegicus (Norway rat)
Keywordssignaling protein/inhibitor / CBM / Kinase / AMPK / signaling protein-inhibitor complex / signaling protein/inhibitor/activator / signaling protein-inhibitor-activator complex

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