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The Mechanism of Allosteric Coupling in Choline Kinase α1 Revealed by the Action of a Rationally Designed Inhibitor†

  1. María Sahún-Roncero1,
  2. Dr. Belén Rubio-Ruiz2,
  3. Dr. Giorgio Saladino3,4,
  4. Dr. Ana Conejo-García2,
  5. Prof. Antonio Espinosa2,
  6. Dr. Adrián Velázquez-Campoy1,
  7. Dr. Francesco Luigi Gervasio3,4,‡,
  8. Prof. Antonio Entrena2,‡,
  9. Dr. Ramon Hurtado-Guerrero1,*

Article first published online: 25 FEB 2013

DOI: 10.1002/ange.201209660

Issue

Angewandte Chemie

Angewandte Chemie

Volume 125, Issue 17, pages 4680–4684, April 22, 2013

Additional Information

How to Cite

Sahún-Roncero, M., Rubio-Ruiz, B., Saladino, G., Conejo-García, A., Espinosa, A., Velázquez-Campoy, A., Gervasio, F. L., Entrena, A. and Hurtado-Guerrero, R. (2013), The Mechanism of Allosteric Coupling in Choline Kinase α1 Revealed by the Action of a Rationally Designed Inhibitor . Angew. Chem., 125: 4680–4684. doi: 10.1002/ange.201209660

Author Information

  1. 1

    Institute of Biocomputation and Physics of Complex Systems (BIFI), University of Zaragoza, BIFI-IQFR (CSIC) Joint Unit, Mariano Esquillor s/n, Campus Rio Ebro, Edificio I+D; Fundacion ARAID, Edificio Pignatelli 36 (Spain)

  2. 2

    Departamento de Química Farmaceútica y Orgánica, Facultad de Farmacia, Universidad de Granada c/Campus de Cartuja s/n, Granada (Spain)

  3. 3

    Computational Biophysics group, Spanish National Cancer Research Center, Melchor Fernández Almagro, 3, Madrid (Spain)

  4. 4

    Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (UK)

  1. ‡

    These authors contributed equally.

*Institute of Biocomputation and Physics of Complex Systems (BIFI), University of Zaragoza, BIFI-IQFR (CSIC) Joint Unit, Mariano Esquillor s/n, Campus Rio Ebro, Edificio I+D; Fundacion ARAID, Edificio Pignatelli 36 (Spain)

  1. †

    We thank the European Synchrotron Radiation Facility (ESRF) at Grenoble and the Diamond Light Source (DLS) at Oxford, specifically beamlines ID23-1 and I03, respectively. We thank the Fundación Agencia Aragonesa para la Investigación y el Desarrollo (ARAID, Spain), the Ministerio de Economía y Competitividad (MEC, Spain, grants BFU2010-19504, BFU2010-19451, SAF2009-11955, and BIO2010-20166), the Consejería de Innovación, Ciencia y Empresa of the Junta de Andalucía (grant P07-CTS-03210), the Ministerio de Educación for a FPU fellowship (AP2007-03115) to B.R.-R., and Diputación General de Aragón (Grupo Protein Targets, B89) and the Comunidad Autónoma de Madrid S2010-BMD-2457 (BIPEDD2). This work was granted access to the HPC resources of HECToR, within the Distributed European Computing Initiative (FP7/2007-2013, RI-283493).

  2. ‡

    These authors contributed equally.

Publication History

  1. Issue published online: 18 APR 2013
  2. Article first published online: 25 FEB 2013
  3. Manuscript Revised: 16 JAN 2013
  4. Manuscript Received: 3 DEC 2012

Funded by

  • Fundación Agencia Aragonesa para la Investigación y el Desarrollo
  • Ministerio de Economía y Competitividad. Grant Numbers: BFU2010-19504, BFU2010-19451, SAF2009-11955, BIO2010-20166
  • Consejería de Innovación
  • Ciencia y Empresa of the Junta de Andalucía. Grant Number: P07-CTS-03210
  • Ministerio de Educación. Grant Number: AP2007-03115
  • Diputación General de Aragón
  • Comunidad Autónoma de Madrid. Grant Number: BIPEDD2
  • Distributed European Computing Initiative. Grant Numbers: FP7/2007-2013, RI-283493

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