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| Título: | The mechanism of allosteric coupling in choline kinase α1 revealed by the action of a rationally designed inhibitor |
Autor: | Sahún-Roncero, M.; Rubio-Ruiz, B.; Saladino, Giorgio; Conejo-García, A.; Espinosa, Antonio; Velázquez-Campoy, Adrián; Gervasio, Francesco Luigi; Entrena, Antonio; Hurtado-Guerrero, Ramón CSIC ORCID | Palabras clave: | Allosteric mechanisms Choline kinase a1 Elastic network analysis Molecular dynamics X-ray diffraction |
Fecha de publicación: | 9-abr-2013 | Editor: | John Wiley & Sons | Citación: | Angewandte Chemie - International Edition 52: 4582-4586 (2013) | Resumen: | Applying a CHOK hold: Combined experimental and computational studies of the binding mode of a rationally designed inhibitor of the dimeric choline kinase α1 (CHOKα1) explain the molecular mechanism of negative cooperativity (see scheme) and how the monomers are connected. The results give insight into how the symmetry of the dimer can be partially conserved despite a lack of conservation in the static crystal structures. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. | Descripción: | 5 pags, 4 pags. -- Supporting information for this article (experimental details) is available on the WWW under http://dx.doi.org/10.1002/anie.201209660. | Versión del editor: | http://dx.doi.org/10.1002/anie.201209660 | URI: | http://hdl.handle.net/10261/253467 | DOI: | 10.1002/anie.201209660 | Identificadores: | doi: 10.1002/anie.201209660 issn: 1433-7851 |
| Aparece en las colecciones: | (IQF) Artículos |
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| Choline_kinase.pdf | 1,03 MB | Adobe PDF |  Visualizar/Abrir |
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