{ "dc.contributor.author": "Curado-Carballada, Christian" , "dc.contributor.author": "Feixas Geronès, Ferran" , "dc.contributor.author": "Iglesias-Fernández, Javier" , "dc.contributor.author": "Osuna Oliveras, Sílvia" , "dc.date.accessioned": "2019-03-22T12:46:54Z" , "dc.date.available": "2019-03-22T12:46:54Z" , "dc.date.issued": "2019-03-04" , "dc.identifier.issn": "1433-7851 (versió paper)" , "dc.identifier.issn": "1521-3773 (versió electrònica)" , "dc.identifier.uri": "http://hdl.handle.net/10256/16387" , "dc.description": "Aquest mateix article està publicat a l'edició alemanya d''Angewandte Chemie' (ISSN 0044-8249, EISSN 1521-3757), 2004, vol.131, núm. 10, Special Issue: Frauen in der Chemie, p. 3129-3133. DOI https://doi.org/10.1002/ange.201812532" , "dc.description.abstract": "Enzymes exist as an ensemble of conformational states, whose populations can be shifted by substrate binding, allosteric interactions, but also by introducing mutations to their sequence. Tuning the populations of the enzyme conformational states through mutation enables evolution towards novel activity. Herein, Markov state models are used to unveil hidden conformational states of monoamine oxidase from Aspergillus niger (MAO-N). These hidden conformations, not previously observed by any other technique, play a crucial role in substrate binding and enzyme activity. This reveals how distal mutations regulate MAO-N activity by stabilizing these hidden, catalytically important conformational states, but also by modulating the communication pathway between both MAO-N subunits" , "dc.format.mimetype": "application/pdf" , "dc.language.iso": "eng" , "dc.publisher": "Wiley" , "dc.relation.isformatof": "Versió postprint del document publicat a: https://doi.org/10.1002/anie.201812532" , "dc.relation.ispartof": "© Angewandte Chemie International Edition, 2019, vol. 58, núm. 10, p. 3097-3101" , "dc.relation.ispartofseries": "Articles publicats (D-Q)" , "dc.rights": "Tots els drets reservats" , "dc.subject": "Catàlisi homogènia" , "dc.subject": "Homogeneous catalysis" , "dc.subject": "Dinàmica molecular" , "dc.subject": "Molecular dynamics" , "dc.subject": "Enzims" , "dc.subject": "Enzymes" , "dc.title": "Hidden Conformations in Aspergillus niger Monoamine Oxidase are Key for Catalytic Efficiency" , "dc.type": "info:eu-repo/semantics/article" , "dc.rights.accessRights": "info:eu-repo/semantics/openAccess" , "dc.date.embargoEndDate": "2020-03-04" , "dc.type.version": "info:eu-repo/semantics/acceptedVersion" , "dc.identifier.doi": "https://doi.org/10.1002/anie.201812532" , "dc.identifier.idgrec": "029230" , "dc.type.peerreviewed": "peer-reviewed" }