Conformational selection vs. induced fit : insights into the binding mechanisms of p38α MAP Kinase inhibitors

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dc.contributor.authorRoser, Patrick
dc.contributor.authorWeisner, Jörn
dc.contributor.authorStehle, Juliane
dc.contributor.authorRauh, Daniel
dc.contributor.authorDrescher, Malte
dc.date.accessioned2020-09-21T12:25:56Z
dc.date.available2020-09-21T12:25:56Z
dc.date.issued2020-08-04eng
dc.description.abstractThe conformational dynamics of a kinase's activation loop have been challenging to assess due to the activation loop's intrinsic flexibility. To directly probe the conformational equilibrium of the activation loop of mitogen-activated protein kinase p38α, we present an approach based on site-directed spin labeling, electron paramagnetic resonance (EPR) distance restraints, and multilateration. We demonstrate that the activation loop of apo p38α resides in a highly flexible equilibrium state and we reveal that binding of small molecules significantly alters this equilibrium and the populated sub-states.eng
dc.description.versionpublishedeng
dc.identifier.doi10.1039/d0cc02539aeng
dc.identifier.pmid32749403eng
dc.identifier.ppn1733616594
dc.identifier.urihttps://kops.uni-konstanz.de/handle/123456789/50925
dc.language.isoengeng
dc.rightsAttribution 3.0 Unported
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/
dc.subject.ddc540eng
dc.titleConformational selection vs. induced fit : insights into the binding mechanisms of p38α MAP Kinase inhibitorseng
dc.typeJOURNAL_ARTICLEeng
dspace.entity.typePublication
kops.citation.bibtex
@article{Roser2020-08-04Confo-50925,
  year={2020},
  doi={10.1039/d0cc02539a},
  title={Conformational selection vs. induced fit : insights into the binding mechanisms of p38α MAP Kinase inhibitors},
  number={62},
  volume={56},
  issn={1359-7345},
  journal={Chemical Communications},
  pages={8818--8821},
  author={Roser, Patrick and Weisner, Jörn and Stehle, Juliane and Rauh, Daniel and Drescher, Malte}
}
kops.citation.iso690ROSER, Patrick, Jörn WEISNER, Juliane STEHLE, Daniel RAUH, Malte DRESCHER, 2020. Conformational selection vs. induced fit : insights into the binding mechanisms of p38α MAP Kinase inhibitors. In: Chemical Communications. Royal Society of Chemistry (RSC). 2020, 56(62), pp. 8818-8821. ISSN 1359-7345. eISSN 1364-548X. Available under: doi: 10.1039/d0cc02539adeu
kops.citation.iso690ROSER, Patrick, Jörn WEISNER, Juliane STEHLE, Daniel RAUH, Malte DRESCHER, 2020. Conformational selection vs. induced fit : insights into the binding mechanisms of p38α MAP Kinase inhibitors. In: Chemical Communications. Royal Society of Chemistry (RSC). 2020, 56(62), pp. 8818-8821. ISSN 1359-7345. eISSN 1364-548X. Available under: doi: 10.1039/d0cc02539aeng
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kops.sourcefieldChemical Communications. Royal Society of Chemistry (RSC). 2020, <b>56</b>(62), pp. 8818-8821. ISSN 1359-7345. eISSN 1364-548X. Available under: doi: 10.1039/d0cc02539adeu
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kops.sourcefield.plainChemical Communications. Royal Society of Chemistry (RSC). 2020, 56(62), pp. 8818-8821. ISSN 1359-7345. eISSN 1364-548X. Available under: doi: 10.1039/d0cc02539aeng
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source.periodicalTitleChemical Communicationseng
source.publisherRoyal Society of Chemistry (RSC)eng

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