0000000000164034

AUTHOR

Thien Anh Le

showing 4 related works from this author

Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes

2018

Trypanosomal and leishmanial infections claim tens of thousands of lives each year. The metabolism of these unicellular eukaryotic parasites differs from the human host and their enzymes thus constitute promising drug targets. Tryparedoxin (Tpx) from Trypanosoma brucei is the essential oxidoreductase in the parasite's hydroperoxide-clearance cascade. In vitro and in vivo functional assays show that a small, selective inhibitor efficiently inhibits Tpx. With X-ray crystallography, SAXS, analytical SEC, SEC-MALS, MD simulations, ITC, and NMR spectroscopy, we show how covalent binding of this monofunctional inhibitor leads to Tpx dimerization. Intra- and intermolecular inhibitor-inhibitor, pro…

TrypanosomaProtein ConformationSpermidineDimerTrypanosoma brucei bruceiAntiprotozoal AgentsMolecular Dynamics SimulationTrypanosoma brucei010402 general chemistry01 natural sciencesCatalysischemistry.chemical_compoundThioredoxinsBacterial ProteinsIn vivoOxidoreductaseAnimalsHumansEnzyme Inhibitorschemistry.chemical_classificationbiology010405 organic chemistryHydrogen PeroxideGeneral ChemistryNuclear magnetic resonance spectroscopyLigand (biochemistry)biology.organism_classificationGlutathione0104 chemical sciencesEnzymechemistryBiochemistryDrug DesignChemically induced dimerizationProtein MultimerizationOxidoreductasesOxidation-ReductionProtein BindingAngewandte Chemie International Edition
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Inhibitor-induzierte Dimerisierung einer essentiellen Oxidoreduktase aus afrikanischen Trypanosomen

2019

General MedicineAngewandte Chemie
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CCDC 1981158: Experimental Crystal Structure Determination

2021

Related Article: Philipp Klein, Patrick Johè, Fabian Barthels, Annika Wagner, Stefan Tenzer, Ute Distler, Thien Anh Le, Bernd Engels, Ute A. Hellmich, Till Opatz, Tanja Schirmeister|2020|Molecules|25|2064|doi:10.3390/molecules25092064

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbenzyl N-(3-chloro-14-dioxo-14-dihydronaphthalen-2-yl)-L-phenylalanyl-L-leucinateExperimental 3D Coordinates
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CCDC 1862408: Experimental Crystal Structure Determination

2019

Related Article: Annika Wagner, Thien Anh Le, Martha Brennich, Philipp Klein, Nicole Bader, Erika Diehl, Daniel Paszek, A. Katharina Weickhmann, Natalie Dirdjaja, R. Luise Krauth-Siegel, Bernd Engels, Till Opatz, Hermann Schindelin, Ute A. Hellmich|2019|Angew.Chem.,Int.Ed.|58|3640|doi:10.1002/anie.201810470

Space GroupCrystallography2-(chloromethyl)-5-(4-fluorophenyl)thieno[23-d]pyrimidin-4(3H)-oneCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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