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Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2.
Marek M, Ramos-Morales E, Picchi-Constante GFA, Bayer T, Norström C, Herp D, Sales-Junior PA, Guerra-Slompo EP, Hausmann K, Chakrabarti A, Shaik TB, Merz A, Troesch E, Schmidtkunz K, Goldenberg S, Pierce RJ, Mourão MM, Jung M, Schultz J, Sippl W, Zanchin NIT, Romier C. Marek M, et al. Among authors: schmidtkunz k. Cell Rep. 2021 Dec 21;37(12):110129. doi: 10.1016/j.celrep.2021.110129. Cell Rep. 2021. PMID: 34936867 Free article.
Structural basis for the inhibition of histone deacetylase 8 (HDAC8), a key epigenetic player in the blood fluke Schistosoma mansoni.
Marek M, Kannan S, Hauser AT, Moraes Mourão M, Caby S, Cura V, Stolfa DA, Schmidtkunz K, Lancelot J, Andrade L, Renaud JP, Oliveira G, Sippl W, Jung M, Cavarelli J, Pierce RJ, Romier C. Marek M, et al. Among authors: schmidtkunz k. PLoS Pathog. 2013;9(9):e1003645. doi: 10.1371/journal.ppat.1003645. Epub 2013 Sep 26. PLoS Pathog. 2013. PMID: 24086136 Free PMC article.
4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Lucas X, Wohlwend D, Hügle M, Schmidtkunz K, Gerhardt S, Schüle R, Jung M, Einsle O, Günther S. Lucas X, et al. Among authors: schmidtkunz k. Angew Chem Int Ed Engl. 2013 Dec 23;52(52):14055-9. doi: 10.1002/anie.201307652. Epub 2013 Nov 24. Angew Chem Int Ed Engl. 2013. PMID: 24272870 No abstract available.
Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Rumpf T, Schiedel M, Karaman B, Roessler C, North BJ, Lehotzky A, Oláh J, Ladwein KI, Schmidtkunz K, Gajer M, Pannek M, Steegborn C, Sinclair DA, Gerhardt S, Ovádi J, Schutkowski M, Sippl W, Einsle O, Jung M. Rumpf T, et al. Among authors: schmidtkunz k. Nat Commun. 2015 Feb 12;6:6263. doi: 10.1038/ncomms7263. Nat Commun. 2015. PMID: 25672491 Free PMC article.
Tofacitinib and analogs as inhibitors of the histone kinase PRK1 (PKN1).
Ostrovskyi D, Rumpf T, Eib J, Lumbroso A, Slynko I, Klaeger S, Heinzlmeir S, Forster M, Gehringer M, Pfaffenrot E, Bauer SM, Schmidtkunz K, Wenzler S, Metzger E, Kuster B, Laufer S, Schüle R, Sippl W, Breit B, Jung M. Ostrovskyi D, et al. Among authors: schmidtkunz k. Future Med Chem. 2016 Sep;8(13):1537-51. doi: 10.4155/fmc-2016-0132. Epub 2016 Aug 30. Future Med Chem. 2016. PMID: 27572962
Structure-Activity Relationship of Propargylamine-Based HDAC Inhibitors.
Wünsch M, Senger J, Schultheisz P, Schwarzbich S, Schmidtkunz K, Michalek C, Klaß M, Goskowitz S, Borchert P, Praetorius L, Sippl W, Jung M, Sewald N. Wünsch M, et al. Among authors: schmidtkunz k. ChemMedChem. 2017 Dec 19;12(24):2044-2053. doi: 10.1002/cmdc.201700550. Epub 2017 Nov 30. ChemMedChem. 2017. PMID: 29120081
33 results