Mechanisms of Proteolytic Enzymes and Their Inhibition in QM/MM Studies
Elsässer, Brigitta, Goettig, Peter
Published in International journal of molecular sciences (22.03.2021)
Published in International journal of molecular sciences (22.03.2021)
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Journal Article
QM/MM Simulation (B3LYP) of the RNase A Cleavage-Transesterification Reaction Supports a Triester AN + DN Associative Mechanism with an O2′ H Internal Proton Transfer
Elsässer, Brigitta, Fels, Gregor, Weare, John H
Published in Journal of the American Chemical Society (22.01.2014)
Published in Journal of the American Chemical Society (22.01.2014)
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Journal Article
Distinct Roles of Catalytic Cysteine and Histidine in the Protease and Ligase Mechanisms of Human Legumain As Revealed by DFT-Based QM/MM Simulations
Elsässer, Brigitta, Zauner, Florian B, Messner, Johann, Soh, Wai Tuck, Dall, Elfriede, Brandstetter, Hans
Published in ACS catalysis (01.09.2017)
Published in ACS catalysis (01.09.2017)
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Journal Article
Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin
Debela, Mekdes, Magdolen, Viktor, Skala, Wolfgang, Elsässer, Brigitta, Schneider, Eric L, Craik, Charles S, Biniossek, Martin L, Schilling, Oliver, Bode, Wolfram, Brandstetter, Hans, Goettig, Peter
Published in Scientific reports (16.07.2018)
Published in Scientific reports (16.07.2018)
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Journal Article
Discovery of a Potent Inhibitor Class with High Selectivity toward Clostridial Collagenases
Schönauer, Esther, Kany, Andreas M, Haupenthal, Jörg, Hüsecken, Kristina, Hoppe, Isabel J, Voos, Katrin, Yahiaoui, Samir, Elsässer, Brigitta, Ducho, Christian, Brandstetter, Hans, Hartmann, Rolf W
Published in Journal of the American Chemical Society (13.09.2017)
Published in Journal of the American Chemical Society (13.09.2017)
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Journal Article
Atomistic Model for the Polyamide Formation from β-Lactam Catalyzed by Candida antarctica Lipase B
Baum, Iris, Elsässer, Brigitta, Schwab, Leendert W., Loos, Katja, Fels, Gregor
Published in ACS catalysis (01.04.2011)
Published in ACS catalysis (01.04.2011)
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Journal Article
Atomistic details of the associative phosphodiester cleavage in human ribonuclease H
ELSÄSSER, Brigitta, FELS, Gregor
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
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Journal Article
Endolysosomal Degradation of Allergenic Ole e 1-Like Proteins: Analysis of Proteolytic Cleavage Sites Revealing T Cell Epitope-Containing Peptides
Wildner, Sabrina, Elsässer, Brigitta, Stemeseder, Teresa, Briza, Peter, Soh, Wai Tuck, Villalba, Mayte, Lidholm, Jonas, Brandstetter, Hans, Gadermaier, Gabriele
Published in International journal of molecular sciences (16.08.2017)
Published in International journal of molecular sciences (16.08.2017)
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Journal Article
Bioactive Natural Products from the Endophytic Fungus Ascochyta sp. from Meliotus dentatus - Configurational Assignment by Solid-State CD and TDDFT Calculations
Krohn, Karsten, Kock, Ines, Elsässer, Brigitta, Flörke, Ulrich, Schulz, Barbara, Draeger, Siegfried, Pescitelli, Gennaro, Antus, Sándor, Kurtán, Tibor
Published in European Journal of Organic Chemistry (01.03.2007)
Published in European Journal of Organic Chemistry (01.03.2007)
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Book Review
Journal Article
X-ray Structure Determination, Absolute Configuration and Biological Activity of Phomoxanthone A
Elsässer, Brigitta, Krohn, Karsten, Flörke, Ulrich, Root, Natalia, Aust, Hans-Jürgen, Draeger, Siegfried, Schulz, Barbara, Antus, Sándor, Kurtán, Tibor
Published in European Journal of Organic Chemistry (01.11.2005)
Published in European Journal of Organic Chemistry (01.11.2005)
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Book Review
Journal Article
Structural analyses of Arabidopsis thaliana legumain γ reveal differential recognition and processing of proteolysis and ligation substrates
Zauner, Florian B., Elsässer, Brigitta, Dall, Elfriede, Cabrele, Chiara, Brandstetter, Hans
Published in The Journal of biological chemistry (08.06.2018)
Published in The Journal of biological chemistry (08.06.2018)
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Journal Article
Front Cover: Targeting of a Helix‐Loop‐Helix Transcriptional Regulator by a Short Helical Peptide (ChemMedChem 18/2017)
Roschger, Cornelia, Neukirchen, Saskia, Elsässer, Brigitta, Schubert, Mario, Maeding, Nicole, Verwanger, Thomas, Krammer, Barbara, Cabrele, Chiara
Published in ChemMedChem (21.09.2017)
Published in ChemMedChem (21.09.2017)
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Journal Article
Synthesis and Structure-activity Relationship of Antifungal Coniothyriomycin Analogues
KROHN, KARSTEN, ELSÄSSER, BRIGITTA, ANTUS, SÁNDOR, KÓNYA, KRISZTINA, AMMERMANN, EBERHARD
Published in Journal of antibiotics (01.03.2003)
Published in Journal of antibiotics (01.03.2003)
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Journal Article
QM/MM Simulation (B3LYP) of the RNase A Cleavage-Transesterification Reaction Supports a Triester A N + D N Associative Mechanism with an O2′ H Internal Proton Transfer
Elsässer, Brigitta, Fels, Gregor, Weare, John H.
Published in Journal of the American Chemical Society (22.01.2014)
Published in Journal of the American Chemical Society (22.01.2014)
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Journal Article