Bernd Rupp
Leibniz Institute for Neurobiology
10 Papers
157 Citations
Bernd Rupp is an academic researcher from Leibniz Institute for Neurobiology. The author has contributed to research in topics: Major histocompatibility complex & CD74. The author has an hindex of 7, co-authored 10 publications. Previous affiliations of Bernd Rupp include Leibniz Association.
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Papers
Design of chemical libraries with potentially bioactive molecules applying a maximum common substructure concept
Michael Lisurek,Bernd Rupp,Jörg D. Wichard,Martin Neuenschwander,Jens Peter von Kries,Ronald Frank,Jörg Rademann,Jörg Rademann,Ronald Kühne +8 more
TL;DR: Diversity and chemical space coverage of the collection indicate that it is highly diverse and well-placed in the chemical space spanned by bioactive compounds, and secondary assay-validated hits presented in this study show the practical relevance of the library design strategy.
Anchor side chains of short peptide fragments trigger ligand-exchange of class II MHC molecules.
Shashank Gupta,Sabine Höpner,Bernd Rupp,Sebastian Günther,Katharina Dickhaut,Katharina Dickhaut,Noopur Agarwal,M. Cristina Cardoso,Ronald Kühne,Karl-Heinz Wiesmüller,Günther Jung,Kirsten Falk,Olaf Rötzschke +12 more
TL;DR: Molecular dynamic calculations support the hypothesis that occupation of P1 prevents the ‘closure’ of the empty peptide binding site into the non-receptive state, and P1 may therefore function as important “sensor” for peptide-load.
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Design of a general-purpose European compound screening library for EU-OPENSCREEN
Dragos Horvath,Michael Lisurek,Bernd Rupp,Ronald Kühne,Edgar Specker,Jens Peter von Kries,Didier Rognan,C. David Andersson,Fredrik Almqvist,Mikael Elofsson,Per-Anders Enqvist,Anna-Lena Gustavsson,Nikita Remez,Jordi Mestres,Gilles Marcou,A. Varnek,Marcel Hibert,Jordi Quintana,Ronald Frank +18 more
TL;DR: The final EU‐OPENSCREEN library, assembled by merging five independent selections of 40K compounds from various expert groups, represents an excellent example of a Europe‐wide collaborative effort toward the common objective of building best‐in‐class European open screening platforms.
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Chemoenzymatic synthesis of a glycolipid library and elucidation of the antigenic epitope for construction of a vaccine against Lyme disease.
Gunthard Stübs,Gunthard Stübs,Bernd Rupp,Ralf R. Schumann,Nicolas W.J. Schröder,Jörg Rademann,Jörg Rademann +6 more
TL;DR: It is demonstrated that galactose, cholesterol, and a fatty acid with a minimal chain length of four carbon atoms comprises the essential structure for recognition by antibodies.
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Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
Jude Chenge,Le Van Duyet,Shalini Swami,Kirsty J. McLean,Madeline E. Kavanagh,Anthony G. Coyne,Stephen E. J. Rigby,Myles R. Cheesman,Hazel M. Girvan,Colin Levy,Bernd Rupp,Jens Peter von Kries,Chris Abell,David Leys,Andrew W. Munro +14 more
TL;DR: The relatively polar active site of CYP126A1 distinguishes it from its most closely related sterol-binding P450s in M. tuberculosis, suggesting that further investigations will reveal its diverse substrate selectivity.
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