Short Description
Nuclear resonance spectrometer for applications of chemical structure elucidation, including small molecules and modern biological applications such as protein structure elucidation, protein interactions, of the analysis of post-translational modifications. The system consists of a superconducting magnet (14 Tesla), 1H/13C/15N/31P quadrupole probe head, sample changer for 24 samples, console (frequency generation, amplifier, lock, gradient unit), Temperature unit (-15 to 60 ° C), Linux Workstation, Ultra stabilized power supply (UPS for 11 min). The system can automatically measure sequentially up to 24 samples (typical for the elucidation of the chemical structure of small molecules) or highly complex experiments for the protein signal assignment and protein structure elucidation, extending over several days or weeks.
Contact Person
Univ.-Prof. Dr. Hans Brandstetter
Research Services
Preliminary experiments for biomolecules (e.g., "fingerprint" 1H-15N two-dimensional protein spectrum) to determine whether a protein is suitable for NMR binding studies and / or three-dimensional NMR structure determination.
Methods & Expertise for Research Infrastructure
The device is used for the investigation of biological systems such as proteins, peptides and oligosaccharides. The applications range from the structural confirmation of peptides (chemical structure) to the three-dimensional structure determination of proteins.
A focus is the mapping of protein interaction sites with binding partners to the protein sequence as well as the localization of the binding on the ligand side.
Another focus is on the detection of post-translational modifications.
Smaller tasks are the chemical structure elucidation of small molecules, e.g. purified unknown substances, or the confirmation of the identity of substances which were acquired either commercially or from co-operation partners.
Furthermore, the chemically working groups at the University of Salzburg (for example, Prof. Nicola Hüsing, Department of Chemistry and Physics of Materials) are supported by routine measurements (one-dimensional 1H and 13C spectra).
Allocation to research infrastructure
Department of Chemistry and Physics of Materials, University of Salzburg
Wroclaw University of Science and Technology, Poland
Institute of Clinical Biochemistry, Hannover Medical School, Hannover, Germany
Department of Chemistry and Pharmacy, University of Regensburg, Germany
Institute of Microbiology, ETH Zurich, Switzerland
2023-2025
Elfriede Dall
FWF
https://www.fwf.ac.at/forschungsradar/10.55776/Y1469
International PhD Program "Immunity in Cancer and Allergy"
01.08.2008-31.12.2017
Thalhamer Josef (Projektleiter), Aberger Fritz, Brandstetter Johann, Duschl Albert, Ferreira Fatima, Gratz Iris, Greil Richard, Hartmann Tanja, Huber Christian, Risch Angela, Wessler Silja
FWF
Kofaktor- und Substratabhängige Aktivierung des Gerinnungsfaktors IXa
01.07.2011-30.06.2014
Brandstetter Johann
FWF
Christian Doppler Laboratory for Innovative Tools for the Characterization of Biosimilars
01.10.2013-30.09.2018
Huber Christian (Sprecher), Brandstetter Johann, Cabrele Chiara, Gadermaier Gabriele, Stutz Hanno
CD Forschungsgesellschaft, Sandoz, Thermo Fisher Scientific, BMWFJ
2024
Roman W. Lange, Konstantin Bloch, Miriam Ruth Heindl, Jan Wollenhaupt, Manfred S. Weiss, Hans Brandstetter, Gerhard Klebe, Franco H. Falcone, Eva Böttcher-Friebertshäuser, Sven O. Dahms, Torsten Steinmetzer
ChemMedChem
https://doi.org/10.1002/cmdc.202400057
Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections
2023
Jelena Konstantinović, Andreas M. Kany, Alaa Alhayek, Ahmed S. Abdelsamie, Asfandyar Sikandar, Katrin Voos, Yiwen Yao, Anastasia Andreas, Roya Shafiei, Brigitta Loretz, Esther Schönauer, Robert Bals, Hans Brandstetter, Rolf W. Hartmann, Christian Ducho, Claus-Michael Lehr, Christoph Beisswenger, Rolf Müller, Katharina Rox, Jörg Haupenthal, and Anna K.H. Hirsch
ACS Central Science
https://doi.org/10.1021/acscentsci.3c01102
Structural and functional studies of legumain–mycocypin complexes revealed a competitive, exosite-regulated mode of interaction
2022
T Elamin, NP Santos, P Briza, H Brandstetter, E Dall
Journal of Biological Chemistry 298 (10)
https://doi.org/10.1016/j.jbc.2022.102502
Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases
2022
A Alhayek, AS Abdelsamie, E Schönauer, V Camberlein, E Hutterer, ..., H Brandstetter, A Hirsch
Journal of Medicinal Chemistry 65 (19), 12933-12955
https://doi.org/10.1021/acs.jmedchem.2c00785
Dichlorophenylpyridine-based molecules Inhibit furin through an induced-Fit mechanism
2022
SO Dahms, G Schnapp, M Winter, FH Büttner, M Schlepütz, C Gnamm, … & H Brandstetter
ACS chemical biology 17 (4), 816-821
https://doi.org/10.1021/acschembio.2c00103
Identification and Quantification of Oxidation Products in Full-Length Biotherapeutic Antibodies by NMR Spectroscopy
Hinterholzer A, Stanojlovic V, Regl C, Huber CG, Cabrele C, Schubert M
2020
Anal. Chem.
https://pubs.acs.org/doi/10.1021/acs.analchem.0c00965
DOI: 10.1021/acs.analchem.0c00965
An Enzyme-Based Protocol for Cell-Free Synthesis of Nature-Identical Capsular Oligosaccharides From Actinobacillus pleuropneumoniae Serotype 1
Budde I, Litschko C, Führing JI, Gerardy-Schahn R, Schubert M, Fiebig T
2020
J. Biol. Chem.
https://www.jbc.org/content/295/17/5771.long
DOI: 10.1074/jbc.RA120.012961
Unambiguous Identification of Pyroglutamate in Full-Length Biopharmaceutical Monoclonal Antibodies by NMR Spectroscopy
Hinterholzer A, Stanojlovic V, Cabrele C, Schubert M
2019
Anal. Chem.
https://pubs.acs.org/doi/10.1021/acs.analchem.9b02513
DOI: 10.1021/acs.analchem.9b02513
Novel Floral Scent Compounds from Night-Blooming Araceae Pollinated by Cyclocephaline Scarabs (Melolonthidae, Cyclocephalini)
2018
Maia ACD, Grimm C, Schubert M, Etl F, Gonçalves EG, Do Amaral Ferraz Navarro DM, Schulz S, Dötterl S
J. Chem. Ecol.
https://link.springer.com/article/10.1007%2Fs10886-018-1018-1
DOI: 10.1007/s10886-018-1018-1
A New Family of Capsule Polymerases Generates Teichoic Acid-Like Capsule Polymers in Gram-Negative Pathogens
2018
Litschko C, Oldrini D, Budde I, Berger M, Meens J, Gerardy-Schahn R, Berti F, Schubert M, Fiebig T
Mbio 9(3):E00641-18
https://mbio.asm.org/content/9/3/e00641-18/article-info
DOI: 10.1128/mBio.00641-18
The Recombinant Inhibitor of DNA Binding Id2 Forms Multimeric Structures via the Helix-Loop-Helix Domain and the Nuclear Export Signal
2018
Roschger C, Schubert M, Regl C, Andosch A, Marquez A, Berger T, Huber CG, Lütz-Meindl U, Cabrele C
Int. J. Mol. Sci. 19(4):E1105
https://www.mdpi.com/1422-0067/19/4/1105/htm
DOI: 10.3390/ijms19041105
Complete NMR Assignment of Succinimide and Its Detection and Quantification in Peptides and Intact Proteins
2017
Grassi L, Regl C, Wildner S, Gadermaier G, Huber CG, Cabrele C, Schubert M
Anal. Chem. 89(22):11962
https://pubs.acs.org/doi/abs/10.1021/acs.analchem.7b01645
DOI: 10.1021/acs.analchem.7b01645
Two Distinct Conformations in Bet v 2 Determine Its Proteolytic Resistance to Cathepsin S
2017
Soh WT, Briza P, Dall E, Asam C, Schubert M, Huber S, Aglas L, Bohle B, Ferreira F, Brandstetter H
Int. J. Mol. Sci. 18(10):E2156
https://www.mdpi.com/1422-0067/18/10/2156
DOI: 10.3390/ijms18102156
Targeting of a Helix-Loop-Helix Transcriptional Regulator by a Short Helical Peptide
2017
Roschger C, Neukirchen S, Elsässer B, Schubert M, Maeding N, Verwanger T, Krammer B, Cabrele C
ChemMedChem 12(18):1497
https://onlinelibrary.wiley.com/doi/full/10.1002/cmdc.201700305
DOI: 10.1002/cmdc.201700305
A Secondary Structural Element in a Wide Range of Fucosylated Glycoepitopes
2017
Aeschbacher T, Zierke M, Smieško M, Collot M, Mallet JM, Ernst B, Allain FH, Schubert M
Chemistry 23(48):11598
https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201701866
DOI: 10.1002/chem.201701866
Impact of the amino acid sequence on the conformation of side chain lactam-bridged octapeptides
2017
Neukirchen S., Krieger V., Roschger C., Schubert M., Elsässer B., Cabrele C.
J. Pept. Sci. 23(7-8):587-596
https://onlinelibrary.wiley.com/doi/full/10.1002/psc.2997
DOI: 10.1002/psc.2997
Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease
2017
Z. Zhang, O. Obianyo, E. Dall, Y. Du, H. Fu, X. Liu, S.S. Kang, M. Song, S.P. Yu, C. Cabrele, M. Schubert, X. Li, J.Z. Wang, H. Brandstetter, K. Ye
Nat. Commun. 8:14740
https://www.nature.com/articles/ncomms14740
DOI: 10.1038/ncomms14740
Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes
2017
S. Bleuler-Martinez, K. Stutz, R. Sieber, M. Collot, J.M. Mallet, M. Hengartner, M. Schubert, A. Varrot, M. Künzler
Glycobiology 27(5):486-500
https://academic.oup.com/glycob/article/27/5/486/2566822
DOI: 10.1093/glycob/cww113
Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8
2016
J. M. Propster, F. Yan, B. Ernst, F.H.-T. Allain, M. Schubert
Proc. Natl. Acad. Sci. USA 113, E4170-9
http://www.pnas.org/content/113/29/E4170.abstract
DOI: 10.1073/pnas.1602214113
Straightforward Solvothermal Synthesis toward Phase Pure Li2CoPO4F
2016
J. Schoiber, R.J.F. Berger , J. Bernardi, M. Schubert, C. Yada, H. Miki, N. Husing
Crystal Growth & Design 16, 4999-5005
Crystal Growth & Design 16, 4999-5005
DOI: 10.1021/acs.cgd.6b00573