Publication list: Prof. Dr. Dr. Hans Robert Kalbitzer  

Current Publications of the chair

Baskaran, K., Kirchhöfer, R., Huber, F., Trenner, J., Brunner, K., Gronwald, W., Neidig, K.-P. and Kalbitzer, H. R. Chemical Shift Optimization in Multidimensional NMR Spectra by AUREMOL-SHIFTOPT J. Biomol. NMR 43, 197–210 2009
Linsel-Nitschke, P., Jansen, H., Aherrarhou, Z., Belz, S., Mayer, B., Huber, F., Kremer, W., Kalbitzer, H. R., Erdmann J. and Schunkert, H Macrophage cholesterol efflux correlates with lipoprotein subclass distribution and risk of obstructive coronary artery disease in patients undergoing coronary angiography. Lipids Health Desease 8 :14. 2009
Munte, C. E., Becker, K., Schirmer, R. H., and Kalbitzer, H. R. NMR assignments of oxidised thioredoxin from Plasmodium falciparum .

NMR Assignments , in press.

Schumann, F., Hoffmeister, H., Bader, R., Schmidt, M., Witzgall, R., & Kalbitzer, H. R . Ca 2+ -Dependent Conformational Changes in a C-terminal Cytosolic Domain of Polycystin-2. J. Biol. Chem. 284 , 24372–24383 2009
Winklmeier, A., Weyand, M., Schreier, C., Kalbitzer, H. R. & Kremer, W. Crystallization and preliminary X-ray diffraction studies of the tetramerization domain derived from the human potassium channel Kv1.3. A. Crystal. F65 , 688-691. 2009
Schreier, C., Auer, A., Kalbitzer, H. R. and Kremer, W. NMR Assignments of a 48 kDa Tetramer of the T1 Domain of the mammalian Voltage Gated Potassium Channel Kv1.4. Biomol. NMR Assignments , in press. 2009
Schumann, F. H., Hoffmeister, H., Schmidt, M., Bader, R., Besl, E., Witzgall, R. and Kalbitzer, H. R. NMR-Assignments of a Cytosolic Domain of the C-Terminus of Polycystin-2. Biomol. NMR Assignments 3 , 141-144. 2009
Kalbitzer, H. R ., Spoerner, M., Ganser, P. and Kremer, W. A fundamental link between folding and function as studied by high pressure NMR spectroscopy of the Ras protein. J. Am. Chem. Soc. , in press. 2009
Cano, C., Brunner, K. Elsner, R., Baskaran, K., Munte, C. E. and Kalbitzer, H. R. Protein structure calculation with data imputation: the use of substitute restraints. J. Biomol. NMR , in press. 2009
Kiel, C., Filchtinski, D., Spoerner, M., Schreiber, G., Kalbitzer, H. R. and Herrmann,C. Improved binding of Raft o Ras-GDP is correlated with biological activity. J. Biol. Chem. , in press. 2009


J. Ramírez, J. M. Górriz, M. Gómez-Río, A. Romero, R. Chaves, A. Lassl, A. Rodríguez, C. G. Puntonet, F. Theis, E. Lang Effective Emission Tomography Image Reconstruction Algorithms for SPECT Data Proc. ICCS 2008, 741 – 748, (2008) 2008
Ch. Kohler, I. Keck, Ch.-H. Lie, P. Gruber, K. Specht, A. M. Tomé, E. W. Lang Spatiotemporal group ICA applied to fMRI datasets Proc. IEEE-EMBC 2008, pp. 4652 – 4655, (2008) ISBN: 978-4244-1815-2, ISSN: 1557-170X 2008

A. R. Teixeira, A. M. Tomé, E. W. Lang , A. Martins da Silva

Subspace techniques to remove artifacts from EEG: A quantitative analysis

Proc. IEEE-EMBC 2008, pp. 4395 – 4398, (2008) ISBN: 978-4244-1815-2, ISSN: 1557-170X

F. Fink, K. Wörle, P. Gruber, A. M. Tomé, J. M. Górriz Sáez, C. G. Puntonet, E. W. Lang ICA analysis of Retina images for Glaucoma classification Proc. IEEE-EMBC 2008, pp. 4664 – 4667, (2008) ISBN: 978-4244-1815-2, ISSN: 1557-170X 2008
D. Herold, D. Lutter, R. Schachtner, A. M. Tomé, G. Schmitz, E. W. Lang Comparison of Unsupervised and Supervised Gene Selection Methods

Proc. IEEE-EMBC 2008, pp. 5212 – 5215, (2008) ISBN: 978-4244-1815-2, ISSN: 1557-170X

R. Schachtner, D. Lutter, A. M. Tomé, G. Schmitz, P. Gómez Vilda, E. W. Lang A Matrix Factorization Classifier for Knowledge-based Microarray Analysis

Advances in Soft Computing 49 , 137 – 147, (2008)


A. R. Teixeira, A. M. Tomé, E. W. Lang

Feature extraction using low rank approximations of the Kernel matrix LNCS 5112 , 404 – 412, (2008) 2008

K. Stadlthanner, F. J. Theis, E. W. Lang , A. M. Tomé, C. G. Puntonet, J. M. Górriz Sáez

Hybridizing sparse component analysis with genetic algorithms for Microarray analysis

Neurocomputing (2008), 71 , 2356-2376  

A.R. Teixeira, A. M. Tomé, K. Stadlthanner, E. W. Lang

Denoising and the Pre-image problem revisited

Digital Signal Processing, 18 , 568 – 590, (2008) 2008
A. R. Teixeira, A. M. Tomé, M. Böhm, C. G. Puntonet , E. W. Lang

How to apply non-linear subspace techniques to Univariate biomedical time series

IEEE Trans Instrum. Measurement 2008, in print 2008

Ch. Kohler, Chuh-Hyoun Lie, I. R. Keck, P. Gruber, K. Specht, E. W. Lang

Spatiotemporal group ICA applied to a Wisconsin card sorting test experiment IEEE Trans. Neural Networks 2008, revision under review 2008
D. Lutter, Th. Langmann, P. Ugocsai, C. Moehle, E. Seibold, W. Splettstoesser, P. Gruber, E. W. Lang , G. Schmitz Analyzing Time-dependent Microarray Data Using Independent Component Analysis Derived Expression Modes from Human Macrophages Infected with F. tularensis holartica J. Medical Informatics, accepted 2008
D. Lutter, P. Ugocsai, M. Grandl, E. Orso , F. J. Theis, E. W. Lang Analyzing M-CSF dependent monocytes – macrophage differentiation and meta-clustering with independent component analysis derived expression modes BMC Bioinformatics, 2008, 9, 100 2008
R. Schachtner, D. Lutter, P. Knollmüller, A. M. Tomé, F. J. Theis, G. Schmitz, M. Stetter, P. Gómez Vilda, E. W. Lang Knowledge-based Gene expression Classification via Matrix Factorization Bioinformatics, 2008, 24(15):1688-1697 2008
E. W. Lang, R. Schachtner, D. Lutter, D. Herold, Ph. Knollmüller, F. Theis, G. Schmitz, A. M. Tomé, P. Gómez Vilda, C. G. Puntonet, J. M. Górriz Sáez, M. Stetter, Machine Learning Techniques to Identify Marker Genes for Diagnostic Classification of Microarrays in Machine Learning Research Progress, H. Peters, M. Vogel, eds., Nova Science Publishers, Chapter 1, pp. 1 – 65, 2008, in press 2008
Gröger, C., Lutz, K., Brunner, E. NMR Studies on Biomineralization. Progress in Nuclear Magnetic Resonance Spectroscopy, 54 (2009) 54-68 2008
Sumper, M., Brunner, E. Silica Biomineralization if Diatoms: The Model Organism Thalassiosira pseudonana. ChemBioChem 9 , 1187-1194. 2008
Gröger, C., Sumper, M., Brunner, E. Silicon uptake and metabolism of the marine diatom Thalassiosira pseudonana: Solid-state 29 Si NMR and fluorescence microscopic studies. J. Struct. Biol. 161 , 55-63. 2008
Gröger, C., Lutz, K., Brunner, E. Biomolecular Self-assembly and ist Relevance in Silica Biomineralization. Cell Biochemistry and Biophysics 50 , 23-39. 2008
Ramm , P., Plötz, S., Couillard-Despres, S., Rivera, F., Krampert, M., Lehner, B., Kremer, W., Bogdahn, U., Kalbitzer , H. R. & Aigner, L. A nuclear magnetic resonance biomarker for neural progenitor cells: is it all neurogenesis? Stem Cells , 27 , 420-423 2008
Sasaki, K., Gaikwad, J., Hashiguchi, S. Kubota , T., Sugimura, K. Kremer, W., Kalbitzer, H. R. and Akasaka, K. Reversible monomer-oligomer transition in human prion protein. Prion 2, 118-122 2008
Seitz, C., Eberle, W., Kalbitzer, H. R. , & Knoll, M. Evidence for a cystein proteinase involved in BSE infection and/or progression. Biochemica 3 , 26-27. 2008
Riepl, H., Maurer, T., Kalbitzer, H. R., Meier, V. M., Haslbeck, M., Schmitt, R. & Scharf, B. Interaction of CheY2 and CheY2-P with the cognate CheA kinase in the chemosensory-signalling chain of Sinorhizobium meliloti. Mol. Microbiol. 69 , 1373-1384.  
Gronwald, W. Bombke, J., Maurer, T., Domogalla, B., Huber, F., Schumann, F., Kremer, W., Fink, F., Rysiok, T., Frech, M. & Kalbitzer, H. R. Structure of the Leech Protein Saratin and Characterisation of its Binding to Collagen. J. Mol. Biol . 381 , 913–927. 2008
Munte, C. E., Gäde, G., Domogalla, B., Kremer, W., Kellner, R., & Kalbitzer, H. R. C-mannosylation in the hypertrehalosaemic hormone (HrTH) from the stick insect Carausius morosus FEBS J . 275, 1163-1173. 2008
Kaess, B., Fischer, M., Baessler, A., Stark, K., Huber, F., Kremer, W., Kalbitzer, H. R ., Schunkert, H., Riegger, G., Hengstenberg, C. The lipoprotein subfraction profile: heritability and identification of quantitative trait loci. Journal of Lipid Research, Vol. 49, 715-723, April 2008 2008
Brügger, B., Krautkrämer, E., Tibroni, N., Munte, C. E., Rauch, S., Leibrecht, I., Glass, B., Bräuer, S., Geyer, M., Kräusslich, H.-G., Kalbitzer, H.R ., Wieland, F.T. and Fackler, O.T. Human Immunodeficiency Virus Type 1 Nef protein modulates the lipid composition of virions and host cell membrane microdomains. Retrovir. 4: 70, 1-12. 2007
Rudolph, C., Sigruener, A., Hartmann, A., Bals-Pratsch, M., Gronwald, W, Seifert, B., Kalbitzer, H. R., Verdorfer, I., Luetjens, C. M., Ortmann, O., Bornstein, S. R. & Schmitz , G. ApoA-I Binding Protein (AI-BP) and its homologues hYjeF_N2 and hYjeF_N3 comprise the YjeF_N domain protein family in humans with a role in spermiogenesis and oogenesis. Horm. Metab. Res. 39 , 322-335. 2007
Kremer, W., Kachel, N., Kuwata, K., Akasaka, K., & Kalbitzer, H. R. Species specific differences in the intermediate states of human and Syrian hamster prion protein detected by high pressure NMR spectroscopy. J. Biol. Chem. 282, 22689–22698. 2007
Schumann, F. H., Riepl, H., Maurer, T., Gronwald, W., Neidig, K.-P., & Kalbitzer, H. R. Combined chemical shift changes and amino acid specific chemical shift mapping of protein-protein interactions. J. Biomol. NMR 39, 275–289. 2007
Horn, G., Hofweber, R., Kremer, W. & Kalbitzer, H. R. Structure and function of bacterial cold shock proteins. Cell. Mol. Life Sci. 64, 1457 – 1470. 2007
Sterner, R., Brunner, E.

The relationship between catalytic activity, structural flexibility and conformational stability as deduced from the analysis of mesophilic-thermophilic enzyme pairs and protein engineering studies.

Thermophiles, Biology and Technology at High Pressures", CRC Press 2008, 25-38. 2007

Blobel, J., Schmidl, S., Vidal, D., Nisius, L., Bernadó, P., Millet, O., Brunner, E., Pons, M.

Protein tyrosine phosphatase oligomerization studied by a combination of 15N-NMR relaxation and 129Xe-NMR. The effect of arginine and glutamic acid containing buffer.

J. Am. Chem. Soc. 129 (2007) 5946-5953. 2007
Kalbitzer H.R., Kremer W., Schumann F., Spörner M., Gronwald W. Elucidation of Protein-Protein and Protein-Ligand Interactions by NMR-Spectroscopy. Protein Interactions -Biophysical Approaches for the Study of Complex Reversible Systems. (Ed. by Schuck P.) Springer Verlag. ISBN: 978-0-387-35965-6
pp. 189-230
Ader, C., Spoerner, M., Kalbitzer, H.R., Brunner, E. Solid-State 31 P NMR Spectroscopy of Precipitated Guanine Nucleotide-Binding Protein Ras in Complexes With its Effector Molecules Raf Kinase and RalGDS. J. Phys. Chem. B, 111, 2752-2757 2007
Iuga, A., Ader, C., Gröger, C., Brunner, E. Applications of solid-state 31 P NMR spectroscopy. Annu. Rep. NMR Spectrosc. 60 (2007) 145-189. 2007
Kalbitzer, H. R. & Petrides, P. E. Kap. 3 Proteine . In: „Biochemie und Pathobiochemie“ (L. Löffler, Petrides, & Heinrich, eds), pp. xx to xx, 8 th edition, Springer Verlag, Heidelberg, in press. 2007
Gronwald, W., Brunner, K., Kirchhöfer, R., Trenner, J., Neidig, K.-P. & Kalbitzer, H.R. AUREMOL-RFAC-2D, combination of R-factors and their use for automated quality assessment of protein structures. J J Biomol NMR. 2007 Jan;37(1):15-30. 2007
Spoerner, M., Nuehs, A, Herrmann, C., Steiner, G. & Kalbitzer, H. R. Slow conformational dynamics of the guanine nucleotide-binding protein Ras complexed with the GTP analogue GTPgS. FEBS J 274 (6), 1419-1433. 2007
Kremer, W. High-Pressure NMR Studies in Proteins. Ann. Rep. NMR Spectroscopy, 57, 177-200. 2006
Ab, E., Atkinson, A. R., Banci, L., Bertini, I., Ciofi-Baffoni, S., Brunner, K., Diercks, T., Dötsch, V., Engelke, F., Folkers, G. E., Griesinger, C., Gronwald, W., Günther, U., Habeck, M., de Jong, R., N., Kalbitzer, H. R. , Kieffer, B., Leeflang, B. R., Loss, S., Luchinat, C., Marquardsen, T., Moskau, D., Neidig, K.-P., Nilges, M., Piccioli, M., Pierattelli, R., Rieping, W., Schippmann, T., Schwalbe, H., Travé, G., Trenner, J., Wöhnert, J., Zweckstetter, M. and Kaptein, R. NMR in the SPINE Structural Genomics project. A. Cryst. D62 , 1150-1161. 2006
Baumer D., Brunner E., Blümler P., Zänker P.P., Spiess H.W.

NMR spectroscopy of laser-polarised 129 Xe under continuous flow:

A method to study aqueous solutions of biomolecules.

Angew. Chem. Int. Ed. 45 (2006) 7282-7284. 2006
Brunner E., Lutz K. Solid-state NMR in biomimetic silica formation and silica biomineralisation.

Handbook of Biomineralisation, Vol. 2 (Hrsg.: P. Behrens/ E. Bäuerlein),Wiley-VCH, im Druck

Iuga A., Ader C., Gröger C., Brunner E. Applications of solid-state 31 P NMR spectroscopy.

Annu. Rep. NMR Spectrosc. 60 ( 2007) 145-189.

Kachel N., Kremer W., Zahn R., Kalbitzer H.R. Observation of intermediate states of the human prion protein by high pressure NMR spectroscopy. BMC Struct Biol. 2006 Jul 17;6(1):16 2006
Brunner K., Gronwald W., Trenner J.M., Neidig K.P., Kalbitzer H.R. A general method for the unbiased improvement of solution NMR structures by the use of related x-ray data, the AUREMOL-ISIC algorithm. BMC Struct Biol. 2006 Jun 26;6(1):14 2006
Iuga A., Spoerner M., Ader C., Brunner E., Kalbitzer H.R. Rapid assignment of solution 31P NMR spectra of large proteins by solid-state spectroscopy. Biochem. Biophys. Res. Commun. 346, 309-313. 2006
Sumper M., Brunner E. Learning from diatoms: Nature's tools for the production of nanostructured silica. Adv. Funct. Mater. 16, 17-26. 2006
Bennati M., Hertel M. M.,Fritscher J., Prisner T. F., Weiden N., Hofweber R., Spoerner M., Horn G., & Kalbitzer H.R. High-frequency 95 GHz ENDOR Characterization of the Metal Binding Sites in Wild Type Ras.GDP and its Oncogenic Mutant G12V in Frozen Solution. Biochemistry 45 , 42-50. 2006
Stadlthanner K., Tomé A. M., Theis F. J., Lang E. W., Gronwald W. & Kalbitzer H. R. Separation of water artefacts in 2D NOESY protein spectra using congruent matrix pencils. Neurocomp. 96 , 497-522. 2006
Böhm M., Stadlthanner K., Gruber P., Theis F. J., Lang E. W., Tom, A. M., Teixeira, Gronwald W. & Kalbitzer H. R. On the use of simulated annealing to automatically assign independent components. IEEE Transact. Biomed. Engineer. 2006
Nisius L., Stadler M., Kalbitzer H.R., Brunner, E. NMR spectroscopic study of noble gas binding into the engineered cavity of HPr(I14A) from Staphylococcus carnosus J Phys Chem B Condens Matter Mater Surf Interfaces Biophys. 2005 Sep 29;109(38):17795-8 2005
Fink, A., Baumer, D., Brunner, E. Production of hyperpolarized xenon in a static pump cell: Numerical simulations and experiments. Phys. Rev. A 72 web release number 053411. 2005
Lutz, K., Gröger, C., Sumper, M., Brunner, E. Biomimetic silica formation: Analysis of phosphate-induced self-assembly of polyamines. Physical Chemistry Chemical Physics 7 2812-2815. 2005
Sumper, M., Brunner, E., Lehmann, G. Biomineralization in diatoms: Characterization of novel polyamines associated with silica. FEBS Letters 579 3765-3769. 2005
Möglich, A., Weinfurtner, D., Gronwald, W., Maurer, T. & Kalbitzer, H. R. PERMOL: Restraint-based protein homology modeling using DYANA or CNS. Bioinform. 21 , 2110-2111. 2005
Möglich, A., Weinfurtner, D., Maurer, T., Gronwald, W. & Kalbitzer, H. R. A restraint molecular dynamics and simulated annealing approach for protein homology modeling utilizing mean angles. BMC Bioinform . 6 :91. 2005
Riepl, H., Hartl, R. ,Bauer, M., Nar, H., Kauschke, S. G., Kalbitzer, H. R. & and Maurer, T. Sequential Backbone Assignment of Peroxisome Proliferator-Activated Receptor g Ligand Binding Domain. J. Biomol. NMR. 32 , 259-259. 2005
Munte, C. E., Vilela, L., Kalbitzer, H. R. & Garratt, R. C. Solution Structure of Human Proinsulin C-Peptide. FEBS J. 272 , 4284-4293. 2005
Munte, C. E., Becker, K., Schirmer, R. H. & Kalbitzer, H. R. 1 H, 13 C, and 15 N sequence-specific resonance assignme nt and secondary structure of Plasmodium falciparum thioredoxin . J. Biomol. NMR 32 , 340-340. 2005
Hofweber, R., Horn, G., Langmann, T., Balbach, J., Kremer, W., Schmitz, G. & Kalbitzer, H. R. The influence of cold shock proteins on transcription and translation studied in cell-free model systems. FEBS J . 272 , 4691-4702. 2005
Nisius, L., Stadler, M., Kalbitzer, H. R. & Brunner, E. NMR-Spectroscopic Study of Noble Gas-binding into the Engineered Cavity of HPr(I14A) from Staphylococcus carnosus. J. Chem. Phys. 109 , 17795-17798. 2005

M. Spoerner, T.F. Prisner, M. Bennati, M.M. Hertel, N. Weiden, T.Schweins & H.R. Kalbitzer

Conformational States of Human H-Ras Detected by High field EPR, ENDOR, and 31P NMR Spectroscopy.

Magn. Reson. Chem. , 43 , 74-83


M. Spoerner, T. Graf, B. König, H.R. Kalbitzer

A Novel Mechanism for the Modulation of the Ras-Effector Interaction by small molecules.

Biochem. Biophys. Res. Commun. , 334 , 709-713


J.P. Geyer, R. Döker, W. Kremer, X. Zhao, J. Kuhlmann and H.R. Kalbitzer

Solution Structure of the Ran-binding Domain 2 of RanBP2 and its Interaction with the C Terminus of Ran.

J Mol Biol , 348 , 711-725


M. Spoerner, A. Nuehs, P. Ganser, C. Herrmann, A. Wittinghofer, H.R. Kalbitzer

Conformational States of Ras Complexed with the GTP-analogs GppNHp or GppCH2p: Implications for the Interaction with Effector Proteins.

Biochemistry , 44 , 2225-2236


Meier M., Fink A., and Brunner E.

Reverse Micelles Dissolved in Supercritical Xenon: An NMR Spectroscopic Study.

J. Phys. Chem. B , 109, 3494-3498



Gronwald, W. and Kalbitzer, H. R. Automated Structure Determination of Proteins by NMR Spectroscopy. Progr. NMR Spectr. 44 , 33-96. 2004
Gronwald, W., Brunner, K., Kirchhöfer, R., Nasser, A., Trenner, J., Ganslmeier, B., Riepl, H., Ried, A., Schreiber, J., Elsner, R., Kalbitzer, H. R. & Neidig, K.-P. The new AUREMOL program. Automation of protein structure elucidation. Bruker Report 154/155 , 11-14. 2004
Kremer, W., Arnold, M. R., Kachel, N. & Kalbitzer, H. R. The use of high- sensitivity sapphire cells in high pressure NMR spectroscopy and its application to proteins. Spectroscopy 18 , 271-278. 2004
Hattori, M., Li, H., Yamada, H., Akasaka, K., Hengstenberg, W., Gronwald, W. & Kalbitzer, H. R. Infrequent cavity-forming fluctuations in HPr from Staphylococcus carnosus revealed by pressure and temperature-dependent tyrosine ring-flips.

Prot. Sci. 13 , 3104-3114.

Möglich, A., Koch, B., Gronwald, W., Hengstenberg,, W., Brunner, E. & Kalbitzer, H. R. Solution structure of the active-centre mutant Ile14Ala of the histidine-containing phosphocarrier protein (HPr) from Staphylococcus carnosus. Eur.

J. Biochem. 271 , 4815-4824.


Möglich A., Koch B., Gronwald W., Hengstenberg W., Brunner E., and Kalbitzer H.R.

Solution structure of the active-centre mutant I14A of the histidine-containing phosphocarrier protein from Staphylococcus carnosus.

Eur. J. Biochem. , 271 , 4815-4824


Ried A., Gronwald W., Trenner J.M., Brunner K., Neidig K.P., Kalbitzer H.R.

Improved simulation of NOESY spectra by RELAX-JT2 including effects of J-coupling, transverse relaxation and chemical shift anisotropy.

J. Biom. NMR , 30, 121-131


Spoerner M., Wittinghofer A. & Kalbitzer H.R.

Perturbation of the conformational equilibria of Ras by selective mutations studied by 31P NMR spectroscopy.

FEBS Lett. 578, 305-310


Maurer T., Meier S., Kachel N., Munte C.E., Hasenbein S., Koch B., Hengstenberg W., Kalbitzer H.R.

High-resolution structure of the histidine-containing phosphocarrier protein (HPr) from Staphylococcus aureus and characterization of its interaction with the bifunctional HPr kinase/phosphorylase.

JBacteriol.Sep; 186 (17): 5906-18


Canalia M., Malliavin T.E., Kremer W., Kalbitzer H.R.

Molecular dynamics simulations of HPr under hydrostatic pressure.

Biopolymers. Aug 5;74(5):377-88.Erratum in: Biopolymers. Aug 15; 74(6):495


Ellenrieder A.D., Kremer W., Kattenbeck B., Hantschel O., Horn G., Kalbitzer H.R., Modrow S.

The central domain of the matrix protein of HIV-1: influence on protein structure and virus infectivity.

Biol Chem. Mar-Apr;385(3-4):303-13


Iuga A., Spörner M., Kalbitzer H.R., and Brunner E.

Solid-state 31P NMR Spectroscopy of Microcrystals of the Ras Protein and its Effector Loop Mutants: Comparison Between Crystalline and Solution State.

J Mol. Biol., 342 , 1033-1040


Riepl H., Scharf B., Schmitt R., Kalbitzer H.R., Maurer T.

Solution structures of the inactive and BeF3-activated response regulator CheY2.

J Mol Biol. Apr 23;338(2):287-97


Kramer, F., Jung, A., Brunner, E., and Glaser, S.J.

Determining the relative sign and size of scalar and residual dipolar couplings in homonuclear two-spin systems.

Journal of Magnetic Resonance , 169 , 49-59


Kremer W., Steiner G., Beraud-Dufour S., Kalbitzer H.R.

Conformational states of the small G protein Arf-1 in complex with the guanine nucleotide exchange factor ARNO-Sec7.

J Biol Chem. 2004 Apr 23; 279 (17):17004-12


Jung A., Bamann C., Kremer W., Kalbitzer H.R., Brunner E.

High-temperature solution NMR structure of TmCsp.

Protein Science , 13 , 342-350


Brunner E., Lutz K., Sumper M.

Biomimetic synthesis of silica nanospheres depends on the aggregation and phase separation of polyamines in aqueous solution.

Physical Chemistry Chemical Physics , 6 , 854-857


M. Hunger & E. Brunner

NMR spectroscopic characterization of molecular sieves.

In: H.G. Karge & J. Weitkamp, (Eds.): "Molecular Sieves - Science and Technology", vol. 4, Springer , 4 , 201-293



Sumper M., Lorenz S., Brunner E.

Biomimetic Control of Size in the Polyamine-Directed Formation of Silica Nanospheres.

Angewandte Chemie Int. Ed. , 42 , 5192-5195


Iuga A., Brunner E.

Phosphorylated amino acids: model compounds for solid-state 31 P NMR spectroscopic studies of proteins.

Magn. Reson. Chem. , 42 , 369-372


Geyer M., Wilde C., Selzer J., Aktories K., and Kalbitzer H. R.

Glucosylation of Ras by Clostridium sordellii lethal toxin: Consequences for the effector loop conformations observed by NMR spectroscopy.

Biochemistry , 42, 11951-11959.


Kachel N., Erdmann K. S., Kremer W., Wolff P., Gronwald W., Heumann R., Kalbitzer H. R.

Structure determination and ligand interactions of the PDZ2b domain of PTP-Bas (hPTP1E): Splicing induced modulation of ligand specificity.

J. Mol. Biol. , 334, 143-155.


Heitmann B., Maurer T., Weitzel J. M., Strätling W. H., Kalbitzer H. R. & Brunner E.

Solution structure of the matrix attachment region-binding domain of chicken MeCP2.

Eur. J. Biochem. , 270, 3236-3270.


Gröger C., Möglich A., Pons M., Koch B., Hengstenberg W., Kalbitzer H. R., & Brunner E.

NMR-spectroscopic mapping of an engineered cavity in HPr the I14A Mutant from S. carnosus using xenon.

J. Am. Chem. Soc. , 125, 8726-8727.


Kremer W. & Kalbitzer H. R.

Hochdruck-NMR-Spektroskopie an Proteinen.

Biospektrum , 2, 142-145.


Kremer W., Arnold M. R., Brunner E., Schuler B., Jaenicke R. & Kalbitzer H. R.

High pressure NMR spectroscopy and its application to the cold shock protein TmCsp from the hyperthermophilic bacterium Thermotoga maritima.

„Advances in high pressure bioscience and biotechnology II". (R. Winter, ed.), Springer, Berlin. ,   101-112.


Arnold M. R., Kalbitzer H. R. and Kremer W.

High-Sensitivity Sapphire Cells for High Pressure NMR Spectroscopy on Proteins.

J. Magn. Reson. , 61, 127-131.


Wissmann R., Bidl W., Oliver D., Beyermann M., Kalbitzer H. R., Bentrop D. & Fakler B.

Solution structure of the ‘tandem-inactivation domain' of the neuronal A-type potassium channel Kv1.4.

J. Biol. Chem , 278, 16142-16150.


Baumer D., Fink A., and Brunner E.

Measurement of the 129 Xe NMR Chemical Shift of Supercritical Xenon.

Z. Phys. Chem. , 217, 1.


Stadlhanner, K., Theis, F. J., Lang, E. W., Gronwald, W., Kalbitzer, H. R A matrix pencil approach to the blind source separation of artifacts in 2D NMR spectra. Neur. Inform. Process. 1, 103-110 . 2003


Moeglich A., Wenzler M., Kramer F., Glaser S.J., and Brunner E.

Determination of Residual Dipolar Couplings in MOCCA-SIAM Experiments.

J. Biomol. NMR , 23, 211.


Kroeger N., Lorenz S., Brunner E., and Sumper M.

Self-Assembly of Highly Phosphorylated Silaffins and Their Function in Biosilica Morphogenesis.

Science , 298, 584-586.


Stumber M., Geyer M., Graf R., Kalbitzer H. R., Scheffzek K. & Haeberlen U.

Observation of slow dynamic exchange processes in Ras protein crystals by 31 P solid state NMR spectroscopy.

J. Mol. Biol. , 323, 899-907.


Schuler B., Kremer W., Kalbitzer H. R. & Jaenicke R.

Role of entropy in protein thermostability: Folding kinetics of a hyperthermophilic cold schock protein at high temperatures using 19 F-NMR.

Biochemistry , 41, 11670-11680.


Gronwald W., Moussa S., Elsner R., Jung A., Ganslmeier B., Trenner J.M., Kremer W., Neidig K.-P., & Kalbitzer H. R.

Automated assignment of NOESY NMR spectra using a knowledge based method (KNOWNOE).

J. Biomol. NMR , 23, 271-287.


Kany H., Wolf J. & Kalbitzer H. R.

Myosin II from rabbit skeletal muscle and Dictyostelium discoideum and its interaction with F-actin studied by 1 H NMR spectroscopy.

FEBS Lett. , 521, 121-126.


Stumber M., Herrmann H., Wohlgemuth S., Kalbitzer H. R., Jahn W. & Geyer M.

Synthesis, characterization and application of two nucleoside triphosphate analogues, GTP ? NH 2 and GTP ? F.

Eur. J. Biochem. , 269, 3270-3278.


Kalbitzer H. R. & Petrides

Kap. 3 Proteine (Polyaminosäuren).

In: "Biochemie" (L. Löffler & Petrides, eds), 57-102, Springer Verlag, Heidelberg.


Horn G., Maurer T. & Kalbitzer H. R.

The small GTPase Ral.

In:"Encyclopedia of Molecular Medicine" (T. E. Creighton, ed) , Vol. 5, pp 2722- 2726, John-Wiley and Sons, New York., 2002.


Sahrbacher U., Pehlke-Rimpf A., Rohr G., Eggert-Kruse W. & Kalbitzer H. R.

High Resolution Proton Magnetic Resonance Spectroscopy of Human Cervical Mucus.

J. Pharm. Biomed. Anal , 28, 872-840.


Döker R., Zhao X., Kremer W., Villa Braslavsky C.I., Kuhlmann J. & Kalbitzer H. R.

Letter to the Editor: Sequence-specific resonance assignment of the second Ran-binding domain of human RanBP2.

J. Biomol NMR , 22, 185-186.


Arnold R. M., Kremer W., Lüdemann H.-D. & Kalbitzer H. R.

1 H-NMR parameters of common amino acidresidues measured in aqueous solution of the linear tetrapeptides Gly-Gly-X-Ala at pressures between 0.1 and 200 MPa.

Biophys. Chem , 96, 129-140.



Maurer T., Bomke J., Frech M., Rysiok T. & Kalbitzer H. R.

Sequential assignment and secondary structure of Saratin, an inhibitor of von Willebrand factor dependent platelet adhesion to collagen.

J. Biomol. NMR , 21, 77-78.


Brunner E., Arnold M. R., Kremer W. & Kalbitzer H. R.

Pressure stability of phospholipid bicelles: measurements of residual dipolar couplings under extreme conditions.

J. Biomol. NMR , 21, 173-176.


Inoue K., Maurer T., Yamada H., Herrmann C., Horn G., Kalbitzer H. R. & and Akasaka K.

High-pressure NMR study of the complex of a GTPase Rap1A with its effector RalGDS. A conformational switch in RalGDS revealed from non-linear pressure shifts.

FEBS Lett. , 506, 180-184.


Gronwald W., Huber F., Grünewald P., Spörner M., Wohlgemuth S., Herrmann C., Wittinghofer A. & Kalbitzer H. R.

Solution Structure of the Ras-binding domain of the protein kinase Byr2 from Schizosaccharomyces pombe.

Structure , 9, 1029-1041.


Riepl H., Scharf B., Schmitt R., Kalbitzer H. R. & Maurer T.

Sequential Assignment and Secondary Structure of the 14 kDa chemotactic Protein CheY2 from Sinorhizobium meliloti.

J. Biomol. NMR , 19, 287-288.


Akasaka K., Li H., Dubovskii P., Kalbitzer H. R. & Yamada H.

High Resolution High-Pressure NMR Spectroscopy - Application to Protein Structure, Dynamics and Folding.

'Dynamics, Structure and Function of Biological Macromocules´ (O. Jardetzky and M. D. Finucane, eds) IOS press, Amsterdam, Nato Science Series A , 315, 77-92.


Kremer W. & Kalbitzer H. R.

Physiological conditions and practicality for protein nuclear magnetic resonance spectroscopy : Experimental methodologies and theoretical background.

Meth. Enzymol. , 339, 3-19.


Spoerner M., Herrmann C., Vetter I.R., Kalbitzer H.R. & Wittinghofer A.

Dynamic properties of the Ras switch I region and its importance for binding to effectors.

Proc. Natl. Acad. Sci. USA. , 98, 4944-4949.


Kremer W., Schuler B., Harrieder B., Geyer M., Gronwald W., Welker C., Jaenicke R. & Kalbitzer H.R.

Solution NMR structure of the cold-shock protein from the hyperthermophilic bacterium Thermotoga maritima.

Eur. J. Biochem. , 268, 2527-2539.


Rohrer M., Prisner T. F., Brügmann O., Käß H., Spoerner M., Wittinghofer A. & Kalbitzer, H. R

Structure of the metal-water complex in Ras.GDP studied by high-field EPR spectroscopy and 31 P NMR spectroscopy.

Biochemistry. , 40, 1884-1889.


Gronwald W., Brunner E., Huber F., Wenzler M., Herrmann C., Wittinghofer A. & Kalbitzer H. R

Overcoming the problems associated with poor spectra quality of protein kinase Byr2 using residual dipole couplings.

Prot. Sci. , 10, 1260-1263.


Maurer T., Döker R., Görler A., Hengstenberg W. & Kalbitzer H. R.

Three-dimensional structure of the histidine containing phopsphocarrier protein (HPr) from Enterococcus faecalis in solution.

Eur. J. Biochem. , 268, 635-644.


E. Brunner

The use of residual dipolar couplings in protein NMR.

Concepts in Magnetic Resonance , 13, 238-259.


E. Brunner & H. Pfeifer

Spectroscopic methods for determining acidity and basicity.

In: H.G. Karge & J. Weitkamp, (Eds.): "Molecular Sieves - Science and Technology", vol. 6, Springer.


Wenzler M., Brunner E., Kröger N., Lehmann G., Sumper M., & Kalbitzer H.R.

1 H, 13 C and 15 N sequence-specific resonance assignment of the PSCD4 domain of diatom cell wall protein pleuralin-1.

J. Biomol. NMR, 20, 191-192.



Gronwald W., Kirchhöfer R., Görler A., Kremer W., Ganslmeier B., Neidig K.-P. & Kalbitzer H. R.

RFAC, a programm for automated NMR-R-factor estimation.

J. Biomol. NMR . 17 , 137- 151.


Steiner G., Kremer W., Linnemann T., Herrmann C., Geyer M. and Kalbitzer H. R.

Sequence-specific resonance assignments of the Ras-binding domain of AF6.

J. Biomol. NMR . 18 , 73- 74.


Brunner E., Ogle J., Wenzler M. & Kalbitzer H. R.

Molecular alignment of proteins in bicellar solutions: quantitative evaluation of effects induced in 2D COSY spectra.

Biochem. Biophys. Res. Comm. . 272 , 694- 698.


Brunner E., Weitzel J., Heitmann B., Maurer T., Strätling W. H. & Kalbitzer H.R.

Sequence-specific 1 H, 13 C, and 15 N assignments of the MAR-binding domain of chicken MeCP2/ARBP.

J. Biomol. NMR. 17 , 175- 176.


Inouhe K., Yamada K., Akasaka K., Herrmann C., Kremer W., Maurer T., Döker R. & Kalbitzer H.R.  

Pressure-induced local unfolding of the Ras binding domain of RalGEF.

Nature Struct. Biol. 7 , 547- 550.


Huber F., Gronwald W., Wohlgemuth S., Herrmann C., Geyer M., Wittinghofer A. & Kalbitzer H.R.

Sequential assignments of the RAS-binding domain of Byr2.

J. Biomol. NMR. 16 , 355- 356.


Kalbitzer H.R., Görler A., Li H., Duboswky P., Hengstenberg W., Kowolik C., Yamada H., & Akasaka K.  

15 N and 1 H NMR Study of Histidine Containing Protein (HPr) from Staphylococcus

carnosus at High Pressure.

Prot. Sci. 9 , 693-703.


© 2009 Institut für Biophysik und physikalische Biochemie / Universität Regensburg
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Es tut sich was!

30th Trinational Discussion Meeting
Magnetic Resonance in Biology and Chemistry

GDCH Magnetic Resonance Division
Place: Universität Regensburg, Germany
Date: September 22-25, 2008

Freie Stellen für wache Köpfe

Diploma and Phd Theses in Physics, Biology, Chemistry and Bio-Chemistry are always available in our faculty. If you are interested please contact Prof. Kalbitzer and/or team or Secretary,
Tel: 0941 - 943 2595