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Structural Biology Using Nuclear Magnetic Resonance (NMR)

Extraordinary advances occurred during the last few years in structural biology by nuclear magnetic resonance (NMR) spectroscopy. The precision and accuracy of solution structures by NMR improved dramatically and the upper range of molecular weights accessible to NMR structure determination is still increasing. Very recently, structural refinement involving new information, the anisotropies to hydrodynamic and magnetic susceptibility axes, provides an exceptional stimulation to a possible completely fresh approach to NMR structure determination, perhaps in some much larger macromolecules.

Once reasonable solution conditions are found, NMR structure determination is straight forward. Using nuclear spins in biomolecular structural studies has required exceptional efforts integrating chemical physics, instrumentation development, new algorithms, and labelling strategies.

NMR can provide a realistic, dynamic and/or time averaged view of a macromolecule ligand interface or, even, the transient intramolecular interfaces seen during protein folding not available by other methods. This is an advantage in probing the role of local entropic contributions to binding using relaxation methods, and in the dissection of localized weak contributions, as in the 'SAR (structure activity relationships) by NMR' approach.


Gallery of structures

Mirecka, EA, Shaykhalishahi, H, Gauhar, A, Akgul, S, Lecher, J, Willbold, D, Stoldt, M, Hoyer, W

Sequestration of a β-hairpin for control of α-synuclein aggregation.
Angew.Chem.Int.Ed.Engl. 53: 4227 (2014)


Lecher J, Schwarz CKW, Stoldt M, Smits SHJ, Willbold D, Schmitt L

RTX toxin transporters tether its substrate prior to secretion via the unique function of its N- terminal domain.
Structure 20, 1778-1787 (2012)


Schünke S, Stoldt M, Lecher J, Kaupp UB, Willbold D

Structural insights into conformational changes of a cyclic nucleotide-binding domain in solution from Mesorhizobium loti K1 channel.
Proc. Natl. Acad. Sci. USA 108, 6121-6126 (2011)


Schwarten M, Stoldt M, Mohrlüder J, Willbold D

Solution structure of Atg8 reveals conformational polymorphism of the N-terminal domain.
Biochem. Biophys. Res. Comm. 395, 426-431 (2010)


Schünke S, Stoldt M, Novak K, Kaupp UB, Willbold D

Solution structure of the M.loti K1 channel cyclic nucleotide binding domain in complex with cAMP.
EMBO Rep. 10, 729-735 (2009)


Wittlich M, Koenig BW, Stoldt M, Schmidt H, Willbold D

NMR structural characterization of HIV-1 virus protein U cytoplasmic domain in the presence of dodecylphosphatidylcholine micelles.
FEBS J. 276, 6560-75 (2009)


Schmidt H, Hoffmann S, Tran T, Stoldt M, Stangler T, Wiesehan K, Willbold D

Solution structure of a Hck SH3 domain ligand complex reveals novel interaction modes.
J. Mol. Biol. 365, 1517-1532 (2007)



Wittlich M, Koenig BW, Hoffmann S, Willbold D

Structural characterisation of the transmembrane and cytoplasmic domains of human CD4.
Biochim Biophys Acta 1768, 2949-60 (2007)


Hänel K, Stangler T, Stoldt M, Willbold D

Solution structure of the X4 protein coded by the SARS related coronavirus reveals an immunoglobulin like fold and suggests a binding activity to integrin I domains.
J. Biomed. Sci. 13, 281-293 (2006)


Engler A, Stangler T, Willbold D

Structure of human immunodeficiency virus type 1 Vpr (34-51) peptide in micelle containing aqueous solution.
Eur. J. Biochem. 269, 3264-3269 (2002)




Stangler T, Mayr LM, Willbold D

Solution structure of the GABAA receptor associated protein GABARAP: Implications for biological function and its regulation.
J. Biol. Chem. 277, 13363-13366 (2002)



  • Sicoli G, Sieme D, Overkamp K, Khalil M, Backer R, Griesinger C, Willbold D, Rezaei-Ghaleh N 
    Large dynamics of a phase separating arginine-glycine-rich domain revealed via nuclear and electron spins 
    Nat Commun 15, 1610 (2024) 
  • Sieme D, Engelke M, Rezaei-Ghaleh N, Becker S, Wienands J, Griesinger C 
    Autoinhibition in the Signal Transducer CIN85 Modulates B Cell Activation 
    J Am Chem Soc 146, 399-409 (2024) 
  • Sieme D, Rezaei-Ghaleh N 
    Water dynamics in eutectic solutions of sodium chloride and magnesium sulfate: implications for life in Europa's subsurface ocean and ice shell 
    Phys Chem Chem Phys 26, 105-115 (2024) 
  • Abyzov A, Mandelkow E, Zweckstetter M, Rezaei-Ghaleh N 
    Fast Motions Dominate Dynamics of Intrinsically Disordered Tau Protein at High Temperatures 
    Chem Eur J 29, e202203493 (2023) 
  • Becker C, Giller K, Sieme D, Rezaei-Ghaleh N 
    Maturation of amyloid ß fibrils alters their molecular stability 
    Phys Chem Chem Phys 25, 15099 - 15103 (2023) 
  • Borggräfe J, Gertzen CGW, Viegas A, Gohlke H, Etzkorn M 
    The architecture of the 10-23 DNAzyme and its implications for DNA-mediated catalysis  
    FEBS Journal 290, 2011-2021 (2023) 
  • Rezaei-Ghaleh N, Amininasab M, Giller K, Becker S 
    Familial Alzheimer's Disease-Related Mutations Differentially Alter Stability of Amyloid-Beta Aggregates 
    J Phys Chem Lett 14, 1427-1435 (2023) 
  • Borggräfe J, Etzkorn M 
    Solution NMR Spectroscopy as a Tool to Study DNAzyme Structure and Function. 
    Methods in Molecular Biology 2439, 131-151 (2022) 
  • Borggräfe J, Victor J, Rosenbach H, Viegas A, Gertzen CGW, Wuebben C, Kovacs H, Gopalswamy M, Riesner D, Steger G, Schiemann O, Gohlke H, Span I, Etzkorn M  
    Time-resolved structural analysis of an RNA-cleaving DNA catalyst. 
    Nature 601, 144-149 (2022) 
  • Etzkorn M 
    Atomare Einblicke in die Dynamik der Membransysteme und der Biokatalyse. 
    Biospektrum 28, 30-33 (2022) 
  • Gopalswamy M, Kroeger T, Bickel D, Frieg B, Akter S, Schott-Verdugo S, Viegas A, Pauly T, Mayer M, Przibilla J, Reiners J, Nagel-Steger L, Smits SHJ, Groth G, Etzkorn M, Gohlke H 
    Biophysical and pharmacokinetic characterization of a small-molecule inhibitor of RUNX1/ETO tetramerization with anti-leukemic effects. 
    Sci Rep 12, 1-18 (2022) 
  • Hemmer S, Schulte M, Knieps-Grünhagen E, Granzin J, Willbold D, Jaeger KE, Batra-Safferling R, Panwalkar V, Krauss U. 
    Residue alterations within a conserved hydrophobic pocket influence light, oxygen, voltage photoreceptor dark recovery. 
    Photochem Photobiol Sci , (2022) 
  • Nedaei H, Rezaei-Ghaleh N, Giller K, Becker S, Karami L, Moosavi-Movahedi AA, Griesinger C, Saboury AA 
    The calcium-free form of atorvastatin inhibits amyloid-β(1-42) aggregation in vitro 
    J Biol Chem 298, 101662 (2022) 
  • Pantoja CF, Zweckstetter M, Rezaei-Ghaleh N 
    Dynamical component exchange in a model phase separating system: an NMR-based approach 
    Phys Chem Chem Phys 24, 6169-6175 (2022) 
  • Rafiei Y, Salmani B, Mirzaei-Behbahani B, Taleb M, Meratan AA, Ramezani M, Nikfarjam N, Becker S, Rezaei-Ghaleh N 
    Polyphenols-Based Nanosheets of Propolis Modulate Cytotoxic Amyloid Fibril Assembly of α-Synuclein 
    ACS Chem Neurosci 13, 3168-3179 (2022) 
  • Rezaei-Ghaleh N 
    Water Dynamics in Highly Concentrated Salt Solutions: A Multi-Nuclear NMR Approach 
    ChemistryOpen 11, e202200080 (2022) 
  • Rezaei-Ghaleh N, Agudo-Canalejo J, Griesinger C, Golestanian R 
    Molecular Diffusivity of Click Reaction Components: The Diffusion Enhancement Question 
    J Am Chem Soc 144, 1380-1388 (2022) 
  • Rezaei-Ghaleh N, Agudo-Canalejo J, Griesinger C, Golestanian R 
    Response to Comment on "Following Molecular Mobility during Chemical Reactions: No Evidence for Active Propulsion" and "Molecular Diffusivity of Click Reaction Components: The Diffusion Enhancement Question" 
    J Am Chem Soc 144, 13441-13445 (2022) 
  • Sieme D, Griesinger C, Rezaei-Ghaleh N 
    Metal Binding to Sodium Heparin Monitored by Quadrupolar NMR 
    Int J Mol Sci 23, 13185 (2022) 
  • Bocharov, E. V., L. Gremer, A. S. Urban, I. S. Okhrimenko, P. E. Volynsky, K. D. Nadezhdin, O. V. Bocharova, D. A. Kornilov, Y. A. Zagryadskaya, A. V. Kamynina, P. K. Kuzmichev, J. Kutzsche, N. Bolakhrif, A. Müller-Schiffmann, N. A. Dencher, A. S. Arseniev, R. G. Efremov, V. I. Gordeliy and D. Willbold 
    All-d-Enantiomeric Peptide D3 Designed for Alzheimer’s Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-β Precursors. 
    Journal of Medicinal Chemistry , (2021) 
  • Cukkemane A, Becker N, Zielinski M, Frieg B, Lakomek NA, Heise H, SchröderGF, Willbold D, Weiergräber OH 
    Conformational heterogeneity coupled with β-fibril formation of a scaffold protein involved in chronic mental illnesses 
    Transl Psychiatry 11, 639 (2021) 
  • Dubey A, Stoyanov N, Viennet T, Chhabra S, Elter S, Borggräfe J, Viegas A, Nowak RP, Burdzhiev N, Petrov O, Fischer ES, Etzkorn M, Gelev V, Arthanari H 
    Local Deuteration Enables NMR Observation of Methyl Groups in Proteins from Eukaryotic and Cell-Free Expression Systems  
    Angew. Chem. Int. Ed. 60, 13783 (2021) 
  • Freischem S, Grimm I, López-Pérez A, Willbold D, Klenke B, Vuong C, DingleyAJ, Weiergräber OH 
    Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria 
    Biomolecules 11, 1057 (2021) 
  • König AS, Rösener NS, Gremer L, Tusche M, Flender D, Reinartz E, Hoyer W, Neudecker P, Willbold D, Heise H 
    Structural details of amyloid β oligomers in complex with human prion protein as revealed by solid-state MAS NMR spectroscopy 
    J Biol Chem 296, 100499 (2021) 
  • Mamone S, Glöggler S, Becker S, Rezaei-Ghaleh N 
    Early Divergence in Misfolding Pathways of Amyloid-Beta Peptides 
    ChemPhysChem 22, 2158-2163 (2021) 
  • Rosenbach H, Borggräfe J, Victor J, Wuebben C, Schiemann O, Hoyer W, Steger G, Etzkorn M, Span I 
    Influence of monovalent metal ions on metal binding and catalytic activity of the 10–23 DNAzyme 
    Biological Chemistry 402, 99-111 (2021) 
  • Vemulapalli SPB, Becker S, Griesinger C, Rezaei-Ghaleh N 
    Combined High-Pressure and Multiquantum NMR and Molecular Simulation Propose a Role for N-Terminal Salt Bridges in Amyloid-Beta 
    J Phys Chem Lett 12, 9933-9939 (2021) 
  • Rosenbach H, Victor J, Borggräfe J, Biehl R, Steger G, Etzkorn M, Span I. 
    Expanding crystallization tools for nucleic acid complexes using U1A protein variants 
    Journal of Structural Biology 210, 107480 (2020) 
  • Rösener NS, Gremer L, Wördehoff MM, Kupreichyk T, Etzkorn M, Neudecker P, Hoyer W 
    Clustering of human prion protein and α-synuclein oligomers requires the prion protein Nterminus 
    Commun. Biol. 3, 365 (2020) 
  • Viegas A, Dollinger P, Verma N, Kubiak J, Viennet T, Seidel CAM, Gohlke H, Etzkorn M, Kovacic F, Jaeger KE 
    Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation  
    Sci Rep 10, 3578 (2020) 
  • Viegas A, Yin DM, Borggräfe J, Viennet T, Falke M, Schmitz A, Famulok M, Etzkorn M 
    Molecular Architecture of a Network of Potential Intracellular EGFR Modulators: ARNO, CaM, Phospholipids, and the Juxtamembrane Segment 
    Structure 28, 1-9 (2020) 
  • Krichel C, Möckel C, Schillinger O, Huesgen PF, Sticht H, Strodel B, Weiergräber OH, Willbold D, Neudecker P 
    Solution structure of the autophagy-related protein LC3C reveals a polyproline II motif on a mobile tether with phosphorylation site 
    Sci Rep 9, 14167 (2019) 
  • Kukuk L, Dingley AJ, Granzin J, Nagel-Steger L, Thiagarajan-RosenkranzP, Ciupka D, Hänel K, Batra-Safferling R, Pacheco V, Stoldt M, PfefferK, Beer-Hammer S, Willbold D, Koenig BW 
    Structure of the SLy1 SAM homodimer reveals a new interface for SAM domain self-association 
    Scientific Reports 9, 54 (2019) 
  • Schwarten M, Weiergräber OH, Petrović D, Strodel B, Willbold D 
    Structural Studies of Autophagy-Related Proteins 
    Methods Mol Biol 1880, 17-56 (2019) 
  • Viennet T, Bungert-Pümke S, Elter S, Viegas A, Fahlke C, Etzkorn M 
    Reconstitution and NMR characterization of the ion-channel accessory subunit barttin in detergents and lipid-bilayer nanodiscs 
    Frontiers in Molecular Biosciences 6, 13 (2019) 
  • Caruso IP, Panwalkar V, Coronado MA, Dingley AJ, Cornélio ML, Willbold D, Arni RK, Eberle RJ 
    Structure and interaction of Corynebacterium pseudotuberculosis cold shock protein A with Y-box single-stranded DNA fragment 
    FEBS J 285, 372-390 (2018) 
  • Cavini IA, Munte CE, Erlach MB, van Groen T, Kadish I, Zhang T, Ziehm T, Nagel-Steger L, Kutzsche J, Kremer W, Willbold D, Kalbitzer HR. 
    Inhibition of amyloid Aβ aggregation by high pressures or specific d-enantiomeric peptides. 
    Chem Commun (Camb). 54(26), 3294-3297 (2018) 
  • Rösener NS, Gremer L, Reinartz E, König A, Brener O, Heise H, Hoyer W, Neudecker P, Willbold D 
    A d-enantiomeric peptide interferes with heteroassociation of amyloid-β oligomers and prion protein 
    J. Biol. Chem. 293, 15748-15764 (2018) 
  • Santur K, Sevenich M, Schwarten M, Nischwitz V, Willbold D, Mohrlüder J 
    In Vitro Reconstitution of the Highly Active and Natively Folded Recombinant Human Superoxide Dismutase 1 Holoenzyme 
    ChemistrySelect 3, 7627-7632 (2018) 
  • Schulte M, Panwalkar V, Freischem S, Willbold D, Dingley, AJ 
    Proline restricts loop 1 conformation of the high affinity WW domain from human Nedd4-1 to a ligand binding-competent type 1 beta-turn 
    J Phys Chem B 122, 4219-4230 (2018) 
  • Schulte M, Petrović D, Neudecker P, Hartmann R, Pietruszka J, Willbold S, Willbold D, Panwalkar V 
    Conformational sampling of the intrinsically disordered C-terminal tail of DERA is important for enzyme catalysis 
    ACS Catal 8, 3971-3984 (2018) 
  • Uluca B, Viennet T, Petrovic D, Shaykhalishahi H, Weirich F, Gönülalan A, Strodel B, Etzkorn M, Hoyer W, Heise H 
    DNP-Enhanced MAS NMR: A Tool to Snapshot Conformational Ensembles of α-Synuclein in Different States 
    Biophys. J. 114, 1614-1623 (2018) 
  • Viennet T, Wördehoff MW, Uluca B, Poojari C, Shaykhalishahi H, Willbold D, Strodel B, Heise H, Buell AK, Hoyer W, Etzkorn M: 
    Structural insights from lipid-bilayer nanodiscs link α-Synuclein membrane-binding modes to amyloid fibril formation 
    Commun. Biol. 1, 44 (2018) 
  • Boeske A, Schwarten M, Ma P, Tusche M, Mötter J, Möller C, Neudecker P, Hoffmann S, Willbold D 
    Direct binding to GABARAP family members is essential for HIV-1 Nef plasma membrane localization 
    Scientific Reports 7, 5979 (2017) 
  • Caruso IP, Panwalkar V, Coronado MA, Dingley AJ, Cornélio ML, Willbold D, Arni RK, Eberle RJ. 
    NMR studies of cold shock protein A from Corynebacterium pseudotuberculosis: structure and interaction with Y-box single-stranded DNA fragment. 
    FEBS J. 285, 372-390 (2017) 
  • Dammers C, Reiss K, Gremer L, Lecher J, Ziehm T, Stoldt M, Schwarten M, Willbold D.  
    Pyroglutamate-modified amyloid-β(3-42) shows α-helical intermediates before amyloid formation. 
    Biophys. J. 112, 1621-1633 (2017) 
  • Dammers C, Schwarten M, Buell AK, Willbold D 
    Pyroglutamate-modified Aβ(3-42) affects aggregation kinetics of Aβ(1-42) by accelerating primary and secondary pathways 
    Chem. Sci. 8, 4996-5004 (2017) 
  • Gremer L, Schölzel D, Schenk C, Reinartz E, Labahn J, Ravelli RB, Tusche M, Lopez-Iglesias C, Hoyer W, Heise H, Willbold D, Schröder GF 
    Fibril structure of amyloid-ß(1-42) by cryoelectron microscopy 
    Science 358, 116-119 (2017) 
  • Panwalkar V, Neudecker P, Willbold D, Dingley AJ. 
    Multiple WW domains of Nedd4-1 undergo conformational exchange that is quenched upon peptide binding. 
    FEBS Lett. 591(11), 1573-1583 (2017) 
  • Weiergräber OH, Schwarten M, Strodel B, Willbold D.  
    Investigating Structure and Dynamics of Atg8 Family Proteins. 
    Methods Enzymol 587, 115-142 (2017) 
  • Dick M, Hartmann R, Weiergräber OH, Bisterfeld C, Classen T, Schwarten M, Neudecker P, Willbold D, Pietruszka J. 
    Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies. 
    Chem. Sci. 7, 4492-4502 (2016) 
  • Krichel C, Weiergräber OH, Pavlidou M, Mohrlüder J, Schwarten M, Willbold D, Neudecker P 
    Sequence-specific 1H, 15N, and 13C resonance assignments of the autophagy-related protein LC3C 
    Biomol NMR Assign 10, 41-43 (2016) 
  • Lühmann N, Niu A, Allgaier J, Stellbrink J, Zorn R, Linnolahti M, Willbold S, Koenig BW, Grillo I, Richter D, Fetters LJ. 
    The initiation mechanism of butadiene polymerization in aliphatic hydrocarbons: A full mechanistic approach.  
    Macromolecules 49, 5397-5406 (2016) 
  • Mirecka EA, Feuerstein S, Gremer L, Schröder GF, Stoldt M, Willbold D, Hoyer W. 
    β-Hairpin of Islet Amyloid Polypeptide Bound to an Aggregation Inhibitor 
    Sci. Rep. 6, 33474 (2016) 
  • Panwalkar V, Neudecker P, Schmitz M, Lecher J, Schulte M, Medini K, Stoldt M, Brimble MA, Willbold D, Dingley AJ. 
    The Nedd4-1 WW Domain Recognizes the PY Motif Peptide through Coupled Folding and Binding Equilibria 
    Biochemistry 55, 659-674 (2016) 
  • Panwalkar V, Schulte M, Lecher J, Stoldt M, Willbold D, Dingley AJ 
    Data describing the solution structure of the WW3* domain from human Nedd4-1 
    Data Brief 22;8, 605-12 (2016) 
  • Röllen K, Granzin J, Panwalkar V, Arinkin V, Rani R, Hartmann R, Krauss U, Jaeger KE, Willbold D, Batra-Safferling R. 
    Signaling States of a Short Blue-Light Photoreceptor Protein PpSB1-LOV Revealed from Crystal Structures and Solution NMR Spectroscopy. 
    J Mol Biol. 428, 3721 - 3736 (2016) 
  • Viegas A, Viennet T, Etzkorn M 
    The power, pitfalls and potential of the nanodisc system for NMR-based studies  
    Biol. Chem. 397, 1335–1354 (2016) 
  • Viegas A, Viennet T, Yu TY, Schumann F, Bermel W, Wagner G, Etzkorn M 
    UTOPIA NMR: activating unexploited magnetization using interleaved low-gamma detection. 
    J. Biomol. NMR 64, 9-15 (2016) 
  • Viennet T, Viegas A, Kuepper A, Arens S, Gelev V, Petrov O, Grossmann TN, Heise H, Etzkorn M 
    Selective Protein Hyperpolarization in Cell Lysates Using Targeted Dynamic Nuclear Polarization 
    Angew. Chem. Int. Ed. 55, 10746–10750 (2016) 
    (selected as inside cover article)  
  • Weirich F, Gremer L, Mirecka EA, Schiefer S, Hoyer W, Heise H 
    Structural Characterization of Fibrils from Recombinant Human Islet Amyloid Polypeptide by Solid-State NMR: The Central FGAILS Segment Is Part of the β-Sheet Core 
    PLOS One 11, e0161243 (2016) 
  • Dammers C, Gremer L, Neudecker P, Demuth HU, Schwarten M, Willbold D 
    Purification and Characterization of Recombinant N-Terminally Pyroglutamate-Modified Amyloid-β Variants and Structural Analysis by Solution NMR Spectroscopy 
    PLoS One 10, e0139710 (2015) 
  • Dammers C, Gremer L, Reiß K, Klein AN, Neudecker P, Hartmann R, Sun N, Demuth HU, Schwarten M, Willbold D 
    Structural Analysis and Aggregation Propensity of Pyroglutamate Aβ(3-40) in Aqueous Trifluoroethanol  
    PLoS One 10, e0143647 (2015) 
  • Hung Y-F, Schwarten M, Hoffmann S, Willbold D, Sklan EH, Koenig BW 
    Amino Terminal Region of Dengue Virus NS4A Cytosolic Domain Binds to Highly Curved Liposomes 
    Viruses 7, 4119-4130 (2015) 
  • Hung Y-F, Schwarten M, Schünke S, Thiagarajan-Rosenkranz P, Hoffmann S, Sklan EH, Willbold D, Koenig BW 
    Dengue virus NS4A cytoplasmic domain binding to liposomes is sensitive to membrane curvature 
    BBA - Biomembranes 1848, 1119-1126 (2015) 
  • Kahlert UD, Koch K, Hartmann R, Suwala AK, Cheng M, Maciaczyk D, Eberhart CG, Willbold D, Glunde K, Maciaczyk J 
    The effect of neurosphere culture conditions on cellular metabolism of glioma cells. 
    Folia Neuropathologica 53, 219-225 (2015) 
  • Ma P, Schillinger O, Schwarten M, Lecher J, Hartmann R, Stoldt M, Mohrlüder J, Olubiyi O, Strodel B, Willbold D, Weiergräber OH 
    Conformational Polymorphism in Autophagy-Related Protein GATE-16 
    Biochemistry 54, 5469-5479 (2015) 
  • Ma P, Xue Y, Coquelle N, Haller JD, Yuwen T, Ayala I, Mikhailovskii O, Willbold D, Colletier J-P, Skrynnikov NR, Schanda P 
    Observing the overall rocking motion of a protein in a crystal. 
    Nat. Commun. 6, 8361 (2015) 
  • Michel M, Schwarten M, Decker C, Nagel-Steger L, Willbold D, Weiergräber OH 
    The mammalian autophagy initiator complex contains 2 HORMA domain proteins 
    Autophagy 11, 2300-2308 (2015) 
  • Shaykhalishahi H, Gauhar A, Wördehoff MM, Grüning CS, Klein A, Bannach O, Stoldt M, Willbold D, Härd T, Hoyer W 
    Contact between the beta1 and beta2 segments of alpha-synuclein that inhibits amyloid formation 
    Angew. Chem. Int. Ed. 54, 8837-8840 (2015) 
  • Shaykhalishahi H, Mirecka EA, Gauhar A, Grüning CSR, Willbold D, Härd T, Stoldt M, Hoyer W 
    A beta-hairpin-binding protein for three different disease-related amyloidogenic proteins 
    ChemBioChem 16, 411-414 (2015) 
  • Solyom Z, Ma P, Schwarten M, Bosco M, Polidori A, Durand G, Willbold D, Brutscher B 
    The Disordered Region of the HCV Protein NS5A: Conformational Dynamics, SH3 Binding, and Phosphorylation. 
    Biophys. J. 109, 1483-1496 (2015) 
  • Aladag A, Hoffmann S, Stoldt M, Bösing C, Willbold D, Schwarten M 
    Hepatitis C virus NS5A is able to competitively displace c-Myc from the Bin1 SH3 domain in vitro 
    J. Pept. Science 20, 334-340 (2014) 
  • Elter S, Raschle T, Arens S, Viegas A, Gelev V, Etzkorn M, Wagner G 
    The use of amphipols for NMR structural characterization of 7-TM proteins 
    J. Membr. Biol. 247, 957-964 (2014) 
  • Etzkorn M, Zoonens M, Catoire LJ, Popot JL, Hiller S 
    How Amphipols Embed Membrane Proteins: Global Solvent Accessibility and Interaction with a Flexible Protein Terminus 
    J. Membr. Biol. 247, 965-970 (2014) 
  • Grüning CS, Mirecka EA, Klein AN, Mandelkow E, Willbold D, Marino SF, Stoldt M, Hoyer W 
    Alternative conformations of the tau repeat domain in complex with an engineered binding protein 
    J. Biol. Chem. 289, 23209-23218 (2014) 
  • Ma P, Haller JD, Zajakala J, Macek P, Sivertsen AC, Willbold D, Boisbouvier J, Schanda P 
    Probing transient conformational States of proteins by solid-state r1ρ relaxation-dispersion NMR spectroscopy. 
    Angew. Chem. Int. Ed. Engl. 53, 4312–4317 (2014) 
  • Mirecka EA, Shaykhalishahi H, Gauhar A, Akgül S, Lecher J, Willbold D, Stoldt M, Hoyer W 
    Sequestration of a beta-hairpin for control of alpha-synuclein aggregation 
    Angew. Chem. Int. Ed. 53, 4227-4230 (2014) 
  • Müller H, Brener O, Andreoletti O, Piechatzek T, Willbold D, Legname G, Heise H 
    Progress toward structural understanding of infectious sheep PrP-amyloid 
    Prion 8, 344-358 (2014) 
  • Bobby R, Medini K, Neudecker P, Lee TV, Brimble MA, McDonald FJ, Lott JS, Dingley AJ 
    Structure and dynamics of human Nedd4-1 WW3 in complex with the αENaC PY motif 
    Biochim Biophys Acta 1834, 1632-41 (2013) 
  • Do H, Wittlich M, Glück JM, Möckel L, Willbold D, Koenig BW, Heise H 
    Full-length Vpu and human CD4(372-433) in phospholipid bilayers as seen by magic angle spinning NMR. 
    Biol. Chem. 394, 1453-1463 (2013) 
  • Ma P, Schwarten M, Schneider L, Boeske A, Henke N, Lisak D, Weber S, Mohrlüder J, Stoldt M, Strodel B, Methner A, Hoffmann S, Weiergräber OH, Willbold D 
    Interaction of Bcl-2 with the autophagy-related GABAA receptor-associated protein (GABARAP): Biophysical characterization and functional implications 
    J Biol Chem 288, 37204-37215 (2013) 
  • Rani R, Jentzsch K, Lecher L, Hartmann R, Willbold D, Jaeger K-E, Krauss U 
    Conservation of dark recovery kinetic parameters and structural features in the Pseudomonadaceae “short” LOV protein family – implications for the design of LOV-based optogenetic tools. 
    Biochemistry 52, 4460-4473 (2013) 
  • Schünke S, Stoldt M 
    Structural snapshot of cyclic nucleotide binding domains from cyclic nucleotide-sensitive ion channels 
    Biol Chem. 394, 1439-1451 (2013) 
  • Schwarten M, Solyom Z, Feuerstein S, Aladag A, Hoffmann S, Willbold D, Brutscher B 
    Interaction of non-structural protein 5A of hepatitis C virus with SH3 domains using non-canonical binding sites 
    Biochemistry 52, 6160-6168 (2013) 
  • Solyom Z, Schwarten M, Geist L, Konrat R, Willbold D, Brutscher B 
    BEST-TROSY experiments for time-efficient sequential resonance assignment of large disordered proteins 
    J. Biomol. NMR 55, 311-221 (2013) 
  • Vasudevan AA, Smits SH, Hoeppner A, Haeussinger D, Koenig BW, Muenk C 
    Structural features of antiviral DNA cytidine deaminases 
    Biological Chemistry 394, 1357 - 1370 (2013) 
  • Feuerstein S, Plevin MJ, Willbold D, Brutscher B 
    iHADAMAC: a complementary tool for sequential resonance assignment of globular and highly disordered protein. 
    J. Magn. Res. 214, 329-334 (2012) 
  • Feuerstein S, Solyom Z, Aladag A, Favier A, Schwarten M, Hoffmann S, Willbold D, Brutscher B 
    Transient structure and SH3 interaction sites in an intrinsically disordered fragment of the hepatitis C virus protein NS5A. 
    J. Mol. Biol. 420, 310-323 (2012) 
  • Holze R, Jacob T, Schünke S, Neudecker P, Willbold D 
    Physical Chemistry 2011 
    Nachr. Chemie 60, 313-322 (2012) 
  • Koenig BW, Schünke S, Stoldt M, Willbold D 
    NMR methods for the determination of protein-ligand interactions. 
    Protein-Ligand Interactions" (Editor: H. Gohlke) (series "Methods and Principles in Medicinal Chemistry"), Wiley-VCH; ISBN: 3-527-32966-8, (2012) 
  • Lecher J, Schwarz CKW, Stoldt M, Smits SHJ, Willbold D, Schmitt L 
    RTX toxin transporters tether its substrate prior to secretion via the unique function of its N- terminal domain. 
    Structure 20, 1778-1787 (2012) 
  • Neudecker P, Robustelli P, Cavallli A, Walsh P, Lundstrom P, Zarrine-Afsar A, Sharpe S, Vendruscolo M, Kay LE 
    Structure of an intermediate state in protein folding and aggregation. 
    Science 336, 362-366 (2012) 
  • Singh S, Möckel L, Thiagarajan-Rosenkranz P, Wittlich M, Willbold D, Koenig B 
    Mapping the interaction between the cytoplasmic domains of HIV-1 VpU and human CD4 using NMR spectroscopy. 
    FEBS J. 279, 3705-3714 (2012) 
  • Sun N, Hartmann R, Lecher J, Stoldt M, Funke SA, Gremer L, Ludwig H-H, Demuth H-U, Kleinschmidt M, Willbold D 
    Structural analysis of the pyroglutamate modified isoform of the Alzheimer's disease related beta-amyloid using NMR spectroscopy. 
    J. Pept. Science 18, 691-695 (2012) 
  • Wang W, Pacheco V, Krause H-J, Zhang Y, Dong H, Hartmann R, Willbold D, Offenhaeusser A, Gu Z 
    Size and compositional effects on contrast efficiency of functionalized superparamagnetic nanoparticles at ultralow and ultrahigh magnetic fields. 
    J. Phys. Chem. C 116, 17880-17884 (2012) 
  • Feuerstein S, Solyom Z, Aladag A, Hoffmann S, Willbold D, Brutscher B 
    1H, 13C, and 15N resonance assignment of a 179 residue fragment of hepatitis C virus nonstructural protein 5A 
    Biomol. NMR Assign. 53, 241-243 (2011) 
  • Glück JM 
    Ligand interaction analysis of membrane-anchored proteins. 
    Schriften des Forschungszentrums Jülich Reihe Gesundheit, Band 31, (2011) 
  • Lecher J, Stoldt M, Schwarz CKW, Smits SHJ, Schmitt L, Willbold D 
    ¹H, ¹⁵N and ¹³C resonance assignment of the N-terminal C39 peptidase-like domain of the ABC transporter Haemolysin B (HlyB). 
    Biomol. NMR Assign. 53, 199-201 (2011) 
  • Schünke S, Stoldt M, Lecher J, Kaupp UB, Willbold D 
    Structural insights into conformational changes of a cyclic nucleotide-binding domain in solution from Mesorhizobium loti K1 channel. 
    Proc. Natl. Acad. Sci. USA 108, 6121-6126 (2011) 
  • Seebahn A, Dinkel H, Mohrlüder J, Hartmann R, Vogel N, Becker CM, Sticht H, Enz R 
    Structural characterization of intracellular C-terminal domains of group III metabotropic glutamate receptors 
    FEBS Lett 585, 511-516 (2011) 
  • Wang W, Dong H, Pacheco V, Willbold D, Zhang Y, Offenhausser A, Hartmann R, Weirich T, Ma P, Krause H, Gu Z 
    Relaxation behavior study of ultra-small superparamagnetic iron oxide nanoparticles at ultra-low and ultra-high magnetic fields. 
    J. Phys. Chem.B 115, 14789-14793 (2011) 
  • Luheshi LM, Hoyer W, de Barros TP, van Dijk-Härd I, Brorsson AC, Macao B, Persson C, Crowther DC, Lomas DA, Ståhl S, Dobson CM, Härd T 
    Sequestration of the Abeta peptide prevents toxicity and promotes degradation in vivo 
    PLoS Biol. 8, e1000334 (2010) 
  • Ma P, Mohrlüder J, Schwarten M, Stoldt M, Singh SK, Hartmann R, Pacheco V, Willbold D 
    Preparation of a functional GABARAP-lipid conjugate in nanodiscs and its investigation by solution NMR spectroscopy 
    Chembiochem 11, 1967-1970 (2010) 
  • Pacheco V, Ma P, Thielmann Y, Hartmann R, Weiergräber OH, Mohrlüder J, Willbold D 
    Assessment of GABARAP self-association by its diffusion properties 
    J Biomol NMR 48, 49-58 (2010) 
  • Schünke S, Lecher J, Stoldt M, Kaupp UB, Willbold D 
    Resonance assignments of the nucleotide-free wildtype MloK1 cyclic nucleotide-binding domain. 
    Biomol. NMR Assign. 4, 147-150 (2010) 
  • Schwarten M, Stoldt M, Mohrlüder J, Willbold D 
    Solution structure of Atg8 reveals conformational polymorphism of the N-terminal domain 
    Biochem Biophys Res Commun 395, 426-431 (2010) 
  • Smits SHJ, Meyer T, Mueller A, van Os N, Stoldt M, Willbold D, Schmitt L, Grieshaber MK 
    Insights into the Mechanism of Ligand Binding to Octopine Dehydrogenase from Pecten maximus by NMR and Crystallography 
    PLoS ONE 5, e12312 (2010) 
  • Wittlich M, Thiagarajan P, Koenig BW, Hartmann R, Willbold D 
    NMR structure of the transmembrane and cytoplasmic domains of human CD4 in micelles. 
    Biochim Biophys Acta 1798, 122-127 (2010) 
  • Feuerstein SE, Pulvermüller A, Hartmann R, Granzin J, Stoldt M, Henklein P, Ernst OP, Heck M, Willbold D, Koenig BW 
    Helix formation in Arrestin accompanies recognition of photoactivated Rhodopsin. 
    Biochemsitry 48, 10733-42 (2009) 
  • Glück JM, Wittlich M, Feuerstein S, Hoffmann S, Willbold D, Koenig BW 
    Integral membrane proteins in nanodiscs can be studied by solution NMR spectroscopy. 
    J. Am. Chem. Soc. 131, 12060-61 (2009) 
  • Leliveld SR, Hendriks P, Michel M, Sajnani G, Bader V, Trossbach S, Prikulis I, Hartmann R, Jonas E, Willbold D, Requena JR, Korth C 
    Oligomer assembly of the C-terminal DISC1 domain (640-854) is controlled by self-association motifs and disease-associated polymorphism S704C. 
    Biochemistry 48, 7746-7755 (2009) 
  • Mangels C, Frank AO, Ziegler J, Klingenstein R, Schweimer K, Willbold D, Korth C, Rösch P, Schwarzinger S 
    Binding of TCA to the prion protein: mechanism, implication for therapy, and application as probe for complex formation of bio-macromolecules. 
    J. Biomol. Struct. Dyn. 27, 163-170 (2009) 
  • Schünke S, Stoldt M, Novak K, Kaupp UB, Willbold D 
    Solution structure of the M.loti K1 channel cyclic nucleotide binding domain in complex with cAMP. 
    EMBO Rep. 10, 729-735 (2009) 
  • Schwarten M, Mohrlüder J, Ma P, Stoldt M, Thielmann Y, Stangler T, Hersch N, Hoffmann B, Merkel R, Willbold D 
    Nix directly binds to GABARAP: a possible crosstalk between apoptosis and autophagy 
    Autophagy 5, 690-698 (2009) 
  • Schwarten M, Stoldt M, Mohrlüder J, Willbold D 
    Sequence-specific 1H, 13C, and 15N resonance assignment of the autophagy-related protein Atg8 
    Biomol NMR Assign 3, 137-139 (2009) 
  • Thielmann Y, Weiergräber OH, Mohrlüder J, Willbold D 
    Structural framework of the GABARAP-calreticulin interface - implications for substrate binding to endoplasmic reticulum chaperones 
    FEBS J 276, 1140-1152 (2009) 
  • Wittlich M, Koenig BW, Stoldt M, Schmidt H, Willbold D 
    NMR structural characterization of HIV-1 virus protein U cytoplasmic domain in the presence of dodecylphosphatidylcholine micelles. 
    FEBS J. 276, 6560-75 (2009) 
  • Hartmann R, Koenig BW, Stangler T, Willbold D 
    Structural Proteomics: Exploring Protein-Ligand Interactions by Solution NMR. 
    in 'Proteomics Sample Preparation', J. v. Hagen, Wiley-VCH , 273-281 (2008) 
  • Mueller CB, Loman A, Pacheco V, Koberling F, Willbold D, Richtering W, Enderlein J 
    Precise measurement of diffusion by multi-color dual-focus fluorescence correlation spectroscopy. 
    Europhys. Lett. 83, 46001 (2008) 
  • Thielmann Y, Mohrlüder J, Koenig BW, Stangler T, Hartmann R, Becker K, Höltje HD, Willbold D 
    An indole binding site is a major determinant of the ligand specificity of the GABA type A receptor-associated protein GABARAP 
    Chembiochem 9, 1767-1775 (2008) 
  • Weiergräber OH, Stangler T, Thielmann Y, Mohrlüder J, Wiesehan K, Willbold D 
    Ligand binding mode of GABAA receptor-associated protein 
    J Mol Biol 381, 1320-1331 (2008) 
  • Wittlich M, Koenig BW, Willbold D 
    Structural consequences of phosphorylation of two serine residues in the cytoplasmic domain of HIV-1 VpU. 
    J. Pept. Sci. 14, 804-10 (2008) 
  • Koenig BW 
    Residual dipolar couplings report on the active conformation of rhodopsin-bound protein fragments. 
    In: 'Topics in Current Chemistry', vol. 272, Bioactive Conformation I. T. Peters, editor. Springer-Verlag Berlin Heidelberg , 187-215 (2007) 
  • Mohrlüder J, Hoffmann Y, Stangler T, Hänel K, Willbold D 
    Identification of clathrin heavy chain as a direct interaction partner for the gamma-aminobutyric acid type A receptor associated protein 
    Biochemistry 46, 14537-14543 (2007) 
  • Mohrlüder J, Stangler T, Wiesehan K, Hoffmann Y, Mataruga A, Willbold D 
    Identification of calreticulin as a ligand of GABARAP by phage display screening of a peptide library 
    FEBS J 274, 5543-5555 (2007) 
  • Scheidt HA, Vogel A, Eckhoff A, Koenig BW, Huster D 
    Solid state NMR characterization of the putative membrane anchor of TWD1 from Arabidopsis thaliana. 
    Eur. Biophys. J. 36, 393-404 (2007) 
  • Schmidt H, Hoffmann S, Tran T, Stoldt M, Stangler T, Wiesehan K, Willbold D 
    Solution structure of a Hck SH3 domain ligand complex reveals novel interaction modes. 
    J. Mol. Biol. 365, 1517-1532 (2007) 
  • Schünke S, Novak K, Stoldt M, Kaupp UB, Willbold D 
    Resonance assignment of the cyclic nucleotide binding domain from a cyclic nucleotide-gated K+ channel in complex with cAMP. 
    Biomol. NMR Assign. 1, 179-181 (2007) 
  • Spiess HW, Jeschke G, Koenig BW, Willbold D 
    Magnetische Resonanzspektroskopie. 
    Nachr. Chemie 55, 288-293 (2007) 
  • Stangler T, Hartmann R, Willbold D, Koenig BW 
    Modern high resolution NMR for the study of structure, dynamics and interactions of biological macromolecules. 
    In: 'Progress in Physical Chemistry', Vol. 1 / Different Aspects of Intermolecular Interaction, Oldenbourg, München , 111-157 (2007) 
  • Stangler T, Tran T, Hoffmann S, Schmidt H, Jonas E, Willbold D 
    Competitive displacement of full-length HIV-1 Nef from Hck SH3 domain by a high affinity artificial peptide. 
    Biol. Chem. 388, 611-615 (2007) 
  • Wittlich M, Koenig BW, Hoffmann S, Willbold D 
    Structural characterisation of the transmembrane and cytoplasmic domains of human CD4. 
    Biochim Biophys Acta 1768, 2949-60 (2007) 
  • Batra-Safferling R, Abaraca-Heidemann K, Körschen HG, Tziatzios C, Stoldt M, Budyak I, Willbold D, Schwalbe H, Klein-Seetharaman J, Kaupp UB 
    Glutamic acid-rich proteins of rod photoreceptors are natively unfolded. 
    J Biol Chem 281, 1449-1460 (2006) 
  • Hänel K, Stangler T, Stoldt M, Willbold D 
    Solution structure of the X4 protein coded by the SARS related coronavirus reveals an immunoglobulin like fold and suggests a binding activity to integrin I domains. 
    J. Biomed. Sci. 13, 281-293 (2006) 
  • Stangler T, Hartmann R, Willbold D, Koenig BW 
    Modern high resolution NMR for the study of structure, dynamics and interactions of biological macromolecules. 
    Z. Phys. Chem. 220, 567-613 (2006) 
  • Briese L, Preusser A, Willbold D 
    Mapping the binding site of full length HIV-1 Nef on human Lck SH3 by NMR spectroscopy. 
    J. Biomed. Sci. 12, 451-456 (2005) 
  • Koenig BW, Gawrisch K 
    Lipid ethanol interaction studied by NMR on bicelles. 
    J. Phys. Chem. B. 109, 7540-47 (2005) 
  • Niu AZ, Stellbrink J, Allgaier J, Willner L, Radulescu A, Richter D, Koenig BW, May RP, Fetters LJ 
    An in situ study of the t-butyllithium initiated polymerization of butadiene in d-heptane via small angle neutron scattering and H-NMR. 
    J. Chem. Phys. 122, 134906 (2005) 
  • Willbold D 
    Interaction of HIV-1 Nef with human CD4 and Lck. 
    in 'Viral membrane proteins: structure, function and drug design', W. Fischer, ed. Kluwer Academic Publishers, New York , (2005) 
  • Stoldt M, Kupce E, Rehm BHA, Görlach M 
    Backbone resonance assignemnt of an aminogycoside-3'-phosphotransferase type IIa. 
    J. Biomol. NMR 28, 93-94 (2004) 
  • Willbold D, Koenig BW 
    NMR Analysis of Biopolymer Structure. 
    In 'Physics meets Biology: From Soft Matter to Cell Biology', G. Gompper, UB. Kaupp, JKG Dhont, D Richter, RG Winkler,eds. , B3.1-B3.14 (2004) 
  • Briese L and Willbold D 
    Structure determination of human Lck unique and SH3 domains by nuclear magentic resonance spectroscopy. 
    BMC Struct. Biol. 3, 3 (2003) 
  • Koenig BW, Rogowski M, Louis JM 
    A rapid method to attain isotope labeled small soluble peptides for NMR studies. 
    J. Biomol. NMR 26, 193-202 (2003) 
  • Engler A, Stangler T, Willbold D 
    Structure of human immunodeficiency virus type 1 Vpr (34-51) peptide in micelle containing aqueous solution. 
    Eur. J. Biochem. 269, 3264-3269 (2002) 
  • Gawrisch K, Koenig BW 
    Lipid-peptide interactions investiagted by NMR. 
    In: 'Current Topics in Membranes. Vol. 52: Peptide-lipid interactions' S.A. Simon and T. J. McIntosh, Eds., Academic Press, San Diego , 163-190 (2002) 
  • Koenig BW 
    Structure and orientation of ligands bound to membrane proteins are reflected by residual dipolar couplings in solution NMR experiments. 
    ChemBioChem 3, 975-980 (2002) 
  • Koenig BW, Kontaxis G, Mitchell DC, Louis JM, Litman BJ, Bax A 
    Structure and orientation of a G protein fragment in the receptor bound state from residual couplings. 
    J. Mol. Biol. 322, 441-461 (2002) 
  • Stangler T, Mayr LM, Willbold D 
    Solution structure of the GABAA receptor associated protein GABARAP: Implications for biological function and its regulation. 
    J. Biol. Chem. 277, 13363-13366 (2002) 
  • Briese L, Hoffmann S, Friedrich U, Biesinger B, Willbold D 
    Sequence-specific 1H, 13C and 15N resonance assignments of lymphocyte specific kinase unique and SH3 domains. 
    J. Biomol. NMR 19, 193-194 (2001) 
  • Preusser A, Briese L, Baur AS, Willbold D 
    Direct in vitro binding of full-length HIV-1 Nef protein to CD4 cytoplasmic domain. 
    J. Virol. 75, 3960-3964 (2001) 
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