Department of Biology, Chemistry, Pharmacy/Chemistry and Biochemistry/Chemistry/

Nuclear Magnetic Resonance Unit (NMR unit)

Nuclear Magnetic Resonance Unit (NMR unit)

The NMR Unit provides access to a broad range of nuclear magnetic resonance (NMR) instrumentation and expertise for chemical, biological, and biochemical research. The facility supports the characterization of small molecules and biomolecules as well as a variety of advanced NMR applications, including solution-state and solid-state NMR, DOSY, variable-temperature measurements, and multinuclear NMR.

A range of NMR spectrometers operating at field strengths from 400 to 700 MHz is available for measurements. The instrumentation includes systems equipped for a variety of nuclei and specialized applications. Access to the NMR instruments is available on enquiry and requires mandatory user training.

In addition to NMR measurements, the unit offers elemental analysis (EA) as a service using CHN and CHNS instrumentation. Elemental analysis is provided exclusively as a service and does not require independent instrument operation by users.

NMR and elemental analysis services are available to BioSupraMol users with a valid BSM-ID. Sample hand-over labels for both NMR and elemental analysis can be downloaded below.

Downloads:

For questions regarding instrumentation, measurement options, sample requirements, training, or services, please contact the NMR Unit team.

Dr. Mario Schubert (maschubert(at)zedat.fu-berlin.de) NMR
Jenny Vonhoff (jenny.vonhoff(at)fu-berlin.de) EA

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Dr. Mario Schubert

Ansgar Lüdicke

Jan-Erik Fuhrmann

Instrumentation

Access, booking & data storage

1H, 13C, 15N, and 19F random coil NMR shifts of trifluoromethyl-bearing amino acids

A New Family of Capsule Polymerases Generates Teichoic Acid-Like Capsule Polymers in Gram-Negative Pathogens

A Novel Class of Defensive Compounds in Harvestmen: Hydroxy-γ-Lactones from the Phalangiid Egaenus convexus

A Semivolatile Floral Scent Marks the Shift to a Novel Pollination System in Bromeliads

A catalytically essential motif in the external loop 5 of the bacterial oligosaccharyltransferase PglB

A conformationally stable acyclic β-hairpin scaffold tolerating the incorporation of poorly β-sheet-prone amino acids

A modified strategy for sequence specific assignment of protein NMR spectra based on amino acid type selective experiments

A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule

A new role for FBP21 as regulator of Brr2 helicase activity

A procedure to validate and correct the 13C chemical shift calibration of RNA datasets

A secondary structure element present in a wide range of fucosylated glycoepitopes

A software tool for the prediction of Xaa-Pro peptide bond conformations in proteins based on 13C chemical shift statistics

A strong 13C chemical shift signature provides the coordination mode of histidines in zinc-binding proteins

Amino acid type-selective backbone 15N/ 1H correlations for Arg and Lys

An enzyme-based protocol for cell-free synthesis of nature-identical capsular oligosaccharides from Actinobacillus pleuropneumoniae serotype 1

Analysis of Phosphorylation-dependent Protein Interactions of Adhesion and Degranulation Promoting Adaptor Protein (ADAP) Reveals Novel Interaction Partners Required for Chemokine-directed T cell Migration

Automated and assisted RNA resonance assignment using NMR chemical shift statistics

Backbone distortions in lactam-bridged helical peptides

Beyond formic acid: Peptides in carpenter ant venoms aid in disease protection

Bidirectional binding of invariant chain peptides to an MHC class II molecule

Bridging the gap: A set of selective 15N/ 1H correlations to link sequential neighbors of prolines

Chemical shift-based identification of monosaccharide spin-systems with NMR spectroscopy to complement untargeted glycomics

Chemoenzymatic Synthesis of Glycopeptides to Explore the Role of Mucin 1 Glycosylation in Cell Adhesion

Complete NMR assignment of succinimide, its detection and quantification in peptides and intact proteins

Conformational control of fast asparagine deamidation in a norovirus capsid protein

Cytoplasmic N-glycosyltransferase of Actinobacillus pleuropneumoniae is an inverting enzyme and recognizes the N-X-S/T consensus sequence

D120 and K152 within the PH Domain of T Cell Adapter SKAP55 Regulate Plasma Membrane Targeting of SKAP55 and LFA-1 Affinity Modulation in Human T Lymphocytes

Deceptive Ceropegia sandersonii uses an arabinogalactan for trapping its pollinators

Detecting aspartate isomerization and backbone cleavage after aspartate in intact proteins by NMR spectroscopy

Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes

Diverse floral scents in Malagasy Bulbophyllum evolve in a bounded fashion

Evidence for the recruitment of florivorous plant bugs as pollinators

Exchange catalysis by tapasin exploits conserved and allele-specific features of MHC-I molecules

Exon Inclusion Modulates Conformational Plasticity and Autoinhibition of the Intersectin 1 SH3A Domain

FBP21's C-Terminal Domain Remains Dynamic When Wrapped around the c-Sec63 Unit of Brr2 Helicase

Fine-Tuning hIAPP Amyloidogenesis: Probing Molecular Mechanisms via Fluorinated Core Substitutions

Functional Siglec lectin domains from soluble expression in the cytoplasm of Escherichia coli

Gac/Rsm signal transduction pathway of gamma-proteobacteria: from RNA recognition to regulation of social behaviour

Heteronuclear multi- dimensional NMR-spectroscopy of solubilized membrane proteins: Resonance assignment of native bacteriorhodopsin

How to Study the Structure and Dynamics of Protein-RNA Complexes by NMR Spectroscopy,

Hydrogen/deuterium exchange memory NMR reveals structural epitopes involved in IgE cross-reactivity of allergenic lipid transfer proteins

Identification and quantification of oxidation products in full-length biotherapeutic antibodies by NMR spectroscopy

Impact of 2-hydroxypropyl-β-cyclodextrin inclusion complex formation on dopamine receptor-ligand interaction – A case study

Impact of the amino acid sequence on the conformation of side chain lactam-bridged octapeptides

In silico typing maps the natural diversity of Escherichia coli transporter-dependent capsules

Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer’s disease

Insights into carbohydrate recognition by 3D structure determination of protein- carbohydrate complexes using NMR,

Intrinsically Disordered Protein Ntr2 Modulates the Spliceosomal RNA Helicase Brr2

Investigating the Site-Specific Impact of Fluorine Substitution on Aromatic Interactions in a Tryptophan Zipper Peptide

Kinetics, Thermodynamics, and Structural Effects of Quinoline-2-Carboxylates, Zinc-Binding Inhibitors of New Delhi Metallo-β-lactamase-1 Re-sensitizing Multidrug-Resistant Bacteria for Carbapenems

Laser‐facilitated epicutaneous immunotherapy with hypoallergenic beta‐glucan neoglycoconjugates suppresses lung inflammation and avoids local side effects in a mouse model of allergic asthma

Life as a fortress – structure, function, and adaptive values of morphological and chemical defense in the oribatid mite Euphthiracarus reticulatus (Actinotrichida)

MHC class II complexes sample peptide exchange transition states

MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange

MUSIC and aromatic residues: Amino acid type-selective backbone 15N/ 1H correlations, part III

MUSIC in Triple-Resonence Experiments: Amino Acid Type-Selective 15N/ 1H Correlations

MUSIC, selective pulses and tuned delays: Amino acid type-selective 15N/ 1H correlations, part II

Mix-and-Match System for the Enzymatic Synthesis of Enantiopure Glycerol-3-Phosphate- Containing Capsule Polymer Backbones from Actinobacillus pleuropneumoniae, Neisseria meningitidis, and Bibersteinia trehalosi

Molecular Basis of mRNA Recognition by the Specific Bacterial Repressing Clamp RsmA/CsrA

Molecular basis for the wide-range of affinity found in Csr/Rsm protein-RNA recognition

NMR Investigation of Nanostructured Ceramics

NMR Spectroscopic Characterization of a b-(1,4)-Glycosidase along its Reaction Pathway: Stabilization upon Formation of the Glycosyl-Enzyme Intermediate

NMR spectroscopy: an excellent tool to understand RNA and carbohydrate recognition by proteins

NMR structure determination of a segmentally labeled glycoprotein using in vitro glycosylation

Novel Floral Scent Compounds from Night-Blooming Araceae Pollinated by Cyclocephaline Scarabs (Melolonthidae, Cyclocephalini)

Peptide linkage to the α-subunit of MHCII creates a stably inverted antigen presentation complex

Plasticity of the beta-trefoil protein fold in the recognition and control of invertebrate predators and parasites by a fungal defence system

Posttranslational Modifications of Intact Proteins Detected by NMR Spectroscopy: Application to Glycosylation

Preparation and Structures of Hexaphenyl- and Hexatolyltantalates(V)

Probing Electrostatic Interactions along the Reaction Pathway of a Glycoside Hydrolase: Histidine Characterization by NMR Spectroscopy

Recent advances in segmental isotope labeling of proteins: NMR applications to large proteins and glycoproteins

Requirement of specific intrahelical interactions for stabilizing the inactive conformation of glycoprotein hormone receptors

Solid-state NMR spectroscopy of 10% 13C labeled ubiquitin: spectral simplification and stereospecific assignment of isopropyl groups

Stabilization of branched oligosaccharides: Lewisx benefits from a non-conventional C-H...O hydrogen bond

Stabilizing a mammalian RNA thermometer confers neuroprotection in subarachnoid hemorrhage

Stereochemistry-Driven Interactions of α,γ-Peptide Ligands with the Neuropeptide Y Y4-Receptor

Straightforward Solvothermal Synthesis toward Phase Pure Li2CoPO4F

Structural Characterization of the RNase E S1 Domain and Identification of its Oligonucleotide-binding and Dimerization Interfaces

Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A

Structural basis for sulfation-dependent self-glycan recognition by the human immune- inhibitory receptor Siglec-8

Structural basis of the non-coding RNA RsmZ acting as a protein sponge

Structural insights into proprotein convertase activation facilitate the engineering of highly specific furin inhibitors

Structure determination and dynamics of protein-RNA complexes by NMR spectroscopy

Structure of a protein determined by solid-state magic-angle spinning NMR

Structures of the Inhibitory Receptor Siglec‑8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody

Structure–function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity

Substrate specificity of cytoplasmic N-glycosyltransferase

Susceptibility to HLA-DM protein is determined by a dynamic conformation of major histocompatibility complex class II molecule bound with peptide

Switchable protection and exposure of a sensitive squaraine dye within a redox active rotaxane

Synthesis of 15N labelled 3,5-dimethylpyridine

Target Recognition in Tandem WW Domains: Complex Structures for Parallel and Antiparallel Ligand Orientation in h-FBP21 Tandem WW

Targeting of a helix-loop-helix transcriptional regulator by a short helical peptide

The NMR signature of gluconoylation - a frequent N-terminal modification of isotope-labeled proteins

The NMR signature of maltose‑based glycation in full‑length proteins

The Phosphoglucan Phosphatase Like Sex Four2 Dephosphorylates Starch at the C3-Position in Arabidopsis

The Recombinant Inhibitor of DNA Binding Id2 Forms Multimeric Structures via the Helix-Loop-Helix Domain and the Nuclear Export Signal

Transition transferases prime bacterial capsule polymerization

Two Distinct Conformations in Bet v 2 Determine Its Proteolytic Resistance to Cathepsin S

Unambiguous Determination of the Ionization State of a Glycoside Hydrolase Active Site Lysine by 1H-15N Heteronuclear Correlation Spectroscopy

Unambiguous Identification of Glucose‑Induced Glycation in mAbs and other Proteins by NMR Spectroscopy

Unambiguous identification of pyroglutamate in full-length biopharmaceutical monoclonal antibodies by NMR spectroscopy

Unambiguous identification of α-Gal epitopes in intact monoclonal antibodies by NMR spectroscopy

Understanding the substrate recognition and catalytic mechanism of methyl fucosidases from glycoside hydrolase family 139

Unexpected reactivity and mechanism of carboxamide activation in bacterial N-linked protein glycosylation

Unraveling Molecular Recognition of Glycan Ligands by Siglec-9 via NMR Spectroscopy and Molecular Dynamics Modeling