Publications from the group

2024

Long-range conformational changes in the nucleotide-bound states of the DEAD-box helicase Vasa Biophysical Journal
The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain Science Advances
Phosphopeptide binding to the N-SH2 domain of tyrosine phosphatase SHP2 correlates with the unzipping of its central Ī²-sheet Computational and Structural Biology Journal

2023

Methods for Structure Determination of SH2 Domainā€“Phosphopeptide Complexes by NMR Methods in Molecular Biology
NMR Methods to Study the Dynamics of SH2 Domainā€“Phosphopeptide Complexes Methods in Molecular Biology
An NMR Study of a 300-kDa AAA+ Unfoldase Journal of Molecular Biology
Experiment-guided molecular simulations define a heterogeneous structural ensemble for the PTPN11 tandem SH2 domains Chemical Science
A real-time analysis of GFP unfolding by the AAA+ unfoldase PAN Journal of Magnetic Resonance
The EJC disassembly factor PYM is an intrinsically disordered protein and forms a fuzzy complex with RNA Frontiers in Molecular Biosciences
Structural insights into the activity regulation of full-length non-structural protein 1 from SARS-CoV-2 Structure

2022

Nucleic acidā€“protein interfaces studied by MAS solid-state NMR spectroscopy Journal of Structural Biology: X

2021

Identification of RNA Base Pairs and Complete Assignment of Nucleobase Resonances by Proton-Detected Solid-State NMR Spectroscopy at 100ā€…kHz MAS Angewandte Chemie International Edition
1H, 13C, and 15N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein) Biomolecular NMR Assignments
Eukaryotic Box C/D methylation machinery has two non-symmetric protein assembly sites Scientific Reports
Recruitment of phospholipase CĪ³1 to the non-structural membrane protein pK15 of Kaposi Sarcoma-associated herpesvirus promotes its Src-dependent phosphorylation PLOS Pathogens
Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology Applications Frontiers in Molecular Biosciences
Phosphotyrosine couples peptide binding and SHP2 activation via a dynamic allosteric network Computational and Structural Biology Journal
High-resolution structure of eukaryotic Fibrillarin interacting with Nop56 amino-terminal domain RNA

2020

Structural and functional roles of 2ā€²-O-ribose methylations and their enzymatic machinery across multiple classes of RNAs Current Opinion in Structural Biology
1H, 13C, 15N chemical shift assignments of SHP2 SH2 domains in complex with PD-1 immune-tyrosine motifs Biomolecular NMR Assignments
Observing Protein Degradation by the PAN-20S Proteasome by Time-Resolved Neutron Scattering Biophysical Journal
Specificity and regulation of phosphotyrosine signaling through SH2 domains Journal of Structural Biology: X
Structure of a Proteinā€“RNA Complex by Solid-State NMR Spectroscopy Angewandte Chemie International Edition
The guide sRNA sequence determines the activity level of box C/D RNPs eLife
Small-Angle Neutron Scattering of RNAā€“Protein Complexes Methods in Molecular Biology
Molecular mechanism of SHP2 activation by PD-1 stimulation Science Advances

2019

Histone chaperone exploits intrinsic disorder to switch acetylation specificity Nature Communications

2018

Solid-state NMR Spectroscopy of RNA Methods in Enzymology
Rapid access to RNA resonances by proton-detected solid-state NMR at >100 kHz MAS Chemical Communications
Isotope labeling for studying RNA by solid-state NMR spectroscopy Journal of Biomolecular NMR
Structural characterization of the Asf1ā€“Rtt109 interaction and its role in histone acetylation Nucleic Acids Research

2017

Chemical Analysis of a "Miller-Type" Complex Prebiotic Broth Origins of Life and Evolution of Biospheres
M3: an integrative framework for structure determination of molecular machines Nature Methods
Structure-Based Design of Scaffolds Targeting PDE10A by INPHARMA-NMR Journal of Chemical Information and Modeling

2016

A bromodomainā€“DNA interaction facilitates acetylation-dependent bivalent nucleosome recognition by the BET protein BRDT Nature Communications
RflM mediates target specificity of the RcsCDB phosphorelay system for transcriptional repression of flagellar synthesis in Salmonella enterica Molecular Microbiology
Chemical Analysis of a "Miller-Type" Complex Prebiotic Broth Part I: Chemical Diversity, Oxygen and Nitrogen Based Polymers Origins of Life and Evolution of Biospheres
Archaea box C/D enzymes methylate two distinct substrate rRNA sequences with different efficiency RNA
The histone chaperone sNASP binds a conserved peptide motif within the globular core of histone H3 through its TPR repeats Nucleic Acids Research
Optimization of protein samples for NMR using thermal shift assays Journal of Biomolecular NMR

2015

On-the-Fly Integration of Data from a Spin-Diffusion-Based NMR Experiment into Proteinā€“Ligand Docking Journal of Chemical Information and Modeling
A Distinct, Sequence-Induced Conformation Is Required for Recognition of the Constitutive Decay Element RNA by Roquin Structure
The structure of the SOLE element of oskar mRNA RNA
Identification of new hit scaffolds by INPHARMA-guided virtual screening MedChemComm
RNA structure determination by solid-state NMR spectroscopy Nature Communications

2014

An integrated approach for genome annotation of the eukaryotic thermophile Chaetomium thermophilum Nucleic Acids Research
Six Subgroups and Extensive Recent Duplications Characterize the Evolution of the Eukaryotic Tubulin Protein Family Genome Biology and Evolution
Molecular Recognition of Epothilones by Microtubules and Tubulin Dimers Revealed by Biochemical and NMR Approaches ACS Chemical Biology
Present and future of NMR for RNAā€“protein complexes: A perspective of integrated structural biology Journal of Magnetic Resonance

2013

The structure of the box C/D enzyme reveals regulation of RNA methylation Nature
A Reducing Milieu Renders Cofilin Insensitive to Phosphatidylinositol 4,5-Bisphosphate (PIP2) Inhibition Journal of Biological Chemistry
A Suite of Solid-State NMR Experiments for RNA Intranucleotide Resonance Assignment in a 21 kDa Protein-RNA Complex Angewandte Chemie International Edition
Accounting for Conformational Variability in Proteinā€“Ligand Docking with NMR-Guided Rescoring Journal of the American Chemical Society
Structural Principles of RNA Catalysis in a 2ā€²ā€“5ā€² Lariat-Forming Ribozyme Journal of the American Chemical Society
Towards Improved Quality of GPCR Models by Usage of Multiple Templates and Profile-Profile Comparison PLOS ONE
Proteinā€“RNA Interfaces Probed by 1H-Detected MAS Solid-State NMR Spectroscopy Angewandte Chemie International Edition

2012

Synthesis and biological evaluation of a water-soluble derivative of the potent V-ATPase inhibitor archazolid Bioorganic & Medicinal Chemistry Letters
Phf19 links methylated Lys36 of histone H3 to regulation of Polycomb activity Nature Structural and Molecular Biology
The description of protein internal motions aids selection of ligand binding poses by the INPHARMA method Journal of Biomolecular NMR
Understanding the Inhibitory Effect of Highly Potent and Selective Archazolides Binding to the Vacuolar ATPase Journal of Chemical Information and Modeling
Hyperpolarized Binding Pocket Nuclear Overhauser Effect for Determination of Competitive Ligand Binding Angewandte Chemie International Edition
NMR in natural products: understanding conformation, configuration and receptor interactions Natural Product Reports
An NMR-based scoring function improves the accuracy of binding pose predictions by docking by two orders of magnitude Journal of Biomolecular NMR

2011

Computational techniques are valuable tools for the discovery of proteinā€“protein interaction inhibitors: The 14-3-3Ļƒ case Bioorganic & Medicinal Chemistry Letters
Recognition of 2ā€²-O-Methylated 3ā€²-End of piRNA by the PAZ Domain of a Piwi Protein Structure

2010

Interaction of Epothilone B (Patupilone) with Microtubules as Detected by Two-Dimensional Solid-State NMR Spectroscopy Angewandte Chemie International Edition
Structure of the K-turn U4 RNA: a combined NMR and SANS study Nucleic Acids Research
Peptide Ligands Selected with CD4-Induced Epitopes on Native Dualtropic HIV-1 Envelope Proteins Mimic Extracellular Coreceptor Domains and Bind to HIV-1 gp120 Independently of Coreceptor Usage Journal of Virology
The Tubulin-Bound Structure of the Antimitotic Drug Tubulysin Angewandte Chemie International Edition
Synthesis and Biological Characterization of Argyrinā€…F ChemMedChem
The Binding Mode of Side Chain- and C3-Modified Epothilones to Tubulin ChemMedChem
Elucidation of the Structure and Intermolecular Interactions of a Reversible Cyclic-Peptide Inhibitor of the Proteasome by NMR Spectroscopy and Molecular Modeling Angewandte Chemie International Edition
1H, 13C and 15N resonance assignments of the Calmodulin-Munc13-1 peptide complex Biomolecular NMR Assignments
Intermolecular Proteināˆ’RNA Interactions Revealed by 2D 31Pāˆ’15N Magic Angle Spinning Solid-State NMR Spectroscopy Journal of the American Chemical Society
Drug Design for G-Protein-Coupled Receptors by a Ligand-Based NMR Method Angewandte Chemie International Edition
Modular architecture of Munc13/calmodulin complexes: dual regulation by Ca2+ and possible function in short-term synaptic plasticity EMBO Journal

2009

The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method Journal of Magnetic Resonance
An Efficient Strategy for the Determination of the Three-Dimensional Architecture of Ribonucleoprotein Complexes by the Combination of a Few Easily Accessible NMR and Biochemical Data: Intermolecular Recognition in a U4 Spliceosomal Complex Journal of Molecular Biology
Probing Mutation-Induced Structural Perturbations by Refinement Against Residual Dipolar Couplings: Application to the U4 Spliceosomal RNP Complex ChemBioChem

2008

NMR assignments of HIV-2 TAR RNA Biomolecular NMR Assignments
Crystallography-Independent Determination of Ligand Binding Modes Angewandte Chemie International Edition
Specific Methyl Group Protonation for the Measurement of Pharmacophore-Specific Interligand NOE Interactions Chemistry: A European Journal
Studies of dynamic nuclear polarization with nitroxides in aqueous solution Applied Magnetic Resonance
Construction of a liquid-state NMR DNP shuttle spectrometer: First experimental results and evaluation of optimal performance characteristics Applied Magnetic Resonance
Argyrin A Reveals a Critical Role for the Tumor Suppressor Protein p27kip1 in Mediating Antitumor Activities in Response to Proteasome Inhibition Cancer Cell
Simultaneous Determination of the Conformation and Relative Configuration of Archazolideā€…A by Using Nuclear Overhauser Effects, J Couplings, and Residual Dipolar Couplings Angewandte Chemie International Edition
Field dependent dynamic nuclear polarization with radicals in aqueous solution Journal of the American Chemical Society
Conformational preferences of natural and C3-modified epothilones in aqueous solution Journal of Medicinal Chemistry

2007

13C-Detection in RNA Bases:ā€‰ Revealing Structureāˆ’Chemical Shift Relationships Journal of the American Chemical Society
Binding of the Human Prp31 Nop Domain to a Composite RNAā€“Protein Platform in U4 snRNP Science
High-Resolution Solid-State NMR Structure of an Anticancer Agent ChemMedChem
Structural Basis of the Activity of the Microtubule-Stabilizing Agent Epothiloneā€…A Studied by NMR Spectroscopy in Solution Angewandte Chemie International Edition

2006

The Tubulin-Bound Conformation of Discodermolide Derived by NMR Studies in Solution Supports a Common Pharmacophore Model for Epothilone and Discodermolide Angewandte Chemie International Edition
Calculation of the Dependence of Homo- and Heteronuclear 3J and 2J Scalar Couplings for the Determination of the 2ā€²-Hydroxy Conformation in RNA Angewandte Chemie International Edition
Stereochemical Determination of Archazolid A and B, Highly Potent Vacuolar-Type ATPase Inhibitors from the Myxobacterium Archangium gephyra Organic Letters
SHARP-TACSY:ā€‰ Triple-Band Tailored Correlated Spectroscopy for Base-to-Sugar Transfer in Nucleic Acid Residues with Intermediate Time Scale Motions Journal of the American Chemical Society
TAR-RNA recognition by a novel cyclic aminoglycoside analogue Nucleic Acids Research
Influence of the 2ā€²-Hydroxyl Group Conformation on the Stability of A-form Helices in RNA Journal of Molecular Biology
A Thorough Dynamic Interpretation of Residual Dipolar Couplings in Ubiquitin Journal of Biomolecular NMR

2005

Side-Chain Orientation and Hydrogen-Bonding Imprint Supra-Ļ„c Motion on the Protein Backbone of Ubiquitin Angewandte Chemie International Edition
The INPHARMA Method: Protein-Mediated Interligand NOEs for Pharmacophore Mapping Angewandte Chemie International Edition
Ligandā€“Target Interactions: What Can We Learn from NMR? Annual Review of Biophysics
Identification of a Novel Pharmacophore for Peptide Toxins Interacting with K+ Channels Journal of Biological Chemistry
Assignment and NOE Analysis of 2'-Hydroxyl Protons in RNA:ā€‰ Implications for Stabilization of RNA A-Form Duplexes Journal of the American Chemical Society

2004

ĪŗM-Conotoxin RIIIK, Structural and Functional Novelty in a K+ Channel Antagonist Biochemistry
Structure of the NCoA-1/SRC-1 PAS-B Domain Bound to the LXXLL Motif of the STAT6 Transactivation Domain Journal of Molecular Biology

2003

Measuring the Ļ‡1 torsion angle in protein by CH-CH cross-correlated relaxation: A new resolution-optimised experiment Journal of Biomolecular NMR
Structural studies on a twin-arginine signal sequence FEBS Letters
The High-Resolution Solution Structure of Epothilone A Bound to Tubulin: An Understanding of the Structureā€“Activity Relationships for a Powerful Class of Antitumor Agents Angewandte Chemie International Edition
Derivation of Dihedral Angles from CHā€“CH Dipolarā€“Dipolar Cross-Correlated Relaxation Rates: A Cā€“C Torsion Involving a Quaternary Carbon Atom in Epothilone A Bound to Tubulin Angewandte Chemie International Edition

2002

A novel PH-CT-COSY methodology for measuring JPH coupling constants in unlabeled nucleic acids. Application to HIV-2 TAR RNA Journal of Biomolecular NMR

2001

Determination of Aliphatic Side-Chain Conformation Using Cross-Correlated Relaxation:ā€‰ Application to an Extraordinarily Stable 2ā€²-aminoethoxy-Modified Oligonucleotide Triplex Journal of the American Chemical Society
Residual Dipolar Coupling TOCSY for Direct Through Space Correlations of Base Protons and Phosphorus Nuclei in RNA Journal of the American Chemical Society
COIN TACSY, a Novel Approach to Tailored Correlation Spectroscopy Journal of Magnetic Resonance
Cross-Correlated Relaxation for Measurement of Angles between Tensorial Interactions Methods in Enzymology

2000

A new method for the simultaneous measurement of magnitude and sign of 1DCH and 1DHH dipolar couplings in methylene groups Journal of Biomolecular NMR
Errors in the Measurement of Cross-Correlated Relaxation Rates and How to Avoid Them Journal of Magnetic Resonance
Ubiquitin Backbone Motion Studied via NHNāˆ’Cā€˜CĪ± Dipolarāˆ’Dipolar and Cā€˜āˆ’Cā€˜CĪ±/NHN CSAāˆ’Dipolar Cross-Correlated Relaxation Journal of the American Chemical Society

1999

Transferredā€‰Cross-Correlatedā€‰Relaxation:ā€‰Application to the Determination of Sugar Pucker in an Aminoacylated tRNA-Mimetic Weakly Bound to EF-Tu Journal of the American Chemical Society

1998

New Methylene Specific Experiments for the Measurement of Scalar Spinā€“Spin Coupling Constants between Protons Attached to 13C Journal of Magnetic Resonance

1997

ā€œKinā€ HEHAHA Sequences, Heteronuclear Hartmannā€“Hahn Transfer with Different Bandwidths for Spins I and S Journal of Magnetic Resonance
Resonance assignment and secondary structure determination and stability of the recombinant human uteroglobin with heteronuclear multidimensional NMR Journal of Biomolecular NMR

1996

PLUSH TACSY: Homonuclear planar TACSY with two-band selective shaped pulses applied to CĪ±,Cā€² transfer and CĪ²,Caromatic correlations Journal of Biomolecular NMR

1995

Conformational analysis of Dolastatin 10: An NMR and theoretical approach Biopolymers