Atomic-resolution chemical characterization of (2x)72-kDa tryptophan synthase via four- and five-dimensional 1H-detected solid-state NMR

Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase α-aminoacrylate intermediate

(2022) Jacob B. Holmes et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Backbone assignment of crystalline E. coli maltose binding protein

(2021) Tobias Schubeis et al.   Biomolecular NMR Assignments

Identification of RNA base pairs and complete assignment of nucleobase resonances by 1H‐detected solid‐state NMR spectroscopy at 100 kHz MAS

(2021) Teresa Carlomagno et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Automated backbone NMR resonance assignment of large proteins using redundant linking from a single simultaneous acquisition

(2020) Jan Stanek et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase

(2020) Karolina Michalska et al.   PROTEIN SCIENCE

NMR crystallography of molecular organics

(2020) Paul Hodgkinson   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Picometer Resolution Structure of the Coordination Sphere in the Metal-Binding Site in a Metalloprotein by NMR

(2020) Andrea Bertarello et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR

(2020) Manman Lu et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

A β-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL

(2020) Tobias Schubeis et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Solid-state NMR approaches to investigate large enzymes in complex with substrates and inhibitors

(2020) Anne K. Schütz   BIOCHEMICAL SOCIETY TRANSACTIONS

Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration

(2019) Suresh K. Vasa et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Aromatic Ring Dynamics, Thermal Activation, and Transient Conformations of a 468 kDa Enzyme by Specific 1H–13C Labeling and Fast Magic-Angle Spinning NMR

(2019) Diego F. Gauto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantifying Microsecond Exchange in Large Protein Complexes with Accelerated Relaxation Dispersion Experiments in the Solid State

(2019) Carl Öster et al.   Scientific Reports

Tailoring Tryptophan Synthase TrpB for Selective Quaternary Carbon Bond Formation

(2019) Markus Dick et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fast Microsecond Dynamics of the Protein–Water Network in the Active Site of Human Carbonic Anhydrase II Studied by Solid-State NMR Spectroscopy

(2019) Himanshu Singh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Protein NMR Resonance Assignment without Spectral Analysis: 5D SOlid-State Automated Projection SpectroscopY (SO-APSY)

(2019) Henry W. Orton et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Sensitivity boosts by the CPMAS CryoProbe for challenging biological assemblies

(2019) Alia Hassan et al.   JOURNAL OF MAGNETIC RESONANCE

1 H line width dependence on MAS speed in solid state NMR – Comparison of experiment and simulation

(2018) Ulrich Sternberg et al.   JOURNAL OF MAGNETIC RESONANCE

Dynamics and Interactions of a 29 kDa Human Enzyme Studied by Solid-State NMR

(2018) Suresh K. Vasa et al.   Journal of Physical Chemistry Letters

Automated projection spectroscopy in solid-state NMR

(2018) Alexander Klein et al.   JOURNAL OF BIOMOLECULAR NMR

Reconstruction of non-uniformly sampled five-dimensional NMR spectra by signal separation algorithm

(2017) Krzysztof Kosiński et al.   JOURNAL OF BIOMOLECULAR NMR

Selective 1H–1H Distance Restraints in Fully Protonated Proteins by Very Fast Magic-Angle Spinning Solid-State NMR

(2017) Mukul G. Jain et al.   Journal of Physical Chemistry Letters

Unlocking Reactivity of TrpB: A General Biocatalytic Platform for Synthesis of Tryptophan Analogues

(2017) David K. Romney et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure of outer membrane protein G in lipid bilayers

(2017) Joren S. Retel et al.   Nature Communications

NMR crystallography: structure and properties of materials from solid-state nuclear magnetic resonance observables

(2017) David L. Bryce   IUCrJ

Inhibiting mycobacterial tryptophan synthase by targeting the inter-subunit interface

(2017) Katherine A. Abrahams et al.   Scientific Reports

Monitoring ssDNA Binding to the DnaB Helicase fromHelicobacter pyloriby Solid-State NMR Spectroscopy

(2016) Thomas Wiegand et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

NMR Spectroscopic Assignment of Backbone and Side-Chain Protons in Fully Protonated Proteins: Microcrystals, Sedimented Assemblies, and Amyloid Fibrils

(2016) Jan Stanek et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Access to side-chain carbon information in deuterated solids under fast MAS through non-rotor-synchronized mixing

(2016) Natalia Kulminskaya et al.   CHEMICAL COMMUNICATIONS

Backbone assignment for minimal protein amounts of low structural homogeneity in the absence of deuteration

(2016) ShengQi Xiang et al.   CHEMICAL COMMUNICATIONS

HIV-1 Capsid Function Is Regulated by Dynamics: Quantitative Atomic-Resolution Insights by Integrating Magic-Angle-Spinning NMR, QM/MM, and MD

(2016) Huilan Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

NMR Crystallography of a Carbanionic Intermediate in Tryptophan Synthase: Chemical Structure, Tautomerization, and Reaction Specificity

(2016) Bethany G. Caulkins et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic Resolution Structure of Monomorphic Aβ42 Amyloid Fibrils

(2016) Michael T. Colvin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Solid-state NMR structure of a pathogenic fibril of full-length human α-synuclein

(2016) Marcus D Tuttle et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Benchmark fragment-based 1H, 13C, 15N and 17O chemical shift predictions in molecular crystals

(2016) Joshua D. Hartman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Protein dynamics and function from solution state NMR spectroscopy

(2016) Michael Kovermann et al.   QUARTERLY REVIEWS OF BIOPHYSICS

Solid-state NMR structure of a pathogenic fibril of full-length human α-synuclein

(2016) Marcus D Tuttle et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Catalytic roles of βLys87 in tryptophan synthase: 15N solid state NMR studies

(2015) Bethany G. Caulkins et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Converging nuclear magnetic shielding calculations with respect to basis and system size in protein systems

(2015) Joshua D. Hartman et al.   JOURNAL OF BIOMOLECULAR NMR

Six- and seven-dimensional experiments by combination of sparse random sampling and projection spectroscopy dedicated for backbone resonance assignment of intrinsically disordered proteins

(2015) Szymon Żerko et al.   JOURNAL OF BIOMOLECULAR NMR

Asynchronous through-bond homonuclear isotropic mixing: application to carbon–carbon transfer in perdeuterated proteins under MAS

(2015) Natalia Kulminskaya et al.   JOURNAL OF BIOMOLECULAR NMR

Protein residue linking in a single spectrum for magic-angle spinning NMR assignment

(2015) Loren B. Andreas et al.   JOURNAL OF BIOMOLECULAR NMR

Sequential backbone assignment based on dipolar amide-to-amide correlation experiments

(2015) ShengQi Xiang et al.   JOURNAL OF BIOMOLECULAR NMR

Protein resonance assignment at MAS frequencies approaching 100 kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods

(2015) Susanne Penzel et al.   JOURNAL OF BIOMOLECULAR NMR

Protonation states and catalysis: Molecular dynamics studies of intermediates in tryptophan synthase

(2015) Yu-ming M. Huang et al.   PROTEIN SCIENCE

Atomic-resolution structure of cytoskeletal bactofilin by solid-state NMR

(2015) C. Shi et al.   Science Advances

Towards automatic protein backbone assignment using proton-detected 4D solid-state NMR data

(2014) ShengQi Xiang et al.   JOURNAL OF BIOMOLECULAR NMR

Solid-State NMR Structure Determination from Diagonal-Compensated, Sparsely Nonuniform-Sampled 4D Proton–Proton Restraints

(2014) Rasmus Linser et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Protonation States of the Tryptophan Synthase Internal Aldimine Active Site from Solid-State NMR Spectroscopy: Direct Observation of the Protonated Schiff Base Linkage to Pyridoxal-5′-Phosphate

(2014) Bethany G. Caulkins et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rapid Proton-Detected NMR Assignment for Proteins with Fast Magic Angle Spinning

(2014) Emeline Barbet-Massin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

NMR Crystallography of Enzyme Active Sites: Probing Chemically Detailed, Three-Dimensional Structure in Tryptophan Synthase

(2013) Leonard J. Mueller et al.   ACCOUNTS OF CHEMICAL RESEARCH

Proton-Detected Solid-State NMR Spectroscopy at Aliphatic Sites: Application to Crystalline Systems

(2013) Sam Asami et al.   ACCOUNTS OF CHEMICAL RESEARCH

Allostery and Substrate Channeling in the Tryptophan Synthase Bienzyme Complex: Evidence for Two Subunit Conformations and Four Quaternary States

(2013) Dimitri Niks et al.   BIOCHEMISTRY

Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks

(2013) Yang Shen et al.   JOURNAL OF BIOMOLECULAR NMR

NMR Studies of Protonation and Hydrogen Bond States of Internal Aldimines of Pyridoxal 5′-Phosphate Acid–Base in Alanine Racemase, Aspartate Aminotransferase, and Poly-l-lysine

(2013) Monique Chan-Huot et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Practical aspects of NMR signal assignment in larger and challenging proteins

(2013) Dominique P. Frueh   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

First-Principles Calculation of NMR Parameters Using the Gauge Including Projector Augmented Wave Method: A Chemist’s Point of View

(2012) Christian Bonhomme et al.   CHEMICAL REVIEWS

A New Algorithm for Reliable and General NMR Resonance Assignment

(2012) Elena Schmidt et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

4D solid-state NMR for protein structure determination

(2012) Matthias Huber et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Proton-Detected Solid-State NMR Spectroscopy of Fibrillar and Membrane Proteins

(2011) Rasmus Linser et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Side-chain to backbone correlations from solid-state NMR of perdeuterated proteins through combined excitation and long-range magnetization transfers

(2011) Rasmus Linser   JOURNAL OF BIOMOLECULAR NMR

Structure Calculation from Unambiguous Long-Range Amide and Methyl1H−1H Distance Restraints for a Microcrystalline Protein with MAS Solid-State NMR Spectroscopy

(2011) Rasmus Linser et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Narrow carbonyl resonances in proton-diluted proteins facilitate NMR assignments in the solid-state

(2010) Rasmus Linser et al.   JOURNAL OF BIOMOLECULAR NMR

Narrow peaks and high dimensionalities: Exploiting the advantages of random sampling

(2009) Krzysztof Kazimierczuk et al.   JOURNAL OF MAGNETIC RESONANCE

Nanomole-scale protein solid-state NMR by breaking intrinsic 1H T1 boundaries

(2009) Nalinda P Wickramasinghe et al.   NATURE METHODS

Proton-detected scalar coupling based assignment strategies in MAS solid-state NMR spectroscopy applied to perdeuterated proteins

(2008) Rasmus Linser et al.   JOURNAL OF MAGNETIC RESONANCE