Biomolecular NMR in the AI-assisted structural biology era: Old tricks and new opportunities

Probing Ligand Binding Sites on Large Proteins by Nuclear Magnetic Resonance Spectroscopy of Genetically Encoded Non-Canonical Amino Acids

(2023) Kasuni B. Ekanayake et al.   Journal of Medicinal Chemistry

Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM

(2023) Yun Huang et al.   Journal of the American Chemical Society

Mapping the conformational landscape of the stimulatory heterotrimeric G protein

(2023) Shuya Kate Huang et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Structural and regulatory insights into the glideosome-associated connector from Toxoplasma gondii

(2023) Amit Kumar et al.   eLife

13C Direct Detected NMR for Challenging Systems

(2022) Isabella C. Felli et al.   CHEMICAL REVIEWS

Cryo-EM in molecular and cellular biology

(2022) Helen R. Saibil   MOLECULAR CELL

Teixobactin kills bacteria by a two-pronged attack on the cell envelope

(2022) Rhythm Shukla et al.   NATURE

Measuring Local Electrostatic Potentials Around Nucleic Acids by Paramagnetic NMR Spectroscopy

(2022) Binhan Yu et al.   Journal of Physical Chemistry Letters

NMR-guided directed evolution

(2022) Sagar Bhattacharya et al.   NATURE

Mapping the per-residue surface electrostatic potential of CAPRIN1 along its phase-separation trajectory

(2022) Yuki Toyama et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Rapid protein assignments and structures from raw NMR spectra with the deep learning technique ARTINA

(2022) Piotr Klukowski et al.   Nature Communications

Surface electrostatics dictate RNA-binding protein CAPRIN1 condensate concentration and hydrodynamic properties

(2022) Yuki Toyama et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Nanobody GPS by PCS: An Efficient New NMR Analysis Method for G Protein Coupled Receptors and Other Large Proteins

(2022) Feng-Jie Wu et al.   Journal of the American Chemical Society

Theory and Applications of Nitroxide-based Paramagnetic Cosolutes for Probing Intermolecular and Electrostatic Interactions on Protein Surfaces

(2022) Yusuke Okuno et al.   Journal of the American Chemical Society

NMR spectroscopy captures the essential role of dynamics in regulating biomolecular function

(2021) T. Reid Alderson et al.   CELL

FID-Net: A versatile deep neural network architecture for NMR spectral reconstruction and virtual decoupling

(2021) Gogulan Karunanithy et al.   JOURNAL OF BIOMOLECULAR NMR

The antibiotic darobactin mimics a β-strand to inhibit outer membrane insertase

(2021) Hundeep Kaur et al.   NATURE

The contribution of electrostatics to hydrogen exchange in the unfolded protein state

(2021) Rupashree Dass et al.   BIOPHYSICAL JOURNAL

Highly accurate protein structure prediction with AlphaFold

(2021) John Jumper et al.   NATURE

Atomic view of cosolute-induced protein denaturation probed by NMR solvent paramagnetic relaxation enhancement

(2021) Yusuke Okuno et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

De novo determination of near-surface electrostatic potentials by NMR

(2021) Binhan Yu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

NMR methods for exploring ‘dark’ states in ligand binding and protein-protein interactions

(2021) Vitali Tugarinov et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Fluorine NMR functional screening: from purified enzymes to human intact living cells

(2020) Claudio Dalvit et al.   JOURNAL OF BIOMOLECULAR NMR

Quantitative Interpretation of Solvent Paramagnetic Relaxation for Probing Protein–Cosolute Interactions

(2020) Yusuke Okuno et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Zooming into the Interaction of α‐synuclein with Calcium Ions through Exclusively Heteronuclear NMR Experiments

(2020) Letizia Pontoriero et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Conformational states dynamically populated by a kinase determine its function

(2020) Tao Xie et al.   SCIENCE

Aromatic 19F-13C TROSY: a background-free approach to probe biomolecular structure, function, and dynamics

(2019) Andras Boeszoermenyi et al.   NATURE METHODS

Positively Charged Tags Impede Protein Mobility in Cells as Quantified by 19F NMR

(2019) Yansheng Ye et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Characterising side chains in large proteins by protonless 13C-detected NMR spectroscopy

(2019) Ruth B. Pritchard et al.   Nature Communications

Emerging solution NMR methods to illuminate the structural and dynamic properties of proteins

(2019) Haribabu Arthanari et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Unveiling invisible protein states with NMR spectroscopy

(2019) T Reid Alderson et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Arginine Side-Chain Hydrogen Exchange: Quantifying Arginine Side-Chain Interactions in Solution

(2018) Harold W. Mackenzie et al.   CHEMPHYSCHEM

Advanced isotopic labeling for the NMR investigation of challenging proteins and nucleic acids

(2018) Jerome Boisbouvier et al.   JOURNAL OF BIOMOLECULAR NMR

Structural investigation of a chaperonin in action reveals how nucleotide binding regulates the functional cycle

(2018) Guillaume Mas et al.   Science Advances

Measurement of Very Fast Exchange Rates of Individual Amide Protons in Proteins by NMR Spectroscopy

(2018) Rupashree Dass et al.   CHEMPHYSCHEM

NMR Studies of Large Proteins

(2017) Yajun Jiang et al.   JOURNAL OF MOLECULAR BIOLOGY

Structural basis of membrane disruption and cellular toxicity by α-synuclein oligomers

(2017) Giuliana Fusco et al.   SCIENCE

Parallelized Ligand Screening Using Dissolution Dynamic Nuclear Polarization

(2016) Yaewon Kim et al.   ANALYTICAL CHEMISTRY

Unfolding the mechanism of the AAA+ unfoldase VAT by a combined cryo-EM, solution NMR study

(2016) Rui Huang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Distribution of Pico- and Nanosecond Motions in Disordered Proteins from Nuclear Spin Relaxation

(2015) Shahid N. Khan et al.   BIOPHYSICAL JOURNAL

Visualizing transient dark states by NMR spectroscopy

(2015) Nicholas J. Anthis et al.   QUARTERLY REVIEWS OF BIOPHYSICS

Studying “Invisible” Excited Protein States in Slow Exchange with a Major State Conformation

(2012) Pramodh Vallurupalli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Triple resonance three-dimensional protein NMR: Before it became a black box

(2011) Ad Bax   JOURNAL OF MAGNETIC RESONANCE

Measuring rapid hydrogen exchange in the homodimeric 36 kDa HIV-1 integrase catalytic core domain

(2011) Nicholas C. Fitzkee et al.   PROTEIN SCIENCE

Dynamic Regulation of Archaeal Proteasome Gate Opening As Studied by TROSY NMR

(2010) T. L. Religa et al.   SCIENCE

An Improved15N Relaxation Dispersion Experiment for the Measurement of Millisecond Time-Scale Dynamics in Proteins†

(2007) D. Flemming Hansen et al.   JOURNAL OF PHYSICAL CHEMISTRY B