Characterizing micro-to-millisecond chemical exchange in nucleic acids using off-resonance R1ρ relaxation dispersion

A Rangadurai, ES Szymaski, IJ Kimsey, H Shi… - Progress in nuclear …, 2019 - Elsevier
This review describes off-resonance R 1ρ relaxation dispersion NMR methods for
characterizing microsecond-to-millisecond chemical exchange in uniformly 13 C/15 N …

DNA mismatches reveal conformational penalties in protein–DNA recognition

A Afek, H Shi, A Rangadurai, H Sahay, A Senitzki… - Nature, 2020 - nature.com
Transcription factors recognize specific genomic sequences to regulate complex gene-
expression programs. Although it is well-established that transcription factors bind to specific …

Developments in solution-state NMR yield broader and deeper views of the dynamic ensembles of nucleic acids

B Liu, H Shi, HM Al-Hashimi - Current opinion in structural biology, 2021 - Elsevier
Nucleic acids do not fold into a single conformation, and dynamic ensembles are needed to
describe their propensities to cycle between different conformations when performing …

Kinetic resolution of the atomic 3D structures formed by ground and excited conformational states in an RNA dynamic ensemble

R Roy, A Geng, H Shi, DK Merriman… - Journal of the …, 2023 - ACS Publications
Knowing the 3D structures formed by the various conformations populating the RNA free-
energy landscape, their relative abundance, and kinetic interconversion rates is required to …

An RNA excited conformational state at atomic resolution

A Geng, L Ganser, R Roy, H Shi, S Pratihar… - Nature …, 2023 - nature.com
Sparse and short-lived excited RNA conformational states are essential players in cell
physiology, disease, and therapeutic development, yet determining their 3D structures …

Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction

H Shi, A Rangadurai, H Abou Assi, R Roy… - Nature …, 2020 - nature.com
Biomolecules form dynamic ensembles of many inter-converting conformations which are
key for understanding how they fold and function. However, determining ensembles is …

NMR Chemical Exchange Measurements Reveal That N6-Methyladenosine Slows RNA Annealing

H Shi, B Liu, F Nussbaumer… - Journal of the …, 2019 - ACS Publications
N 6-Methyladenosine (m6A) is an abundant epitranscriptomic modification that plays
important roles in many aspects of RNA metabolism. While m6A is thought to mainly function …

Probing Watson-Crick and Hoogsteen base pairing in duplex DNA using dynamic nuclear polarization solid-state NMR spectroscopy

DW Conroy, Y Xu, H Shi… - Proceedings of the …, 2022 - National Acad Sciences
The majority of base pairs in double-stranded DNA exist in the canonical Watson-Crick
geometry. However, they can also adopt alternate Hoogsteen conformations in various …

Probing the hydrogen-bonding environment of individual bases in DNA duplexes with isotope-edited infrared spectroscopy

RJ Fick, AY Liu, F Nussbaumer, C Kreutz… - The Journal of …, 2021 - ACS Publications
Measuring the strength of the hydrogen bonds between DNA base pairs is of vital
importance for understanding how our genetic code is physically accessed and recognized …

New insights into the role of DNA shape on its recognition by p53 proteins

D Golovenko, B Bräuning, P Vyas, TE Haran… - Structure, 2018 - cell.com
The tumor suppressor p53 acts as a transcription factor recognizing diverse DNA response
elements (REs). Previous structural studies of p53-DNA complexes revealed non-canonical …