[HTML][HTML] Transformation networks of metal–organic cages controlled by chemical stimuli

E Benchimol, BNT Nguyen, TK Ronson… - Chemical Society …, 2022 - pubs.rsc.org
The flexibility of biomolecules enables them to adapt and transform as a result of signals
received from the external environment, expressing different functions in different contexts …

[HTML][HTML] PI3K inhibitors: review and new strategies

M Zhang, H Jang, R Nussinov - Chemical science, 2020 - pubs.rsc.org
The search is on for effective specific inhibitors for PI3Kα mutants. PI3Kα, a critical lipid
kinase, has two subunits, catalytic and inhibitory. PIK3CA, the gene that encodes the p110α …

Structure determination of high-energy states in a dynamic protein ensemble

JB Stiller, R Otten, D Häussinger, PS Rieder… - Nature, 2022 - nature.com
Macromolecular function frequently requires that proteins change conformation into high-
energy states,,–. However, methods for solving the structures of these functionally essential …

In Silico Identification and Experimental Validation of Distal Activity-Enhancing Mutations in Tryptophan Synthase

MA Maria-Solano, T Kinateder… - ACS …, 2021 - ACS Publications
Allostery is a central mechanism for the regulation of multi-enzyme complexes. The
mechanistic basis that drives allosteric regulation is poorly understood but harbors key …

Programmable DNA switches and their applications

SG Harroun, C Prévost-Tremblay, D Lauzon… - Nanoscale, 2018 - pubs.rsc.org
DNA switches are ideally suited for numerous nanotechnological applications, and
increasing efforts are being directed toward their engineering. In this review, we discuss how …

Combining allosteric and orthosteric drugs to overcome drug resistance

D Ni, Y Li, Y Qiu, J Pu, S Lu, J Zhang - Trends in pharmacological sciences, 2020 - cell.com
Historically, most drugs target protein orthosteric sites. The gradual emergence of resistance
hampers their therapeutic effectiveness, posing a challenge to drug development …

Allosteric motions of the CRISPR–Cas9 HNH nuclease probed by NMR and molecular dynamics

KW East, JC Newton, UN Morzan… - Journal of the …, 2019 - ACS Publications
CRISPR–Cas9 is a widely employed genome-editing tool with functionality reliant on the
ability of the Cas9 endonuclease to introduce site-specific breaks in double-stranded DNA …

Templation and Concentration Drive Conversion Between a FeII12L12 Pseudoicosahedron, a FeII4L4 Tetrahedron, and a FeII2L3 Helicate

D Zhang, Q Gan, AJ Plajer… - Journal of the …, 2022 - ACS Publications
We report the construction of three structurally distinct self-assembled architectures:
FeII12L12 pseudoicosahedron 1, FeII2L3 helicate 2, and FeII4L4 tetrahedron 3, formed from …

[HTML][HTML] G protein-coupled receptors (GPCRs): advances in structures, mechanisms, and drug discovery

M Zhang, T Chen, X Lu, X Lan, Z Chen… - Signal Transduction and …, 2024 - nature.com
G protein-coupled receptors (GPCRs), the largest family of human membrane proteins and
an important class of drug targets, play a role in maintaining numerous physiological …

Symmetry, rigidity, and allosteric signaling: from monomeric proteins to molecular machines

D Thirumalai, C Hyeon, PI Zhuravlev… - Chemical …, 2019 - ACS Publications
Allosteric signaling in biological molecules, which may be viewed as specific action at a
distance due to localized perturbation upon binding of ligands or changes in environmental …