Results 111 to 120 of about 1,314,905 (219)

Structural studies and functional engineering of NanX: an anhydro‐sialic acid transporter from Escherichia coli

FEBS Open Bio, EarlyView.
Biophysical characterisation shows that NanX, a membrane transport protein from the major facilitator superfamily (MFS), forms both monomers and dimers after purification. AlphaFold modelling and substrate docking provide information on residues likely involved in substrate recognition for NanX and another MFS member, NanT.
Michael C. Newton‐Vesty, Kelsi R. Hall, Zachary D. Tillett, Liam S. Turk, James S. Davies, Michael J. Currie, Hamish G. Brown, Sepideh Valimehr, Peter D. Mace, Andrew E. Whitten, Santosh Panjikar, Eric Hanssen, Rachel A. North, Renwick C.J. Dobson   +13 more
wiley   +1 more source

Differentiation of cortical areas: effects of free energy minimization with broken symmetry. [PDF]

Cereb Cortex
Wright JJ, Bourke PD.
europepmc   +1 more source

Adenosine triphosphate as a modulator of protein interactions and stability

FEBS Open Bio, EarlyView.
ATP is best known as the cell's energy currency, but it also shapes how proteins fold, interact, aggregate and form biomolecular condensates. This review explains the emerging physical principles behind these effects, including weak binding to charged protein regions, magnesium‐dependent behaviour and concentration‐dependent control of protein ...
Shuyuan Tan, Robin Curtis
wiley   +1 more source

Free energy simulations on a biomimetic glucose receptor: understanding the selectivity of GluHUT. [PDF]

Chem Sci
Eades R, Hanzevacki M, Mulholland AJ, Davis AP.   +3 more
europepmc   +1 more source

Heterotropic regulation and negative homotropic cooperativity

FEBS Open Bio, EarlyView.
We identified a structural module common to some proteins that couple negative cooperativity with heterotropic regulation, two features that rarely coexist. These proteins are ring‐like and present an ordered asymmetry whereby noncontacting subunits are symmetric, and their tertiary structure differs from that of contacting subunits.
Veronica Morea, Francesco Angelucci, Federica Arnesano, Gianmarco Pascarella, Patrizio Di Micco, Andrea Bellelli   +5 more
wiley   +1 more source

A Relative Binding Free Energy Framework for Structurally Dissimilar Molecules. [PDF]

J Chem Inf Model
Tsai HC, Zhang S, Lee TS, Giese TJ, Lin C, Xu J, Yi Y, York DM, Ganguly A, Pan AC.   +9 more
europepmc   +1 more source

BCG vaccination potentiates oxidative phosphorylation in neonatal myeloid‐derived suppressor cells

FEBS Open Bio, EarlyView.
BCG vaccination enhances oxidative phosphorylation in neonatal MDSCs, impairing their immunosuppressive function. It upregulates electron transport chain genes and mitochondrial activity, increasing ATP and oxygen consumption. Pharmacological OXPHOS inhibition partially restores suppressive capacity, confirming causality.
Yingying Chen, Hui Li
wiley   +1 more source

Conformational free energy landscape of sorting signal peptides in complex with bacterial sortases. [PDF]

Biophys J
Croney KA, Huisman C, Brock R, Whitham KM, Amacher JF, McCarty J.   +5 more
europepmc   +1 more source

Aging Is a Key Driver for Adult Acute Myeloid Leukemia

Aging and Cancer, EarlyView.
Acute myeloid leukemia (AML) is a classical age‐related hematologic malignancy, and a key driver of AML is aging, which profoundly regulates intrinsic factors such as genomic instability, epigenetic reprogramming, and metabolic dysregulation, and alters bone marrow microenvironment.
Rong Yin, Haojian Zhang
wiley   +1 more source

Machine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations. [PDF]

J Chem Theory Comput
Hilfiker M, Medrano Sandonas L, Tkatchenko A, Engkvist O, Klähn M.   +4 more
europepmc   +1 more source