Results 61 to 70 of about 3,449,175 (207)

Prospecting the protein design landscape

FEBS Letters, EarlyView.
This review outlines the current state of various protein design approaches. We discuss the current possibilities enabled by recently released tools, highlight future avenues to pursue in protein design, and underscore the crucial role of key databases and resources for successful protein design workflows.
Jakob R. Riccabona, Katharina T. Stonig, Jens Meiler, Clara T. Schoeder, Monica L. Fernández‐Quintero   +4 more
wiley   +1 more source

Artificial molecular machines and motors—Design and control of nanoscale motion

FEBS Letters, EarlyView.
Molecules are constantly moving because of thermal fluctuations, but random motion alone cannot be exploited to perform directional tasks. Artificial molecular machines use chemical, electrical, or light energy to bias this motion. Molecular shuttles, rotary motors, and supramolecular pumps illustrate how nanoscale movement can be controlled and ...
Leonardo Andreoni, Alberto Credi
wiley   +1 more source

The heterodimeric amino acid transporters (HAT) of the SLC7/SLC3 family: A structure−function relationships and relevance to human pathology

FEBS Letters, EarlyView.
Heterodimeric amino acid transporters consist of SLC7 and SLC3 family proteins arranged in a conserved structural organization. They regulate nutrient transport across cell membranes, supporting essential cellular functions. These transporters also contribute to xenobiotic/drug uptake and distribution.
Mariafrancesca Scalise, Tiziano Mazza, Raffaella Scanga, Lara Console, Michele Galluccio, Cesare Indiveri   +5 more
wiley   +1 more source

Pulsed Dipolar EPR for Self-Limited Complexes of Oligonucleotides Studies

Biomolecules
Pulsed electron–electron double resonance (PELDOR) spectroscopy is a powerful method for determining nucleic acid (NA) structure and conformational dynamics.
Alexey S. Chubarov, Burkhard Endeward, Maria A. Kanarskaya, Yuliya F. Polienko, Thomas F. Prisner, Alexander A. Lomzov   +5 more
doaj   +1 more source

Smaller is better: nanobodies meet NMR

FEBS Letters, EarlyView.
Nanobodies are single‐domain antigen‐binding fragments derived from camelid heavy chain antibodies. Their small size, high stability, and exceptional specificity make nanobodies uniquely useful probes for NMR studies of protein dynamics, transient conformational states, and protein–protein interactions.
Oleg Y. Dmitriev
wiley   +1 more source

Antagonist binding and induced conformational dynamics of GPCR A2A adenosine receptor

, 2013
Antagonist binding and induced conformational dynamics of GPCR A2A adenosine ...
韩克利, 杨明俊, 庞雪芹
core  

Three hydrolases and a transferase: comparative analysis of active-site dynamics via the BioSimGrid database [PDF]

, 2007
Comparative molecular dynamics (MD) simulations enable us to explore the conformational dynamics of the active sites of distantly related enzymes.
Baaden, Marc, Muan Hong Ngd, Essex, Jonathan, Sansom, Mark, Cox, Katherine, Ng, Muan Hong, Tai, Kaihsu, Jonathan W. Essexc, Steven Johnstonc, Bing Wua, Marc Baadenb, Essex, Jonathan W., Sansom, Mark S.P., Murdock, Stuart, Wu, Bing, Stuart Murdockc, Johnston, Steven, Fangohr, Hans, Kaihsu Taia, Richard Boardmanc, Mark S. P. Sansoma, Katherine Coxa, Sansom, Mark S. P., Hans Fangohrd, Boardman, Richard   +24 more
core   +1 more source

Loop dynamics govern MALT1 activation revealed by integrative AlphaFold, MD, and NMR analysis

Scientific Reports
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) is a central regulator of immune signalling, yet how its conformational dynamics govern activation remains poorly understood.
Dmitry Lesovoy, Tatiana Agback, Konstantin Roshchin, Tatyana Sandalova, Adnane Achour, Xiao Han, Alexander Lomzov, Vladislav Orekhov, Peter Agback   +8 more
doaj   +1 more source

Analysis of AlphaFold and molecular dynamics structure predictions of mutations in serpins.

PLoS ONE
Serine protease inhibitors (serpins) include thousands of structurally conserved proteins playing key roles in many organisms. Mutations affecting serpins may disturb their conformation, leading to inactive forms.
Pedro Garrido-Rodríguez, Miguel Carmena-Bargueño, María Eugenia de la Morena-Barrio, Carlos Bravo-Pérez, Belén de la Morena-Barrio, Rosa Cifuentes-Riquelme, María Luisa Lozano, Horacio Pérez-Sánchez, Javier Corral   +8 more
doaj   +1 more source

Linking time-series of single-molecule experiments with molecular dynamics simulations by machine learning

eLife, 2018
Single-molecule experiments and molecular dynamics (MD) simulations are indispensable tools for investigating protein conformational dynamics. The former provide time-series data, such as donor-acceptor distances, whereas the latter give atomistic ...
Yasuhiro Matsunaga, Yuji Sugita
doaj   +1 more source