EMDB—the electron microscopy data bank

Nucleic acids research, 2024 - academic.oup.com
Abstract The Electron Microscopy Data Bank (EMDB) is the global public archive of three-
dimensional electron microscopy (3DEM) maps of biological specimens derived from …

Fingerprinting and profiling in metabolomics of biosamples

V Ghini, G Meoni, A Vignoli, F Di Cesare… - Progress in Nuclear …, 2023 - Elsevier
This review focuses on metabolomics from an NMR point of view. It attempts to cover the
broad scope of metabolomics and describes the NMR experiments that are most suitable for …

The Nucleic Acid Knowledgebase: a new portal for 3D structural information about nucleic acids

CL Lawson, HM Berman, L Chen, B Vallat… - Nucleic acids …, 2024 - academic.oup.com
Abstract The Nucleic Acid Knowledgebase (nakb. org) is a new data resource, updated
weekly, for experimentally determined 3D structures containing DNA and/or RNA nucleic …

[HTML][HTML] MDverse, shedding light on the dark matter of molecular dynamics simulations

JKS Tiemann, M Szczuka, L Bouarroudj, M Oussaren… - Elife, 2024 - elifesciences.org
The rise of open science and the absence of a global dedicated data repository for
molecular dynamics (MD) simulations has led to the accumulation of MD files in generalist …

Time-optimized protein NMR assignment with an integrative deep learning approach using AlphaFold and chemical shift prediction

P Klukowski, R Riek, P Güntert - Science Advances, 2023 - science.org
Chemical shift assignment is vital for nuclear magnetic resonance (NMR)–based studies of
protein structures, dynamics, and interactions, providing crucial atomic-level insight …

Rational drug design targeting intrinsically disordered proteins

H Wang, R Xiong, L Lai - Wiley Interdisciplinary Reviews …, 2023 - Wiley Online Library
Intrinsically disordered proteins (IDPs) are proteins that perform important biological
functions without well‐defined structures under physiological conditions. IDPs can form …

[HTML][HTML] STIL binding to Polo-box 3 of PLK4 regulates centriole duplication

C Arquint, AM Gabryjonczyk, S Imseng, R Böhm… - Elife, 2015 - elifesciences.org
Polo-like kinases (PLK) are eukaryotic regulators of cell cycle progression, mitosis and
cytokinesis; PLK4 is a master regulator of centriole duplication. Here, we demonstrate that …

[HTML][HTML] Engineering the synthetic β-alanine pathway in Komagataella phaffii for conversion of methanol into 3-hydroxypropionic acid

S Àvila-Cabré, M Pérez-Trujillo, J Albiol, P Ferrer - Microbial Cell Factories, 2023 - Springer
Background Methanol is increasingly gaining attraction as renewable carbon source to
produce specialty and commodity chemicals, as it can be generated from renewable …

Ligand-induced protein transition state stabilization switches the binding pathway from conformational selection to induced fit

O Stenström, C Diehl, K Modig… - Proceedings of the …, 2024 - National Acad Sciences
Protein–ligand complex formation is fundamental to biological function. A central question is
whether proteins spontaneously adopt binding-competent conformations to which ligands …

A multi-iron enzyme installs copper-binding oxazolone/thioamide pairs on a nontypeable Haemophilus influenzae virulence factor

OM Manley, TJ Shriver, T Xu, IA Melendrez… - Proceedings of the …, 2024 - pnas.org
The multinuclear nonheme iron-dependent oxidases (MNIOs) are a rapidly growing family of
enzymes involved in the biosynthesis of ribosomally synthesized, posttranslationally …