AlphaFold2 reveals commonalities and novelties in protein structure space for 21 model organisms

N Bordin, I Sillitoe, V Nallapareddy, C Rauer… - Communications …, 2023 - nature.com
Deep-learning (DL) methods like DeepMind's AlphaFold2 (AF2) have led to substantial
improvements in protein structure prediction. We analyse confident AF2 models from 21 …

[HTML][HTML] An atlas of protein homo-oligomerization across domains of life

H Schweke, M Pacesa, T Levin, CA Goverde, P Kumar… - Cell, 2024 - cell.com
Protein structures are essential to understanding cellular processes in molecular detail.
While advances in artificial intelligence revealed the tertiary structure of proteins at scale …

PED in 2024: improving the community deposition of structural ensembles for intrinsically disordered proteins

H Ghafouri, T Lazar, A Del Conte… - Nucleic acids …, 2024 - academic.oup.com
Abstract The Protein Ensemble Database (PED)(URL: https://proteinensemble. org) is the
primary resource for depositing structural ensembles of intrinsically disordered proteins. This …

Promiscuity in drug discovery on the verge of the structural revolution: recent advances and future chances

SN Bolz, M Schroeder - Expert Opinion on Drug Discovery, 2023 - Taylor & Francis
Introduction Promiscuity denotes the ability of ligands and targets to specifically interact with
multiple binding partners. Despite negative aspects like side effects, promiscuity is receiving …

[HTML][HTML] ModelCIF: An extension of PDBx/mmCIF data representation for computed structure models

B Vallat, G Tauriello, S Bienert, J Haas… - Journal of molecular …, 2023 - Elsevier
Abstract ModelCIF (github. com/ihmwg/ModelCIF) is a data information framework
developed for and by computational structural biologists to enable delivery of Findable …

FuzPred: a web server for the sequence-based prediction of the context-dependent binding modes of proteins

A Hatos, JMC Teixeira, S Barrera-Vilarmau… - Nucleic Acids …, 2023 - academic.oup.com
Proteins form complex interactions in the cellular environment to carry out their functions.
They exhibit a wide range of binding modes depending on the cellular conditions, which …

PDBminer to Find and Annotate Protein Structures for Computational Analysis

K Degn, L Beltrame, M Tiberti… - Journal of Chemical …, 2023 - ACS Publications
Computational methods relying on protein structure strongly depend on the structure
selected for investigation. Typical sources of protein structures include experimental …

Challenges in bridging the gap between protein structure prediction and functional interpretation

M Varadi, M Tsenkov, S Velankar - Proteins: Structure, Function …, 2023 - Wiley Online Library
The rapid evolution of protein structure prediction tools has significantly broadened access
to protein structural data. Although predicted structure models have the potential to …

EMBL's European bioinformatics institute (EMBL-EBI) in 2023

M Thakur, A Buniello, C Brooksbank… - Nucleic Acids …, 2024 - academic.oup.com
Abstract The European Molecular Biology Laboratory's European Bioinformatics Institute
(EMBL-EBI) is one of the world's leading sources of public biomolecular data. Based at the …

Mg2+-Ion Dependence Revealed for a BAHD 13-O-β-Aminoacyltransferase from Taxus Plants

A Al-Hilfi, Z Li, KM Merz Jr, KD Walker - JACS Au, 2024 - ACS Publications
A Taxus baccatin III: 3-amino-3-phenylpropanoyltransferase (BAPT, Accession: AY082804)
in clade 6 of the BAHD family catalyzed a Mg2+-dependent transfer of isoserines from their …