Targeting p53 pathways: mechanisms, structures, and advances in therapy

H Wang, M Guo, H Wei, Y Chen - Signal transduction and targeted …, 2023 - nature.com
The TP53 tumor suppressor is the most frequently altered gene in human cancers, and has
been a major focus of oncology research. The p53 protein is a transcription factor that can …

AlphaFold2 and its applications in the fields of biology and medicine

Z Yang, X Zeng, Y Zhao, R Chen - Signal Transduction and Targeted …, 2023 - nature.com
Abstract AlphaFold2 (AF2) is an artificial intelligence (AI) system developed by DeepMind
that can predict three-dimensional (3D) structures of proteins from amino acid sequences …

The STRING database in 2023: protein–protein association networks and functional enrichment analyses for any sequenced genome of interest

D Szklarczyk, R Kirsch, M Koutrouli… - Nucleic acids …, 2023 - academic.oup.com
Much of the complexity within cells arises from functional and regulatory interactions among
proteins. The core of these interactions is increasingly known, but novel interactions …

RCSB Protein Data Bank (RCSB. org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from …

SK Burley, C Bhikadiya, C Bi, S Bittrich… - Nucleic acids …, 2023 - academic.oup.com
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center …

Learning inverse folding from millions of predicted structures

C Hsu, R Verkuil, J Liu, Z Lin, B Hie… - International …, 2022 - proceedings.mlr.press
We consider the problem of predicting a protein sequence from its backbone atom
coordinates. Machine learning approaches to this problem to date have been limited by the …

Scaffolding protein functional sites using deep learning

J Wang, S Lisanza, D Juergens, D Tischer, JL Watson… - Science, 2022 - science.org
The binding and catalytic functions of proteins are generally mediated by a small number of
functional residues held in place by the overall protein structure. Here, we describe deep …

AlphaFill: enriching AlphaFold models with ligands and cofactors

ML Hekkelman, I de Vries, RP Joosten, A Perrakis - Nature Methods, 2023 - nature.com
Artificial intelligence-based protein structure prediction approaches have had a
transformative effect on biomolecular sciences. The predicted protein models in the …

AI-based structure prediction empowers integrative structural analysis of human nuclear pores

S Mosalaganti, A Obarska-Kosinska, M Siggel… - Science, 2022 - science.org
INTRODUCTION The eukaryotic nucleus protects the genome and is enclosed by the two
membranes of the nuclear envelope. Nuclear pore complexes (NPCs) perforate the nuclear …

Accurate prediction of protein–nucleic acid complexes using RoseTTAFoldNA

M Baek, R McHugh, I Anishchenko, H Jiang, D Baker… - Nature …, 2024 - nature.com
Protein–RNA and protein–DNA complexes play critical roles in biology. Despite
considerable recent advances in protein structure prediction, the prediction of the structures …

Benchmarking AlphaFold‐enabled molecular docking predictions for antibiotic discovery

F Wong, A Krishnan, EJ Zheng, H Stärk… - Molecular systems …, 2022 - embopress.org
Efficient identification of drug mechanisms of action remains a challenge. Computational
docking approaches have been widely used to predict drug binding targets; yet, such …