Protein Data Bank (PDB): the single global macromolecular structure archive

SK Burley, HM Berman, GJ Kleywegt… - … : methods and protocols, 2017 - Springer
Abstract The Protein Data Bank (PDB)––the single global repository of experimentally
determined 3D structures of biological macromolecules and their complexes––was …

The RCSB protein data bank: integrative view of protein, gene and 3D structural information

PW Rose, A Prlić, A Altunkaya, C Bi… - Nucleic acids …, 2016 - academic.oup.com
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB, http://rcsb. org), the US data center for the global PDB archive, makes PDB data freely …

Synchrotron big data science

C Wang, U Steiner, A Sepe - Small, 2018 - Wiley Online Library
The rapid development of synchrotrons has massively increased the speed at which
experiments can be performed, while new techniques have increased the amount of raw …

Validation of structures in the Protein Data Bank

S Gore, ES García, PMS Hendrickx, A Gutmanas… - Structure, 2017 - cell.com
The Worldwide PDB recently launched a deposition, biocuration, and validation tool:
OneDep. At various stages of OneDep data processing, validation reports for three …

Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED

MJ De La Cruz, J Hattne, D Shi, P Seidler… - Nature …, 2017 - nature.com
Traditionally, crystallographic analysis of macromolecules has depended on large, well-
ordered crystals, which often require significant effort to obtain. Even sizable crystals …

Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain

A Javorsky, PO Humbert, M Kvansakul - Communications biology, 2021 - nature.com
SARS-CoV-2 infection leads to coronavirus disease 2019 (COVID-19), which is associated
with severe and life-threatening pneumonia and respiratory failure. However, the molecular …

Towards the accurate modelling of antibody− antigen complexes from sequence using machine learning and information-driven docking

M Giulini, C Schneider, D Cutting, N Desai… - …, 2024 - academic.oup.com
Motivation Antibody− antigen complex modelling is an important step in computational
workflows for therapeutic antibody design. While experimentally determined structures of …

Modeling antibody-antigen complexes by information-driven docking

F Ambrosetti, B Jiménez-García, J Roel-Touris… - Structure, 2020 - cell.com
Antibodies are Y-shaped proteins essential for immune response. Their capability to
recognize antigens with high specificity makes them excellent therapeutic targets …

Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis

N Popgeorgiev, JD Sa, L Jabbour, S Banjara… - Science …, 2020 - science.org
In metazoans, Bcl-2 family proteins are major regulators of mitochondrially mediated
apoptosis; however, their evolution remains poorly understood. Here, we describe the …