Multifaceted computational modeling in glycoscience

S Perez, O Makshakova - Chemical Reviews, 2022 - ACS Publications
Glycoscience assembles all the scientific disciplines involved in studying various molecules
and macromolecules containing carbohydrates and complex glycans. Such an ensemble …

The CCP4 suite: integrative software for macromolecular crystallography

J Agirre, M Atanasova, H Bagdonas… - Biological …, 2023 - journals.iucr.org
The Collaborative Computational Project No. 4 (CCP4) is a UK-led international collective
with a mission to develop, test, distribute and promote software for macromolecular …

Site-specific glycan analysis of the SARS-CoV-2 spike

Y Watanabe, JD Allen, D Wrapp, JS McLellan… - Science, 2020 - science.org
The emergence of the betacoronavirus, severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2), the causative agent of coronavirus disease 2019 (COVID-19), represents a …

Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data

A Casañal, B Lohkamp, P Emsley - Protein Science, 2020 - Wiley Online Library
Coot is a tool widely used for model building, refinement, and validation of macromolecular
structures. It has been extensively used for crystallography and, more recently …

Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate

S Bangaru, G Ozorowski, HL Turner, A Antanasijevic… - Science, 2020 - science.org
Vaccine efforts to combat the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2), which is responsible for the current coronavirus disease 2019 (COVID-19) pandemic, are …

Vulnerabilities in coronavirus glycan shields despite extensive glycosylation

Y Watanabe, ZT Berndsen, J Raghwani… - Nature …, 2020 - nature.com
Severe acute respiratory syndrome (SARS) and Middle East respiratory syndrome (MERS)
coronaviruses (CoVs) are zoonotic pathogens with high fatality rates and pandemic …

Sialoglycan binding triggers spike opening in a human coronavirus

MF Pronker, R Creutznacher, I Drulyte, RJG Hulswit… - Nature, 2023 - nature.com
Coronavirus spike proteins mediate receptor binding and membrane fusion, making them
prime targets for neutralizing antibodies. In the cases of severe acute respiratory syndrome …

Structure of a human synaptic GABAA receptor

S Zhu, CM Noviello, J Teng, RM Walsh Jr, JJ Kim… - Nature, 2018 - nature.com
Fast inhibitory neurotransmission in the brain is principally mediated by the neurotransmitter
GABA (γ-aminobutyric acid) and its synaptic target, the type A GABA receptor (GABAA …

Native-like SARS-CoV-2 spike glycoprotein expressed by ChAdOx1 nCoV-19/AZD1222 vaccine

Y Watanabe, L Mendonça, ER Allen, A Howe… - ACS central …, 2021 - ACS Publications
Vaccine development against the SARS-CoV-2 virus focuses on the principal target of the
neutralizing immune response, the spike (S) glycoprotein. Adenovirus-vectored vaccines …

Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens

G Ueda, A Antanasijevic, JA Fallas, W Sheffler… - Elife, 2020 - elifesciences.org
Multivalent presentation of viral glycoproteins can substantially increase the elicitation of
antigen-specific antibodies. To enable a new generation of anti-viral vaccines, we designed …