Glycans in drug discovery

P Valverde, A Ardá, NC Reichardt… - …, 2019 - pubs.rsc.org
Glycans are key players in many biological processes. They are essential for protein folding
and stability and act as recognition elements in cell–cell and cell–matrix interactions. Thus …

The recognition of glycans by protein receptors. Insights from NMR spectroscopy

A Ardá, J Jiménez-Barbero - Chemical Communications, 2018 - pubs.rsc.org
Carbohydrates (glycans, saccharides, sugars) are everywhere. In fact, glycan–protein
interactions are involved in many essential processes of life and disease. The …

Partially open HIV-1 envelope structures exhibit conformational changes relevant for coreceptor binding and fusion

H Wang, CO Barnes, Z Yang, MC Nussenzweig… - Cell Host & Microbe, 2018 - cell.com
HIV-1 Env, a trimer of gp120-gp41 heterodimers, mediates membrane fusion after binding
host receptor CD4. Receptor binding displaces V1V2 loops from Env's apex, allowing …

Automatically fixing errors in glycoprotein structures with Rosetta

B Frenz, S Rämisch, AJ Borst, AC Walls… - Structure, 2019 - cell.com
Recent advances in single-particle cryo-electron microscopy (cryoEM) have resulted in
determination of an increasing number of protein structures with resolved glycans. However …

Structural characterization of a highly-potent V3-glycan broadly neutralizing antibody bound to natively-glycosylated HIV-1 envelope

CO Barnes, HB Gristick, NT Freund, A Escolano… - Nature …, 2018 - nature.com
Broadly neutralizing antibodies (bNAbs) isolated from HIV-1-infected individuals inform HIV-
1 vaccine design efforts. Develo** bNAbs with increased efficacy requires understanding …

Structural analysis of the glycoprotein complex avidin by tandem-trapped ion mobility spectrometry–mass spectrometry (tandem-TIMS/MS)

FC Liu, TC Cropley, ME Ridgeway, MA Park… - Analytical …, 2020 - ACS Publications
Glycoproteins play a central role in many biological processes including disease
mechanisms. Nevertheless, because glycoproteins are heterogeneous entities, it remains …

Unprecedented Role of Hybrid N-Glycans as Ligands for HIV-1 Broadly Neutralizing Antibodies

VS Shivatare, SS Shivatare, CCD Lee… - Journal of the …, 2018 - ACS Publications
The development of an HIV vaccine has been hampered by the extraordinary mutability and
genetic diversity of the virus, particularly the substantial sequence diversity of gp120 and gp …

Online carbohydrate 3D structure validation with the Privateer web app

JS Dialpuri, H Bagdonas, LC Schofield… - Structural Biology and …, 2024 - journals.iucr.org
Owing to the difficulties associated with working with carbohydrates, validating glycan 3D
structures prior to deposition into the Protein Data Bank has become a staple of the structure …

Subtle longitudinal alterations in Env sequence potentiate differences in sensitivity to broadly neutralizing antibodies following acute HIV-1 subtype C infection

T Mandizvo, N Gumede, B Ndlovu, S Ndlovu… - Journal of …, 2022 - journals.asm.org
Broadly neutralizing antibodies (bNAbs) for HIV-1 prevention or cure strategies must inhibit
transmitted/founder and reservoir viruses. Establishing sensitivity of circulating viruses to …

Leveraging glycomics data in glycoprotein 3D structure validation with Privateer

H Bagdonas, D Ungar, J Agirre - Beilstein Journal of Organic …, 2020 - beilstein-journals.org
The heterogeneity, mobility and complexity of glycans in glycoproteins have been, and
currently remain, significant challenges in structural biology. These aspects present unique …