Structural aspects of the allergen-antibody interaction

A Pomés, GA Mueller, M Chruszcz - Frontiers in immunology, 2020 - frontiersin.org
The development of allergic disease involves the production of IgE antibodies upon allergen
exposure in a process called sensitization. IgE binds to receptors on the surface of mast …

Ensembles in solution as a new paradigm for antibody structure prediction and design

ML Fernández-Quintero, G Georges, JM Varga… - MAbs, 2021 - Taylor & Francis
The rise of antibodies as a promising and rapidly growing class of biotherapeutic proteins
has motivated numerous studies to characterize and understand antibody structures. In the …

Challenges in antibody structure prediction

ML Fernández-Quintero, J Kokot, F Waibl, ALM Fischer… - MAbs, 2023 - Taylor & Francis
Advances in structural biology and the exponential increase in the amount of high-quality
experimental structural data available in the Protein Data Bank has motivated numerous …

Antibodies exhibit multiple paratope states influencing VH–VL domain orientations

ML Fernández-Quintero, ND Pomarici, BA Math… - Communications …, 2020 - nature.com
In the last decades, antibodies have emerged as one of the most important and successful
classes of biopharmaceuticals. The highest variability and diversity of an antibody is …

Mutation of framework residue H71 results in different antibody paratope states in solution

ML Fernández-Quintero, KB Kroell, F Hofer… - Frontiers in …, 2021 - frontiersin.org
Characterizing and understanding the antibody binding interface have become a pre-
requisite for rational antibody design and engineering. The antigen-binding site is formed by …

Conformational ensembles of antibodies determine their hydrophobicity

F Waibl, ML Fernández-Quintero, AS Kamenik… - Biophysical …, 2021 - cell.com
A major challenge in the development of antibody biotherapeutics is their tendency to
aggregate. One root cause for aggregation is exposure of hydrophobic surface regions to …

Antibody CDR loops as ensembles in solution vs. canonical clusters from X-ray structures

ML Fernández-Quintero, MC Heiss, ND Pomarici… - MAbs, 2020 - Taylor & Francis
In the past decade, the relevance of antibodies as therapeutics has increased substantially.
Therefore, structural and functional characterization, in particular of the complementarity …

Germline-Dependent Antibody Paratope States and Pairing Specific VH-VL Interface Dynamics

ML Fernández-Quintero, KB Kroell, LM Bacher… - Frontiers in …, 2021 - frontiersin.org
Antibodies have emerged as one of the fastest growing classes of biotherapeutic proteins.
To improve the rational design of antibodies, we investigate the conformational diversity of …

T-cell receptor CDR3 loop conformations in solution shift the relative Vα-Vβ domain distributions

ML Fernández-Quintero, ND Pomarici… - Frontiers in …, 2020 - frontiersin.org
T-cell receptors are an important part in the adaptive immune system as they are
responsible for detecting foreign proteins presented by the major histocompatibility complex …

Surprisingly fast interface and elbow angle dynamics of antigen-binding fragments

ML Fernández-Quintero, KB Kroell… - Frontiers in Molecular …, 2020 - frontiersin.org
Fab consist of a heavy and light chain and can be subdivided into a variable (VH and VL)
and a constant region (CH 1 and CL). The variable region contains the complementarity …