A5002774628- Protein Structure and Dynamics
- Enzyme Structure and Function
- RNA and protein synthesis mechanisms
- Antibiotic Resistance in Bacteria
- Pneumonia and Respiratory Infections
- Advanced Data Processing Techniques
- Biochemical and Structural Characterization
- Advanced Electron Microscopy Techniques and Applications
- Advanced NMR Techniques and Applications
- Machine Learning in Materials Science
- Pneumocystis jirovecii pneumonia detection and treatment
- Sperm and Testicular Function
- Mass Spectrometry Techniques and Applications
Institut de Biologia Molecular de Barcelona
2020-2024
Instituto de Química Médica
2023
The Collaborative Computational Project No. 4 (CCP4) is a UK-led international collective with mission to develop, test, distribute and promote software for macromolecular crystallography. CCP suite multiplatform collection of programs brought together by familiar execution routines, set common libraries graphical interfaces. has experienced several considerable changes since its last reference article, involving new infrastructure, original This which intended as general literature citation...
In late 2020, the results of CASP14, 14th event in a series competitions to assess latest developments computational protein structure-prediction methodology, revealed giant leap forward that had been made by Google's Deepmind tackling prediction problem. The level accuracy their predictions was first instance competitor achieving global distance test score better than 90 across all categories difficulty. This achievement represents both challenge and an opportunity for field experimental...
Abstract SPACA6 is a sperm-expressed surface protein that critical for gamete fusion during mammalian sexual reproduction. Despite this fundamental role, little known about how specifically functions. We elucidated the crystal structure of ectodomain at 2.2-Å resolution, revealing two-domain containing four-helix bundle and Ig-like β-sandwich connected via quasi-flexible linker. This reminiscent IZUMO1, another fusion-associated protein, making IZUMO1 founding members superfamily...
Structure predictions have matched the accuracy of experimental structures from close homologues, providing suitable models for molecular replacement phasing. Even in that present large differences due to relative movement domains or poorly predicted areas, very accurate regions tend be present. These are successful fragment-based phasing as implemented ARCIMBOLDO. The particularities inherently addressed new predicted_model mode, rendering preliminary treatment superfluous but also...
Fragment-based molecular replacement exploits the use of very accurate yet incomplete search models. In case ARCIMBOLDO programs, consistent phase sets produced from placement and refinement fragments with Phaser can be combined in order to increase their signal before proceeding step density modification autotracing SHELXE. The program ALIXE compares multiple sets, evaluating mean differences determine common origin, subsequently produces phases that group solutions. this work, its on...
ATP-binding cassette (ABC) transport systems are crucial for bacteria to ensure sufficient uptake of nutrients that not produced de novo or improve the energy balance. The cell surface pathobiont Streptococcus pneumoniae (pneumococcus) is decorated with a substantial array ABC transporters, critically influencing nasopharyngeal colonization and invasive infections. Given auxotrophic nature pneumococci certain amino acids, Ami transporter system, orchestrating oligopeptide uptake, becomes...
Abstract Crystallography at low resolution must determine the atomic model from less experimental observations, which is challenging in absence of a model. In addition, bias more severe when independent data are scarce. Our methods solve phase problem by combining location accurate fragments using Phaser with density modification and interpretation resulting maps SHELXE. From partial, correct structure, process stereochemical constraints draw rest validating result. This same principle now...
Abstract SPACA6 is a sperm-expressed surface protein that critical for gamete fusion during mammalian sexual reproduction. Despite this fundamental role, little known about how specifically functions. We elucidated the crystal structure of at 2.2-Å resolution, revealing two-domain containing four-helix bundle and Ig-like β-sandwich connected via quasi-flexible linker. Based on structural analysis, we propose founding member superfamily fusion-associated proteins, herein dubbed IST...
Abstract ATP-binding cassette (ABC) transport systems are crucial for bacteria to ensure sufficient uptake of nutrients that not produced de novo or improve the energy balance. The cell surface pathobiont Streptococcus pneumoniae (pneumococcus) is decorated with a substantial array ABC transporters, critically influencing nasopharyngeal colonization and invasive infections. Given auxotrophic nature pneumococci certain amino acids, Ami transporter system, orchestrating oligopeptide uptake,...