Search Results - "Caaveiro, Jose M."
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Affinity improvement of a therapeutic antibody by structure-based computational design: generation of electrostatic interactions in the transition state stabilizes the antibody-antigen complex
Published in PloS one (27-01-2014)“…The optimization of antibodies is a desirable goal towards the development of better therapeutic strategies. The antibody 11K2 was previously developed as a…”
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Selective and reversible modification of kinase cysteines with chlorofluoroacetamides
Published in Nature chemical biology (01-03-2019)“…Irreversible inhibition of disease-associated proteins with small molecules is a powerful approach for achieving increased and sustained pharmacological…”
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3
Structural analysis of Fc/FcγR complexes: a blueprint for antibody design
Published in Immunological reviews (01-11-2015)“…Summary The number of studies and the quality of the structural data of Fcγ receptors (FcγRs) has rapidly increased in the last few years. Upon critical…”
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Structural basis for the recognition of human hemoglobin by the heme-acquisition protein Shr from Streptococcus pyogenes
Published in Scientific reports (05-03-2024)“…In Gram-positive bacteria, sophisticated machineries to acquire the heme group of hemoglobin (Hb) have evolved to extract the precious iron atom contained in…”
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Discovery and Optimization of Inhibitors of the Parkinson’s Disease Associated Protein DJ‑1
Published in ACS chemical biology (21-09-2018)“…DJ-1 is a Parkinson’s disease associated protein endowed with enzymatic, redox sensing, regulatory, chaperoning, and neuroprotective activities. Although DJ-1…”
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Bidirectional Transformation of a Metamorphic Protein between the Water-Soluble and Transmembrane Native States
Published in Biochemistry (Easton) (24-11-2015)“…The bidirectional transformation of a protein between its native water-soluble and integral transmembrane conformations is demonstrated for FraC, a hemolytic…”
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Tyrosine Sulfation Restricts the Conformational Ensemble of a Flexible Peptide, Strengthening the Binding Affinity for an Antibody
Published in Biochemistry (Easton) (17-07-2018)“…Protein tyrosine sulfation (PTS) is a post-translational modification regulating numerous biological events. PTS generally occurs at flexible regions of…”
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Haemolytic actinoporins interact with carbohydrates using their lipid-binding module
Published in Philosophical transactions of the Royal Society of London. Series B. Biological sciences (05-08-2017)“…Pore-forming toxins (PFTs) are proteins endowed with metamorphic properties that enable them to stably fold in water solutions as well as in cellular…”
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Molecular basis for thermal stability and affinity in a VHH: Contribution of the framework region and its influence in the conformation of the CDR3
Published in Protein science (01-11-2022)“…The camelid single domain antibody, referred to VHH or Nanobody, is considered a versatile tool for various biotechnological and clinical applications because…”
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Glycosylation of IgG-Fc: a molecular perspective
Published in International immunology (01-07-2017)“…Antibodies of the IgG class carry a pair of oligosaccharides (N-glycans) in the Fc region. The importance of the N-glycan is clearly demonstrated by its…”
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Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease
Published in Journal of medicinal chemistry (27-10-2022)“…The coronavirus disease 2019 (COVID-19) pandemic has necessitated the development of antiviral agents against severe acute respiratory syndrome coronavirus 2…”
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Differential Effect of Membrane Composition on the Pore-Forming Ability of Four Different Sea Anemone Actinoporins
Published in Biochemistry (Easton) (06-12-2016)“…Sea anemone actinoporins constitute a protein family of multigene pore-forming toxins (PFT). Equinatoxin II (EqtII), fragaceatoxin C (FraC), and sticholysins I…”
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Structural and Thermodynamic Basis of Epitope Binding by Neutralizing and Nonneutralizing Forms of the Anti-HIV-1 Antibody 4E10
Published in Journal of virology (01-12-2015)“…The 4E10 antibody recognizes the membrane-proximal external region (MPER) of the HIV-1 Env glycoprotein gp41 transmembrane subunit, exhibiting one of the…”
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Ca2+‐induced structural changes and intramolecular interactions in N‐terminal region of diacylglycerol kinase alpha
Published in Protein science (01-07-2022)“…Diacylglycerol kinases (DGKs) are multi‐domain lipid kinases that modulate the levels of lipid messengers, diacylglycerol, and phosphatidic acid. Recently,…”
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Heme Binding Mechanism of Structurally Similar Iron-Regulated Surface Determinant Near Transporter Domains of Staphylococcus aureus Exhibiting Different Affinities for Heme
Published in Biochemistry (Easton) (10-12-2013)“…Near transporter (NEAT) domains of the iron-regulated surface determinant (Isd) proteins are essential for the import of nutritional heme from host animals to…”
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Computer-guided library generation applied to the optimization of single-domain antibodies
Published in Protein engineering, design and selection (31-12-2019)“…Computer-guided library generation is a plausible strategy to optimize antibodies. Herein, we report the improvement of the affinity of a single-domain camelid…”
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Testing Geometrical Discrimination within an Enzyme Active Site: Constrained Hydrogen Bonding in the Ketosteroid Isomerase Oxyanion Hole
Published in Journal of the American Chemical Society (15-10-2008)“…Enzymes are classically proposed to accelerate reactions by binding substrates within active-site environments that are structurally preorganized to optimize…”
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Molecular recognition of a membrane-anchored HIV-1 pan-neutralizing epitope
Published in Communications biology (18-11-2022)“…Antibodies against the carboxy-terminal section of the membrane-proximal external region (C-MPER) of the HIV-1 envelope glycoprotein (Env) are considered as…”
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Unfolding is the driving force for mitochondrial import and degradation of the Parkinson's disease-related protein DJ-1
Published in Journal of cell science (15-11-2021)“…Diverse genes associated with familial Parkinson's disease (familial Parkinsonism) have been implicated in mitochondrial quality control. One such gene, PARK7…”
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Molecular Basis of Recognition of Antibacterial Porphyrins by Heme-Transporter IsdH-NEAT3 of Staphylococcus aureus
Published in Biochemistry (Easton) (30-08-2011)“…Antibiotic resistance is increasingly seen as a serious problem that threatens public health and erodes our capacity to effectively combat disease. So-called…”
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