Guillem Casadevall
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View article: Engineered Leaf‐Branch Compost Cutinase with Enhanced PET Degradation Across a Broad Temperature Range
Engineered Leaf‐Branch Compost Cutinase with Enhanced PET Degradation Across a Broad Temperature Range Open
Enzymatic recycling of poly(ethylene terephthalate) (PET) possesses several advantages over chemical and physical recycling methods. However, many currently identified PET degrading enzymes perform poorly under industrially relevant condit…
View article: Emergence of a Distinctive Nucleophile Activation Mechanism in an Enantiocomplementary SNArase
Emergence of a Distinctive Nucleophile Activation Mechanism in an Enantiocomplementary SNArase Open
Nucleophilic aromatic substitutions (SNAr) are among the most widely used transformations in the pharmaceutical and agrochemical industries, however examples of selective catalytic processes are scarce. To address this limitation, our lab …
View article: Expanding the Repertoire of Photoswitchable Unnatural Amino Acids for Enzyme Engineering
Expanding the Repertoire of Photoswitchable Unnatural Amino Acids for Enzyme Engineering Open
Photoswitchable unnatural amino acids (psUAAs) play a crucial role in the engineering of light‐sensitivity in enzymes, which holds significant promise for diverse applications such as biotherapy and biocatalysis. Besides near‐quantitative …
View article: Erweiterung des Repertoires an lichtschaltbaren unnatürlichen Aminosäuren für das Enzym‐Engineering
Erweiterung des Repertoires an lichtschaltbaren unnatürlichen Aminosäuren für das Enzym‐Engineering Open
Zusammenfassung Lichtschaltbare unnatürliche Aminosäuren (lsUAs) spielen eine entscheidende Rolle bei der Entwicklung von lichtsensitiven Enzymen, was erhebliches Potenzial für vielfältige Anwendungen wie Biotherapie und Biokatalyse birgt.…
View article: Expanding the Repertoire of Photoswitchable Unnatural Amino Acids for Enzyme Engineering
Expanding the Repertoire of Photoswitchable Unnatural Amino Acids for Enzyme Engineering Open
Photoswitchable unnatural amino acids (psUAAs) play a crucial role in the engineering of light-sensitivity in enzymes, which holds significant promise for diverse applications such as biotherapy and biocatalysis. Besides near-quantitative …
View article: Fatty acid synthase (FASN) inhibition cooperates with BH3 mimetic drugs to overcome resistance to mitochondrial apoptosis in pancreatic cancer
Fatty acid synthase (FASN) inhibition cooperates with BH3 mimetic drugs to overcome resistance to mitochondrial apoptosis in pancreatic cancer Open
View article: Fatty Acid Synthase (Fasn) Inhibition Cooperates with Bh3 Mimetic Drugs to Overcome Resistance to Mitochondrial Apoptosis in Pancreatic Cancer
Fatty Acid Synthase (Fasn) Inhibition Cooperates with Bh3 Mimetic Drugs to Overcome Resistance to Mitochondrial Apoptosis in Pancreatic Cancer Open
View article: Harnessing conformational dynamics in enzyme catalysis to achieve nature-like catalytic efficiencies: the shortest path map tool for computational enzyme redesign
Harnessing conformational dynamics in enzyme catalysis to achieve nature-like catalytic efficiencies: the shortest path map tool for computational enzyme redesign Open
It is challenging to identify enzyme mutations that enhance specific conformational changes.We develop the shortest path map method to address this challenge.
View article: Designing Efficient Enzymes: Eight Predicted Mutations Convert a Hydroxynitrile Lyase into an Efficient Esterase
Designing Efficient Enzymes: Eight Predicted Mutations Convert a Hydroxynitrile Lyase into an Efficient Esterase Open
Hydroxynitrile lyase from rubber tree ( Hb HNL) shares 45% identical amino acid residues with the homologous esterase from tobacco, SABP2, but the two enzymes catalyze different reactions. The x-ray structures reveal a serine-histidine-asp…
View article: C–H Bonds as Functional Groups: Simultaneous Generation of Multiple Stereocenters by Enantioselective Hydroxylation at Unactivated Tertiary C–H Bonds
C–H Bonds as Functional Groups: Simultaneous Generation of Multiple Stereocenters by Enantioselective Hydroxylation at Unactivated Tertiary C–H Bonds Open
Enantioselective C-H oxidation is a standing chemical challenge foreseen as a powerful tool to transform readily available organic molecules into precious oxygenated building blocks. Here, we describe a catalytic enantioselective hydroxyla…
View article: CCDC 2209055: Experimental Crystal Structure Determination
CCDC 2209055: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2208949: Experimental Crystal Structure Determination
CCDC 2208949: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: AlphaFold2 and Deep Learning for Elucidating Enzyme Conformational Flexibility and Its Application for Design
AlphaFold2 and Deep Learning for Elucidating Enzyme Conformational Flexibility and Its Application for Design Open
The recent success of AlphaFold2 (AF2) and other deep learning (DL) tools in accurately predicting the folded three-dimensional (3D) structure of proteins and enzymes has revolutionized the structural biology and protein design fields. The…
View article: Estimating conformational heterogeneity of tryptophan synthase with a template‐based <scp>Alphafold2</scp> approach
Estimating conformational heterogeneity of tryptophan synthase with a template‐based <span>Alphafold2</span> approach Open
The three‐dimensional structure of the enzymes provides very relevant information on the arrangement of the catalytic machinery and structural elements gating the active site pocket. The recent success of the neural network Alphafold2 in p…