J. Kopec

A novel fusion tool to enable G protein-coupled receptor structure determination

Nita R. Shah, Mathieu Oosterlaken, Claudine Bisson, Mattia Bertinelli et autres

Structure determination of G protein-coupled receptors (GPCRs) plays an important role in accelerating drug development against this medically important protein family. This study outlines the development of a new fusion tool to enable structure determination of GPCRs in inactive conformations by cryo-EM. …

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Real-World Applications and Experiences of AI/ML Deployment for Drug Discovery

William R. Pitt, Jonathan M. Bentley, Christophe Boldron, Lionel Colliandre et autres

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PIRATE: Plundering AlphaFold Predictions to Automate Protein Engineering

Graham M. Richardson, J. Kopec, Carmen Esposito, Tim James

Abstract An important characteristic for many proteins is the presence of flexible loops or linkers known as intrinsically disordered regions. One downside to many of the state-of-the-art disorder prediction approaches is that they require significant computational time for each inference. Here, we …

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H2S biogenesis by cystathionine beta-synthase: mechanism of inhibition by aminooxyacetic acid and unexpected role of serine

Maria Petrosino, Karim Zuhra, J. Kopec, Andrew Hutchin et autres

Abstract Cystathionine beta-synthase (CBS) is a pivotal enzyme of the transsulfuration pathway responsible for diverting homocysteine to the biosynthesis of cysteine and production of hydrogen sulfide (H2S). Aberrant upregulation of CBS and overproduction of H2S contribute to pathophysiology of several diseases including …

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Human Methylene- tetrahydrofolate reductase (MTHFR) A Target Enabling Package (TEP)

J. Kopec, G.A. Bezerra, William R. Foster, Terttu Suormala et autres

The folate and methionine cycles are essential metabolic pathways for life, involved respectively in DNA synthesis and generation of the ubiquitous methyl donor S-adenosylmethionine (SAM). The enzyme 5,10-methylenetetrahydrofolate reductase (MTHFR) represents a key regulatory connection between these cycles, hence exerting a strong …

gb, ch, us (code pays fourni par la source)

Human Methylene- tetrahydrofolate reductase (MTHFR) A Target Enabling Package (TEP)

J. Kopec, G.A. Bezerra, William R. Foster, Terttu Suormala et autres

The folate and methionine cycles are essential metabolic pathways for life, involved respectively in DNA synthesis and generation of the ubiquitous methyl donor S-adenosylmethionine (SAM). The enzyme 5,10-methylenetetrahydrofolate reductase (MTHFR) represents a key regulatory connection between these cycles, hence exerting a strong …

gb, ch, us (code pays fourni par la source)

Human Methylene- tetrahydrofolate reductase (MTHFR) A Target Enabling Package (TEP)

J. Kopec, G.A. Bezerra, William R. Foster, Terttu Suormala et autres

The folate and methionine cycles are essential metabolic pathways for life, involved respectively in DNA synthesis and generation of the ubiquitous methyl donor S-adenosylmethionine (SAM). The enzyme 5,10-methylenetetrahydrofolate reductase (MTHFR) represents a key regulatory connection between these cycles, hence exerting a strong …

gb, ch, us (code pays fourni par la source)

Human Methylene- tetrahydrofolate reductase (MTHFR) A Target Enabling Package (TEP)

J. Kopec, G.A. Bezerra, William R. Foster, Terttu Suormala et autres

The folate and methionine cycles are essential metabolic pathways for life, involved respectively in DNA synthesis and generation of the ubiquitous methyl donor S-adenosylmethionine (SAM). The enzyme 5,10-methylenetetrahydrofolate reductase (MTHFR) represents a key regulatory connection between these cycles, hence exerting a strong …

gb, ch, us (code pays fourni par la source)

Human Methylene- tetrahydrofolate reductase (MTHFR) A Target Enabling Package (TEP)

J. Kopec, G.A. Bezerra, William R. Foster, Terttu Suormala et autres

The folate and methionine cycles are essential metabolic pathways for life, involved respectively in DNA synthesis and generation of the ubiquitous methyl donor S-adenosylmethionine (SAM). The enzyme 5,10-methylenetetrahydrofolate reductase (MTHFR) represents a key regulatory connection between these cycles, hence exerting a strong …

gb, ch, us (code pays fourni par la source)

Human Galatose-1-phosphate Uridylyltransferase (GALT), Galactokinase 1 (GALK1); A Target Enabling Package

G.A. Bezerra, Sabrina MacKinnon, Thomas J. McCorvie, Minghao Zhang et autres

This project describes a drug discovery plan for Classic Galactosemia, a rare disorder of galactose metabolism where there is currently no disease-transforming therapy. This TEP provides the protein reagents, biophysical assays, and structural information to facilitate two aspects of galactosemia research: (i) …

gb, us (code pays fourni par la source)

Human Galatose-1-phosphate Uridylyltransferase (GALT)

G.A. Bezerra, Sabrina MacKinnon, Thomas J. McCorvie, Minghao Zhang et autres

This project describes a drug discovery plan for Classic Galactosemia, a rare disorder of galactose metabolism where there is currently no disease-transforming therapy. This TEP provides the protein reagents, biophysical assays, and structural information to facilitate two aspects of galactosemia research: (i) …

gb, us (code pays fourni par la source)

Human Galatose-1-phosphate Uridylyltransferase (GALT), Galactokinase 1 (GALK1); A Target Enabling Package

G.A. Bezerra, Sabrina MacKinnon, Thomas J. McCorvie, Minghao Zhang et autres

This project describes a drug discovery plan for Classic Galactosemia, a rare disorder of galactose metabolism where there is currently no disease-transforming therapy. This TEP provides the protein reagents, biophysical assays, and structural information to facilitate two aspects of galactosemia research: (i) …

gb, us (code pays fourni par la source)