Search Results - "Hawkins, Alastair"

Glycan complexity dictates microbial resource allocation in the large intestine by Rogowski, Artur, Briggs, Jonathon A., Mortimer, Jennifer C., Tryfona, Theodora, Terrapon, Nicolas, Lowe, Elisabeth C., Baslé, Arnaud, Morland, Carl, Day, Alison M., Zheng, Hongjun, Rogers, Theresa E., Thompson, Paul, Hawkins, Alastair R., Yadav, Madhav P., Henrissat, Bernard, Martens, Eric C., Dupree, Paul, Gilbert, Harry J., Bolam, David N.

“…The structure of the human gut microbiota is controlled primarily through the degradation of complex dietary carbohydrates, but the extent to which…”
Get full text

Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight by Rodríguez, Ángela, Maneiro, María, Lence, Emilio, Otero, José M, van Raaij, Mark J, Thompson, Paul, Hawkins, Alastair R, González-Bello, Concepción

“…Irreversible inhibition of the enzyme type I dehydroquinase (DHQ1), a promising target for anti-virulence drug development, has been explored by enhancing the…”
Get full text

Self‐Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product by Lence, Emilio, Maneiro, María, Sanz‐Gaitero, Marta, Raaij, Mark J., Thompson, Paul, Hawkins, Alastair R., González‐Bello, Concepción

“…Disabling the bacterial capacity to cause infection is an innovative approach that has attracted significant attention to fight against superbugs. A relevant…”
Get full text

Crystal structure of NucB, a biofilm-degrading endonuclease by Baslé, Arnaud, Hewitt, Lorraine, Koh, Alan, Lamb, Heather K, Thompson, Paul, Burgess, J Grant, Hall, Michael J, Hawkins, Alastair R, Murray, Heath, Lewis, Richard J

“…Abstract Bacterial biofilms are a complex architecture of cells that grow on moist interfaces, and are held together by a molecular glue of extracellular…”
Get full text

Mycobacterium tuberculosis Shikimate Kinase Inhibitors: Design and Simulation Studies of the Catalytic Turnover by Blanco, Beatriz, Prado, Verónica, Lence, Emilio, Otero, José M, Garcia-Doval, Carmela, van Raaij, Mark J, Llamas-Saiz, Antonio L, Lamb, Heather, Hawkins, Alastair R, González-Bello, Concepción

“…Shikimate kinase (SK) is an essential enzyme in several pathogenic bacteria and does not have any counterpart in human cells, thus making it an attractive…”
Get full text

Matriptase Induction of Metalloproteinase‐Dependent Aggrecanolysis In Vitro and In Vivo: Promotion of Osteoarthritic Cartilage Damage by Multiple Mechanisms by Wilkinson, David J., Habgood, Angela, Lamb, Heather K., Thompson, Paul, Hawkins, Alastair R., Désilets, Antoine, Leduc, Richard, Steinmetzer, Torsten, Hammami, Maya, Lee, Melody S., Craik, Charles S., Watson, Sharon, Lin, Hua, Milner, Jennifer M., Rowan, Andrew D.

“…Objective To assess the ability of matriptase, a type II transmembrane serine proteinase, to promote aggrecan loss from the cartilage of patients with…”
Get full text

Mechanistic insight into the reaction catalysed by bacterial type II dehydroquinases by Coderch, Claire, Lence, Emilio, Peón, Antonio, Lamb, Heather, Hawkins, Alastair R, Gago, Federico, González-Bello, Concepción

“…DHQ2 (type II dehydroquinase), which is an essential enzyme in Helicobacter pylori and Mycobacterium tuberculosis and does not have any counterpart in humans,…”
Get more information

Chemical Modification of a Dehydratase Enzyme Involved in Bacterial Virulence by an Ammonium Derivative: Evidence of its Active Site Covalent Adduct by González-Bello, Concepción, Tizón, Lorena, Lence, Emilio, Otero, José M, van Raaij, Mark J, Martinez-Guitian, Marta, Beceiro, Alejandro, Thompson, Paul, Hawkins, Alastair R

“…The first example of an ammonium derivative that causes a specific modification of the active site of type I dehydroquinase (DHQ1), a dehydratase enzyme that…”
Get full text

Freezing the Dynamic Gap for Selectivity: Motion-Based Design of Inhibitors of the Shikimate Kinase Enzyme by Prado, Verónica, Lence, Emilio, Thompson, Paul, Hawkins, Alastair R., González-Bello, Concepción

“…Shikimate kinase (SK), the fifth enzyme of the aromatic amino acid biosynthesis, is a recognized target for antibiotic drug discovery. The potential of the…”
Get full text

Frontispiece: Freezing the Dynamic Gap for Selectivity: Motion-Based Design of Inhibitors of the Shikimate Kinase Enzyme by Prado, Verónica, Lence, Emilio, Thompson, Paul, Hawkins, Alastair R., González-Bello, Concepción

“…Inhibitors Enzymes are “dynamic” systems that are able to adopt diverse conformations during catalysis—an open conformation (OFF) for product release and a…”
Get full text

Targeting the Motion of Shikimate Kinase: Development of Competitive Inhibitors that Stabilize an Inactive Open Conformation of the Enzyme by Prado, Verónica, Lence, Emilio, Maneiro, María, Vázquez-Ucha, Juan C, Beceiro, Alejandro, Thompson, Paul, Hawkins, Alastair R, González-Bello, Concepción

“…The large conformational changes observed by Molecular Dynamics simulation studies on the product release in the LID and shikimic acid binding (SB) domains of…”
Get full text

Insights into substrate binding and catalysis in bacterial type I dehydroquinase by Maneiro, María, Peón, Antonio, Lence, Emilio, Otero, José M, Van Raaij, Mark J, Thompson, Paul, Hawkins, Alastair R, González-Bello, Concepción

“…Structural, biochemical and computational studies to study substrate binding and the role of the conserved residues of the DHQ1 (type I dehydroquinase) enzyme…”
Get more information

Study of the Phosphoryl-Transfer Mechanism of Shikimate Kinase by NMR Spectroscopy by Prado, Verónica, Lence, Emilio, Vallejo, Juan A., Beceiro, Alejandro, Thompson, Paul, Hawkins, Alastair R., González-Bello, Concepción

“…The phosphoryl‐transfer mechanism of shikimate kinase from Mycobacterium tuberculosis and Helicobacter pylori, which is an attractive target for antibiotic…”
Get full text

Structures of R- and T-state Escherichia coli Aspartokinase III: MECHANISMS OF THE ALLOSTERIC TRANSITION AND INHIBITION BY LYSINE by Kotaka, Masayo, Ren, Jingshan, Lockyer, Michael, Hawkins, Alastair R, Stammers, David K

“…Aspartokinase III (AKIII) from Escherichia coli catalyzes an initial commitment step of the aspartate pathway, giving biosynthesis of certain amino acids…”
Get full text

Reducing the Flexibility of Type II Dehydroquinase for Inhibition: A Fragment‐Based Approach and Molecular Dynamics Study by Peón, Antonio, Robles, Adrián, Blanco, Beatriz, Convertino, Marino, Thompson, Paul, Hawkins, Alastair R., Caflisch, Amedeo, González‐Bello, Concepción

“…A multidisciplinary approach was used to identify and optimize a quinazolinedione‐based ligand that would decrease the flexibility of the substrate‐covering…”
Get full text

Irreversible covalent modification of type I dehydroquinase with a stable Schiff base by Tizón, Lorena, Maneiro, María, Peón, Antonio, Otero, José M, Lence, Emilio, Poza, Sergio, van Raaij, Mark J, Thompson, Paul, Hawkins, Alastair R, González-Bello, Concepción

“…The irreversible inhibition of type I dehydroquinase (DHQ1), the third enzyme of the shikimic acid pathway, is investigated by structural, biochemical and…”
Get more information

Synthesis of 3-alkyl enol mimics inhibitors of type II dehydroquinase: factors influencing their inhibition potency by Blanco, Beatriz, Sedes, Antía, Peón, Antonio, Lamb, Heather, Hawkins, Alastair R, Castedo, Luis, González-Bello, Concepción

“…Several 3-alkylaryl mimics of the enol intermediate in the reaction catalyzed by type II dehydroquinase were synthesized to investigate the effect on the…”
Get more information

Exploring the Water-Binding Pocket of the Type II Dehydroquinase Enzyme in the Structure-Based Design of Inhibitors by Blanco, Beatriz, Sedes, Antía, Peón, Antonio, Otero, José M, van Raaij, Mark J, Thompson, Paul, Hawkins, Alastair R, González-Bello, Concepción

“…Structural and computational studies to explore the WAT1 binding pocket in the structure-based design of inhibitors against the type II dehydroquinase (DHQ2)…”
Get full text

A Prodrug Approach for Improving Antituberculosis Activity of Potent Mycobacterium tuberculosis Type II Dehydroquinase Inhibitors by Tizón, Lorena, Otero, José M, Prazeres, Verónica F. V, Llamas-Saiz, Antonio L, Fox, Gavin C, van Raaij, Mark J, Lamb, Heather, Hawkins, Alastair R, Ainsa, José A, Castedo, Luis, González-Bello, Concepción

“…The synthesis of high-affinity reversible competitive inhibitors of Mycobacterium tuberculosis type II dehydroquinase, an essential enzyme in Mycobacterium…”
Get full text

The transcription repressor NmrA is subject to proteolysis by three Aspergillus nidulans proteases by Zhao, Xiao, Hume, Samantha L., Johnson, Christopher, Thompson, Paul, Huang, Junyong, Gray, Joe, Lamb, Heather K., Hawkins, Alastair R.

“…The role of specific cleavage of transcription repressor proteins by proteases and how this may be related to the emerging theme of dinucleotides as cellular…”
Get full text