List of works - Iain W McNae

2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity

scientific article published on March 2004

A new family of covalent inhibitors block nucleotide binding to the active site of pyruvate kinase.

scientific article

Allosteric Mechanism of Pyruvate Kinase from Leishmania mexicana Uses a Rock and Lock Model

scientific article

An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.

scientific article published on 31 May 2018

An improved strategy for the crystallization ofLeishmania mexicanapyruvate kinase

scientific article

Bivalent enzyme inhibitors discovered using dynamic covalent chemistry

scientific article

Crystal structures of Leishmania mexicana phosphoglycerate mutase suggest a one-metal mechanism and a new enzyme subclass

scientific article

Crystallization and X-ray structure of cold-shock protein E fromSalmonella typhimurium

scientific article

Crystallographic and mass spectrometric characterisation of eIF4E with N7-alkylated cap derivatives

scientific article

Design, synthesis and trypanocidal activity of lead compounds based on inhibitors of parasite glycolysis

scientific article

Expression, purification, crystallization and preliminary crystallographic analysis of Leishmania mexicana phosphoglycerate mutase

scientific article published on 27 June 2003

Half-sandwich arene ruthenium(II)-enzyme complex

scientific article

Identification of ML251, a Potent Inhibitor of T. brucei and T. cruzi Phosphofructokinase

scientific article

MeCP2 binding to DNA depends upon hydration at methyl-CpG

scientific article

Phosphoglycerate mutase from Trypanosoma brucei is hyperactivated by cobalt in vitro, but not in vivo

scientific article published on 13 October 2011

Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.

scientific article published on 30 June 2017

Pyrazolo[4,3-d]pyrimidine bioisostere of roscovitine: evaluation of a novel selective inhibitor of cyclin-dependent kinases with antiproliferative activity

scientific article

Pyruvate kinases have an intrinsic and conserved decarboxylase activity

scientific article

Redox regulation of pyruvate kinase M2 by cysteine oxidation and S-nitrosation

scientific article published on 31 October 2018

Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity

scientific article

Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.

scientific article published on 4 September 2017

Structures of pyruvate kinases display evolutionarily divergent allosteric strategies

scientific article

The Trypanocidal Drug Suramin and Other Trypan Blue Mimetics Are Inhibitors of Pyruvate Kinases and Bind to the Adenosine Site

scientific article

The crystal structure of ATP-bound phosphofructokinase from Trypanosoma brucei reveals conformational transitions different from those of other phosphofructokinases

scientific article

The first crystal structure of phosphofructokinase from a eukaryote: Trypanosoma brucei

scientific article

The kinetic characteristics of human and trypanosomatid phosphofructokinases for the reverse reaction

scientific article published on 18 January 2019

Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using Biacore™ T200.

scientific article

`In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase

scientific article

List of works by Iain W McNae

2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity

A new family of covalent inhibitors block nucleotide binding to the active site of pyruvate kinase.

Allosteric Mechanism of Pyruvate Kinase from Leishmania mexicana Uses a Rock and Lock Model

An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.

An improved strategy for the crystallization ofLeishmania mexicanapyruvate kinase

Bivalent enzyme inhibitors discovered using dynamic covalent chemistry

Crystal structures of Leishmania mexicana phosphoglycerate mutase suggest a one-metal mechanism and a new enzyme subclass

Crystallization and X-ray structure of cold-shock protein E fromSalmonella typhimurium

Crystallographic and mass spectrometric characterisation of eIF4E with N7-alkylated cap derivatives

Design, synthesis and trypanocidal activity of lead compounds based on inhibitors of parasite glycolysis

Expression, purification, crystallization and preliminary crystallographic analysis of Leishmania mexicana phosphoglycerate mutase

Half-sandwich arene ruthenium(II)-enzyme complex

Identification of ML251, a Potent Inhibitor of T. brucei and T. cruzi Phosphofructokinase

MeCP2 binding to DNA depends upon hydration at methyl-CpG

Phosphoglycerate mutase from Trypanosoma brucei is hyperactivated by cobalt in vitro, but not in vivo

Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders.

Pyrazolo[4,3-d]pyrimidine bioisostere of roscovitine: evaluation of a novel selective inhibitor of cyclin-dependent kinases with antiproliferative activity

Pyruvate kinases have an intrinsic and conserved decarboxylase activity

Redox regulation of pyruvate kinase M2 by cysteine oxidation and S-nitrosation

Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity

Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.

Structures of pyruvate kinases display evolutionarily divergent allosteric strategies

The Trypanocidal Drug Suramin and Other Trypan Blue Mimetics Are Inhibitors of Pyruvate Kinases and Bind to the Adenosine Site

The crystal structure of ATP-bound phosphofructokinase from Trypanosoma brucei reveals conformational transitions different from those of other phosphofructokinases

The first crystal structure of phosphofructokinase from a eukaryote: Trypanosoma brucei

The kinetic characteristics of human and trypanosomatid phosphofructokinases for the reverse reaction

Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using Biacore™ T200.

`In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase