Publications (4)48.11 Total impact
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Article: Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1.
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ABSTRACT: An explicit solvent ligand-mapping approach was used to reveal an otherwise hidden hydrophobic pocket in polo-like kinase 1 (Plk1). It predicted a novel ligand binding mode that was used for the design of a new ligand with high affinity for Plk1. X-ray crystallography confirmed that the binding was specific to the intended pocket.Angewandte Chemie International Edition 09/2012; 51(40):10078-81. · 13.45 Impact Factor -
Article: Rv2607 from Mycobacterium tuberculosis is a pyridoxine 5'-phosphate oxidase with unusual substrate specificity.
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ABSTRACT: Despite intensive effort, the majority of the annotated Mycobacterium tuberculosis genome consists of genes encoding proteins of unknown or poorly understood function. For example, there are seven conserved hypothetical proteins annotated as homologs of pyridoxine 5'-phosphate oxidase (PNPOx), an enzyme that oxidizes pyridoxine 5'-phosphate (PNP) or pyridoxamine 5'-phosphate (PMP) to form pyridoxal 5'-phosphate (PLP). We have characterized the function of Rv2607 from Mycobacterium tuberculosis H37Rv and shown that it encodes a PNPOx that oxidizes PNP to PLP. The k(cat) and K(M) for this reaction were 0.01 s(-1) and 360 µM, respectively. Unlike many PNPOx enzymes, Rv2607 does not recognize PMP as a substrate.PLoS ONE 01/2011; 6(11):e27643. · 4.09 Impact Factor -
Article: An experimental charge density of HEPES.
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ABSTRACT: We report the experimental charge density of HEPES [4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid], which is a common buffering agent. The structure was refined using the Hansen-Coppens formalism. The ability of the HEPES molecule to form stable intermolecular interactions and intermolecular hydrogen bonds in the crystal structure is discussed in terms of its buffering properties. The protonation mode observed in the crystal structure is different from that expected in solution, suggesting that additional factors must be taken into consideration in order to explain the solution properties of the compound. As ordered HEPES molecules are found in the active sites of proteins in several protein crystal structures, our results will allow for quantitative analysis of the electrostatic potential of the interacting surfaces of those proteins.Acta crystallographica. Section B, Structural science 08/2010; 66(Pt 4):482-92. · 1.80 Impact Factor -
Article: Olefin metathesis in ionic liquids.
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ABSTRACT: This tutorial review covers the use of ionic liquids as (co)solvents for the olefin metathesis reaction. Olefin metathesis is a simple and effective synthetic tool used to create many compounds which otherwise would require complex multistep syntheses. It is expected that the application of ionic liquids (IL) as well as the development of IL-enabled catalysts and separation techniques will create a green aspect to this important methodology.Chemical Society Reviews 12/2008; 37(11):2433-42. · 28.76 Impact Factor
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Institutions
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2008–2010
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University of Warsaw
- Faculty of Chemistry
Warsaw, Masovian Voivodeship, Poland
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