Transketolase is an enzyme involved in a critical step of the non-oxidative branch of the pentose phosphate pathway whose inhibition could lead to new anticancer drugs. Here, we report new human transketolase inhibitors, based on the phenyl urea scaffold, found by applying structure-based virtual screening. These inhibitors are designed to cover a hot spot in the dimerization interface of the h...

The crystal structure of a novel aluminium fluoride inhibited form of bovine mitochondrial F(1)-ATPase has been determined at 2 A resolution. In contrast to all previously determined structures of the bovine enzyme, all three catalytic sites are occupied by nucleotide. The subunit that did not bind nucleotide in previous structures binds ADP and sulfate (mimicking phosphate), and adopts a "half...

SET domain lysine methyltransferases are known to catalyze site and state-specific methylation of lysine residues in histones that is fundamental in epigenetic regulation of gene activation and silencing in eukaryotic organisms. Here we report the three-dimensional solution structure of the SET domain histone lysine methyltransferase (vSET) from Paramecium bursaria chlorella virus 1 bound to co...

For some time, the presence of high oxidation state Mn ions and Ca(II) in active center Photosystem II has been known. However, coordination complexes that combine both Mn(III) have difficult to obtain, with only a handful examples reported. In this paper we report synthesis two new Mn(III)-Ca(II) complexes, 1 [Pr2NH2]3[Mn6CaO2(OH)(OMe)3(SALO)6 (SALOH)3] 2 [Mn18Ca6O12(OH)6(MeO)12(PhCOO)18(MeOH)...

Living organisms compartmentalize their catalytic reactions in membranes for increased efficiency and selectivity. To mimic the organelles of eukaryotic cells, we develop a mild approach situ encapsulating enzymes aqueous-core silica nanocapsules. In order to confine sol-gel reaction at water/oil interface miniemulsion, introduce an aminosilane precursors, which serves as both catalyst amphiphi...

Iron oxide nanozymes are a form of nanomaterial with both superparamagnetic and enzyme-mimicking properties. Ongoing research efforts have been made to create multifunctional iron hybrid auxiliary properties through biomolecular modifications. Such can be useful for rapid cost-effective analysis circulating tumor nucleic acids (ctNAs) in patient liquid biopsies during minimal residual disease (...

The capability of DNA to acquire enzyme-like properties has led to the emergence of the so-called DNAzyme field; herein, we take a further leap along this nature-inspired road, demonstrating that a template assembled synthetic G-quartet (TASQ) can act as a pre-catalyst for catalytic peroxidase-mimicking oxidation reactions, whatever its nature (guanine or guanosine-based G-quartets), in an ATP-...

A new Sense-and-Act system was realized by the integration of a biocomputing system, performing analytical processes, with a signal-responsive electrode. A drug-mimicking release process was triggered by biomolecular signals processed by different logic networks, including three concatenated AND logic gates or a 3-input OR logic gate. Biocatalytically produced NADH, controlled by various combin...