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We demonstrated that β-(1-azulenyl)-L-alanine, a fluorescent pseudoisosteric analog of tryptophan, exhibits weak environmental dependence and thus allows for using weak intrinsic quenchers, such as methionines, to monitor protein-protein interactions while not perturbing them.
Despite the progress in creating novel catalysts for nonnatural reactions and reengineering existing enzymes to adopt new properties, the problem of creating a catalyst for a particular chemical transformation is far from solved. Current successful approaches to develop enzymes for nonnatural reactions combine sophisticated computational algorithms with(More)
Enzymes fold into unique three-dimensional structures, which underlie their remarkable catalytic properties. The requirement to adopt a stable, folded conformation is likely to contribute to their relatively large size (>10,000 Da). However, much shorter peptides can achieve well-defined conformations through the formation of amyloid fibrils. To test(More)
Toll-like receptors (TLRs) act as the first line of defense against bacterial and viral pathogens by initiating critical defense signals upon dimer activation. The contribution of the transmembrane domain in the dimerization and signaling process has heretofore been overlooked in favor of the extracellular and intracellular domains. As mounting evidence(More)
We recently reported that a computationally designed catalyst nicknamed AlleyCat facilitates C–H proton abstraction in Kemp elimination at neutral pH in a selective and calcium-dependent fashion by a factor of approximately 100,000 (Korendovych et al. in Proc. Natl. Acad. Sci. USA 108:6823, 2011). Kemp elimination produced a colored product that can be(More)
A simple and cost-effective one-pot parallel synthesis approach to sulfides, sulfoxides, and sulfones from thiourea was elaborated. The method combines two procedures optimized to the parallel synthesis conditions: alkylation of thiourea with alkyl chlorides and mono or full oxidation of in situ generated sulfides with H2O2 or H2O2-(NH4)2MoO4. The(More)
β-(1-Azulenyl)-L-alanine (AzAla) can be incorporated into the influenza A virus M2 proton channel. AzAla's sensitivity to the protonation state of the nearby histidines and the lack of environmental fluorescence dependence allow for direct and straightforward determination of histidine pKa values in ion channels.
Water is an integral part of the homotetrameric M2 proton channel of the influenza A virus, which not only assists proton conduction but could also play an important role in stabilizing channel-blocking drugs. Herein, we employ two dimensional infrared (2D IR) spectroscopy and site-specific IR probes, i.e., the amide I bands arising from isotopically(More)
In the title compound, C(9)H(10)N(4)O(2), the pyridine ring is twisted by 16.5 (1)° from the mean plane defined by the remaining non-H atoms. An intra-molecular N-H⋯N inter-action is present. In the crystal, inter-molecular O-H⋯N and N-H⋯O hydrogen bonds link mol-ecules into layers parallel to the bc plane. The crystal packing exhibits π-π inter-actions(More)
A dodecanuclear 3 × [2 × 2] nickel(II) complex has been obtained via the self-association of three tetranuclear [2 × 2] molecular grids. X-ray diffraction shows a "propeller-like" structure of the [Ni(4)](3) scaffold with a central μ(3)-hydroxide. The dodecanuclear species remains stable in solution and can be deposited without decomposition on highly(More)