De novo Design of a Vanadium Haloperoxidase

Oxyfunctionalization of Primary Benzylic C(sp3)–H Bonds with Water by a Molybdenum-Dependent Dehydrogenase

The selective oxyfunctionalization of C(sp3)–H bonds remains a central challenge in chemical synthesis. Although oxygenases and peroxygenases provide biocatalytic alternatives to metal-based chemical methods, their practical use is constrained by costly cofactor regeneration, toxic co-substrates, or limited selectivi...

Structural insights into sulfonamide degradation by a two-component flavin-dependent monooxygenase.

These findings establish the structural basis of sulX-mediated sulfonamide degradation and provide a foundation for understanding sulfonamide resistance mechanisms.

A Substrate-Permissive Vanadium Haloperoxidase in Type II Polyketide Biosynthesis Unlocks Non-Native Halogenation across Diverse Substrate Scaffolds.

Halogenated compounds are prevalent in natural and synthetic molecules, profoundly affecting molecular stability, physicochemical properties, and biological activity. While enzymatic halogenation offers a sustainable and selective synthetic route, its broad application is limited by the narrow substrate scope of the kn...

De novo design of metalloenzymes using Metal Mer

A Catalytic Pocket Hidden in Plain Sight: A Metal-Free Platform for Fluorinated Compounds

A defining challenge in catalyst design is the development of simple molecular platforms capable of organizing complex reactivity through cooperative interactions. Herein, we apply this concept to the synthesis of O-difluoroalkylhydroxylamine (FON) derivatives, an emerging class of fluorinated compounds that combines a...

Diaminotriazinyl-Functionalized Oligopyridine Mimics: From Crystal Engineering to DNA and Enzyme Docking

The design of molecular tectoligands capable of combining coordination and supramolecular recognition properties is of considerable interest for crystal engineering. Herein, we report the synthesis of four new diaminotriazinyl-functionalized oligopyridine mimics, Py2DAT, PyDAT2, m-qtpy, and m-qpy, obtained in excelle...