Proteins are molecular machines whose function depends on their ability to achieve
complex folds with precisely defined structural and dynamic properties. The rational design …

Natural metalloproteins perform many functions—ranging from sensing to electron transfer
and catalysis—in which the position and property of each ligand and metal are dictated by …

Protein design is a valuable tool for understanding the fundamental factors that dictate
protein structure and function. The field of protein design has seen significant progress over …

One of the hallmark advances in our understanding of metalloprotein function is showcased
in our ability to design new, non-native, catalytically active protein scaffolds. This review …

The de novo design of proteins that bind highly functionalized small molecules represents a
great challenge. To enable computational design of binders, we developed a unit of protein …

Conspectus De novo protein design represents an attractive approach for testing and
extending our understanding of metalloprotein structure and function. Here, we describe our …

Many efforts are being made in the design and engineering of metalloenzymes with catalytic
properties fulfilling the needs of practical applications. Progress in this field has recently …

Protein catalysis requires the atomic-level orchestration of side chains, substrates and
cofactors, and yet the ability to design a small-molecule-binding protein entirely from first …

Here we report the de novo design and NMR structure of a four-helical bundle di-iron protein
with phenol oxidase activity. The introduction of the cofactor-binding and phenol-binding …

Metalloenzymes efficiently catalyze some of the most important and difficult reactions in
nature. For many years, coordination chemists have effectively used small molecule models …