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 …

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 …

In recent years, significant progress has been made in understanding the geometric and
electronic structures of the active sites of non-heme iron enzymes and the contributions of …

Salt bridges occur frequently in proteins, providing conformational specificity and
contributing to molecular recognition and catalysis. We present a comprehensive analysis of …

The design of functional membrane proteins from first principles represents a grand
challenge in chemistry and structural biology. Here, we report the design of a membrane …

Metalloproteins perform a variety of functions in biological systems. The catalysis of several
remarkable chemical transformations occurs at metal centers embedded in the active sites of …

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

Because the space of folded protein structures is highly degenerate, with recurring
secondary and tertiary motifs, methods for representing protein structure in terms of …

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 …