Published in J Am Chem Soc on February 02, 2005
Advances in quantum and molecular mechanical (QM/MM) simulations for organic and enzymatic reactions. Acc Chem Res (2010) 1.67
Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole. J Am Chem Soc (2008) 1.41
Structural origins of efficient proton abstraction from carbon by a catalytic antibody. Proc Natl Acad Sci U S A (2005) 1.21
An aspartate and a water molecule mediate efficient acid-base catalysis in a tailored antibody pocket. Proc Natl Acad Sci U S A (2009) 0.98
Use of anion-aromatic interactions to position the general base in the ketosteroid isomerase active site. Proc Natl Acad Sci U S A (2013) 0.94
Evaluation of the energetics of the concerted acid-base mechanism in enzymatic catalysis: the case of ketosteroid isomerase. J Phys Chem B (2011) 0.90
Origin of the activity drop with the E50D variant of catalytic antibody 34E4 for Kemp elimination. J Phys Chem B (2009) 0.86
Conformational isomerism can limit antibody catalysis. J Biol Chem (2008) 0.81
SABER: a computational method for identifying active sites for new reactions. Protein Sci (2012) 0.81
Quantum and Molecular Mechanical (QM/MM) Monte Carlo Techniques for Modeling Condensed-Phase Reactions. Wiley Interdiscip Rev Comput Mol Sci (2014) 0.79
Computational strategies for the design of new enzymatic functions. Arch Biochem Biophys (2015) 0.78
De novo computational design of retro-aldol enzymes. Science (2008) 7.62
Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction. Science (2010) 4.32
Protein design by directed evolution. Annu Rev Biophys (2008) 2.15
Minimalist active-site redesign: teaching old enzymes new tricks. Angew Chem Int Ed Engl (2007) 1.67
Iterative approach to computational enzyme design. Proc Natl Acad Sci U S A (2012) 1.60
Directed evolution of a protein container. Science (2011) 1.60
The putative Diels-Alderase macrophomate synthase is an efficient aldolase. J Am Chem Soc (2008) 1.50
Reprogramming nonribosomal peptide synthetases for "clickable" amino acids. Angew Chem Int Ed Engl (2014) 1.45
On the relationship between folding and chemical landscapes in enzyme catalysis. Proc Natl Acad Sci U S A (2008) 1.44
Precision is essential for efficient catalysis in an evolved Kemp eliminase. Nature (2013) 1.28
Investigating and Engineering Enzymes by Genetic Selection. Angew Chem Int Ed Engl (2001) 1.25
Structural reorganization and preorganization in enzyme active sites: comparisons of experimental and theoretically ideal active site geometries in the multistep serine esterase reaction cycle. J Am Chem Soc (2008) 1.25
An enzymatic molten globule: efficient coupling of folding and catalysis. Proc Natl Acad Sci U S A (2004) 1.24
Structure and dynamics of a molten globular enzyme. Nat Struct Mol Biol (2007) 1.22
Selective stabilization of the chorismate mutase transition state by a positively charged hydrogen bond donor. J Am Chem Soc (2003) 1.21
Structural origins of efficient proton abstraction from carbon by a catalytic antibody. Proc Natl Acad Sci U S A (2005) 1.21
Nonspecific medium effects versus specific group positioning in the antibody and albumin catalysis of the base-promoted ring-opening reactions of benzisoxazoles. J Am Chem Soc (2004) 1.15
Selenoglutathione: efficient oxidative protein folding by a diselenide. Biochemistry (2007) 1.14
Characterization of the secreted chorismate mutase from the pathogen Mycobacterium tuberculosis. FEBS J (2005) 1.14
Relative tolerance of mesostable and thermostable protein homologs to extensive mutation. Proteins (2007) 1.13
An active enzyme constructed from a 9-amino acid alphabet. J Biol Chem (2005) 1.12
Robust design and optimization of retroaldol enzymes. Protein Sci (2012) 1.09
A rationally designed aldolase foldamer. Angew Chem Int Ed Engl (2009) 1.08
Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J Am Chem Soc (2012) 1.08
Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat Chem Biol (2013) 1.07
Isochorismate pyruvate lyase: a pericyclic reaction mechanism? J Am Chem Soc (2005) 1.06
An artificial metalloenzyme for olefin metathesis. Chem Commun (Camb) (2011) 1.04
Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J Mol Biol (2011) 1.04
Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc Natl Acad Sci U S A (2009) 1.01
Chemoenzymatic synthesis of differentially protected 3-deoxysugars. Nat Chem (2010) 1.00
Efficient in vitro encapsulation of protein cargo by an engineered protein container. J Am Chem Soc (2012) 0.99
De novo enzymes by computational design. Curr Opin Chem Biol (2013) 0.99
A simple tagging system for protein encapsulation. J Am Chem Soc (2006) 0.98
Biocatalysts by evolution. Curr Opin Biotechnol (2010) 0.98
Investigation of ligand binding and protein dynamics in Bacillus subtilis chorismate mutase by transverse relaxation optimized spectroscopy-nuclear magnetic resonance. Biochemistry (2005) 0.98
Conversion of a PLP-dependent racemase into an aldolase by a single active site mutation. J Am Chem Soc (2003) 0.98
A monofunctional and thermostable prephenate dehydratase from the archaeon Methanocaldococcus jannaschii. Biochemistry (2006) 0.98
An aspartate and a water molecule mediate efficient acid-base catalysis in a tailored antibody pocket. Proc Natl Acad Sci U S A (2009) 0.98
Mechanistic insights into the isochorismate pyruvate lyase activity of the catalytically promiscuous PchB from combinatorial mutagenesis and selection. J Biol Chem (2005) 0.97
A simple selection strategy for evolving highly efficient enzymes. Nat Biotechnol (2007) 0.95
Metabolic engineering of a genetic selection system with tunable stringency. Proc Natl Acad Sci U S A (2007) 0.95
Protein conformational disorder and enzyme catalysis. Top Curr Chem (2013) 0.94
Novel enzymes through design and evolution. Adv Enzymol Relat Areas Mol Biol (2007) 0.93
Selenoglutaredoxin as a glutathione peroxidase mimic. Chembiochem (2008) 0.93
Catalysis of oxidative protein folding by small-molecule diselenides. Biochemistry (2008) 0.93
Strategic use of non-native diselenide bridges to steer oxidative protein folding. Angew Chem Int Ed Engl (2012) 0.92
Isotope effects on the enzymatic and nonenzymatic reactions of chorismate. J Am Chem Soc (2005) 0.92
An Antibody-Catalyzed Allylic Sulfoxide-Sulfenate Rearrangement. J Org Chem (1999) 0.92
Consensus protein design without phylogenetic bias. J Mol Biol (2010) 0.91
A photoinducible beta-hairpin. J Am Chem Soc (2005) 0.91
Experimental and computational investigation of the uncatalyzed rearrangement and elimination reactions of isochorismate. J Am Chem Soc (2006) 0.90
Chemoenzymatic Synthesis of Isotopically Labeled Chorismic Acids. J Org Chem (1999) 0.88
Relative tolerance of an enzymatic molten globule and its thermostable counterpart to point mutation. Biochemistry (2008) 0.87
Diselenides as universal oxidative folding catalysts of diverse proteins. J Biotechnol (2010) 0.86
13C isotope effect on the reaction catalyzed by prephenate dehydratase. Biochim Biophys Acta (2009) 0.85
Building proficient enzymes with foldamer prostheses. Angew Chem Int Ed Engl (2014) 0.85
Trapping and structural elucidation of an intermediate in the macrophomate synthase reaction pathway. J Am Chem Soc (2007) 0.85
Kinetics and thermodynamics of ligand binding to a molten globular enzyme and its native counterpart. J Mol Biol (2008) 0.84
Toward bifunctional antibody catalysis. Bioorg Med Chem (2006) 0.84
Fmoc-Compatible Solid-Phase Peptide Synthesis of Long C-Terminal Peptide Thioesters The authors are grateful to the ETH-Zürich and Novartis Pharma AG for support of this work. Fmoc=9-fluorenylmethoxycarbonyl. Angew Chem Int Ed Engl (2001) 0.84
Charge optimization increases the potency and selectivity of a chorismate mutase inhibitor. J Am Chem Soc (2003) 0.84
Quantitative evaluation of noncovalent chorismate mutase-inhibitor binding by ESI-MS. J Am Soc Mass Spectrom (2003) 0.83
Small-molecule diselenides catalyze oxidative protein folding in vivo. ACS Chem Biol (2010) 0.83
Selenocysteine-mediated backbone cyclization of unprotected peptides followed by alkylation, oxidative elimination or reduction of the selenol. Chem Commun (Camb) (2002) 0.81
Stereoselectivity and expanded substrate scope of an engineered PLP-dependent aldolase. Angew Chem Int Ed Engl (2006) 0.81
Bifunctional catalysis of proton transfer at an antibody active site. J Am Chem Soc (2007) 0.81
Direct NMR observation and DFT calculations of a hydrogen bond at the active site of a 44 kDa enzyme. J Biomol NMR (2002) 0.81
Conformational isomerism can limit antibody catalysis. J Biol Chem (2008) 0.81
Enhancing activity and controlling stereoselectivity in a designed PLP-dependent aldolase. Angew Chem Int Ed Engl (2007) 0.81
Switching antibody specificity through minimal mutation. J Mol Biol (2008) 0.80
Deciphering enzymes. Genetic selection as a probe of structure and mechanism. Eur J Biochem (2004) 0.80
Both the cis-trans equilibrium and isomerization dynamics of a single proline amide modulate β2-microglobulin amyloid assembly. Proc Natl Acad Sci U S A (2013) 0.80
Immunological optimization of a generic hydrophobic pocket for high affinity hapten binding and Diels-Alder activity. Chembiochem (2004) 0.80
Directed evolution of a model primordial enzyme provides insights into the development of the genetic code. PLoS Genet (2013) 0.79
Construction of Matryoshka-type structures from supercharged protein nanocages. Angew Chem Int Ed Engl (2014) 0.79
An N-terminal protein degradation tag enables robust selection of highly active enzymes. Biochemistry (2011) 0.79
Design, selection, and characterization of a split chorismate mutase. Protein Sci (2010) 0.79
Modulating PNA/DNA hybridization by light. Angew Chem Int Ed Engl (2010) 0.78
Investigation of the enzymatic and nonenzymatic cope rearrangement of carbaprephenate to carbachorismate. J Org Chem (2002) 0.78
Catalysis on the coastline: theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole. J Comput Chem (2003) 0.78
Kinetic characterization of spiropyrans in aqueous media. Chem Commun (Camb) (2008) 0.78
A Promiscuous De Novo Retro-Aldolase Catalyzes Asymmetric Michael Additions via Schiff Base Intermediates. Angew Chem Int Ed Engl (2015) 0.78
Incorporation of selenomethionine into proteins through selenohomocysteine-mediated ligation. Angew Chem Int Ed Engl (2003) 0.78
Convergent protein synthesis. Curr Opin Struct Biol (2003) 0.78
Synthesis and application of an azobenzene amino acid as a light-switchable turn element in polypeptides. Nat Protoc (2007) 0.77
New enzymes from combinatorial library modules. Methods Enzymol (2004) 0.77
Active site mutagenesis of the putative Diels-Alderase macrophomate synthase. Chem Commun (Camb) (2007) 0.77
Simultaneous optimization of enzyme activity and quaternary structure by directed evolution. Protein Sci (2005) 0.77
Substitution of proline32 by α-methylproline preorganizes β2-microglobulin for oligomerization but not for aggregation into amyloids. J Am Chem Soc (2015) 0.77
Closely related antibody receptors exploit fundamentally different strategies for steroid recognition. Proc Natl Acad Sci U S A (2008) 0.77
Tunnel plasticity and quaternary structural integrity of a pentameric protein ring. Protein Sci (2006) 0.77
Use of molecular dynamics in the design and structure determination of a photoinducible beta-hairpin. J Am Chem Soc (2005) 0.76
Synthesis of beta-hydroxy-alpha-amino acids with a reengineered alanine racemase. Bioorg Med Chem Lett (2008) 0.76
Tailor-made peptide synthetases. Chem Biol (2011) 0.75
A photoswitchable miniprotein based on the sequence of avian pancreatic polypeptide. Angew Chem Int Ed Engl (2006) 0.75
Photolyase-like repair of psoralen-crosslinked nucleic acids. Angew Chem Int Ed Engl (2011) 0.75
An antibody that reconstitutes the "base-on" form of B(12) coenzymes. Angew Chem Int Ed Engl (2002) 0.75
De novo chemoenzymatic synthesis of sialic acid. Chem Commun (Camb) (2012) 0.75
Probing ligand recognition in the decarboxylase antibody 21D8: implications for the catalytic mechanism. Biochemistry (2002) 0.75
Optimization of Enzyme Mechanism along the Evolutionary Trajectory of a Computationally Designed (Retro-)Aldolase. J Am Chem Soc (2017) 0.75