Computational design and elaboration of a de novo heterotetrameric alpha-helical protein that selectively binds an emissive abiological (porphinato)zinc chromophore.

PubWeight™: 0.99‹?› | Rank: Top 15%

🔗 View Article (PMC 2856663)

Published in J Am Chem Soc on March 24, 2010

Authors

H Christopher Fry1, Andreas Lehmann, Jeffery G Saven, William F DeGrado, Michael J Therien

Author Affiliations

1: Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, USA.

Articles citing this

Synthetic biology for the directed evolution of protein biocatalysts: navigating sequence space intelligently. Chem Soc Rev (2015) 1.74

Protein design: toward functional metalloenzymes. Chem Rev (2014) 1.17

Biochemistry and theory of proton-coupled electron transfer. Chem Rev (2014) 1.17

Elementary tetrahelical protein design for diverse oxidoreductase functions. Nat Chem Biol (2013) 1.02

Computational design of membrane proteins. Structure (2012) 0.95

Computational protein design: engineering molecular diversity, nonnatural enzymes, nonbiological cofactor complexes, and membrane proteins. Curr Opin Chem Biol (2011) 0.85

Computational design of protein-ligand interfaces: potential in therapeutic development. Trends Biotechnol (2011) 0.85

Manipulating Reduction Potentials in an Artificial Safranin Cofactor. Tetrahedron Lett (2011) 0.85

Engineering a zinc binding site into the de novo designed protein DS119 with a βαβ structure. Protein Cell (2012) 0.83

MAPs: a database of modular antibody parts for predicting tertiary structures and designing affinity matured antibodies. BMC Bioinformatics (2013) 0.83

Computational de novo design and characterization of a protein that selectively binds a highly hyperpolarizable abiological chromophore. J Am Chem Soc (2013) 0.82

Proteins from an unevolved library of de novo designed sequences bind a range of small molecules. ACS Synth Biol (2012) 0.82

Strategies to control the binding mode of de novo designed protein interactions. Curr Opin Struct Biol (2013) 0.79

Fundamental limits on wavelength, efficiency and yield of the charge separation triad. PLoS One (2012) 0.77

First principles design of a core bioenergetic transmembrane electron-transfer protein. Biochim Biophys Acta (2015) 0.77

Photoinduced Electron Transfer Elicits a Change in the Static Dielectric Constant of a de Novo Designed Protein. J Am Chem Soc (2016) 0.75

De novo design of a hyperstable non-natural protein-ligand complex with sub-Å accuracy. Nat Chem (2017) 0.75

Articles cited by this

Design of a novel globular protein fold with atomic-level accuracy. Science (2003) 13.06

De novo protein design: fully automated sequence selection. Science (1997) 7.86

Cyanobacterial photosystem II at 2.9-A resolution and the role of quinones, lipids, channels and chloride. Nat Struct Mol Biol (2009) 4.29

Computational redesign of protein-protein interaction specificity. Nat Struct Mol Biol (2004) 3.66

The design of coiled-coil structures and assemblies. Adv Protein Chem (2005) 2.87

De novo design of catalytic proteins. Proc Natl Acad Sci U S A (2004) 2.81

Near-infrared-emissive polymersomes: self-assembled soft matter for in vivo optical imaging. Proc Natl Acad Sci U S A (2005) 2.10

Heme protein assemblies. Chem Rev (2004) 1.74

Computational de novo design, and characterization of an A(2)B(2) diiron protein. J Mol Biol (2002) 1.71

Computational design and characterization of a monomeric helical dinuclear metalloprotein. J Mol Biol (2003) 1.60

Metallocytochromes c: characterization of electronic absorption and emission spectra of Sn4+ and Zn2+ cytochromes c. Eur J Biochem (1976) 1.53

Computational de novo design and characterization of a four-helix bundle protein that selectively binds a nonbiological cofactor. J Am Chem Soc (2005) 1.52

Probing electronic communication in covalently linked multiporphyrin arrays. A guide to the rational design of molecular photonic devices. Acc Chem Res (2002) 1.50

Statistical theory for protein combinatorial libraries. Packing interactions, backbone flexibility, and the sequence variability of a main-chain structure. J Mol Biol (2001) 1.42

Differential influence of dynamic processes on forward and reverse electron transfer across a protein-protein interface. Proc Natl Acad Sci U S A (2005) 1.35

Enzyme-like proteins from an unselected library of designed amino acid sequences. Protein Eng Des Sel (2004) 1.31

Excited-state dynamics in photosystem II: insights from the x-ray crystal structure. Proc Natl Acad Sci U S A (2001) 1.31

How photosynthetic bacteria harvest solar energy. J Bacteriol (1999) 1.31

Exceptional near-infrared fluorescence quantum yields and excited-state absorptivity of highly conjugated porphyrin arrays. J Am Chem Soc (2006) 1.29

De novo design of a single-chain diphenylporphyrin metalloprotein. J Am Chem Soc (2007) 1.28

De novo design of a redox-active minimal rubredoxin mimic. J Am Chem Soc (2005) 1.16

Directing noble metal ion chemistry within a designed ferritin protein. Biochemistry (2008) 1.12

Design of a heterospecific, tetrameric, 21-residue miniprotein with mixed alpha/beta structure. Structure (2005) 1.11

Design, synthesis, and characterization of a photoactivatable flavocytochrome molecular maquette. Proc Natl Acad Sci U S A (1998) 1.11

Reactions of excited triplet states of metal substituted myoglobin with dioxygen and quinone. Biophys J (1990) 1.08

Intelligent design: the de novo engineering of proteins with specified functions. Dalton Trans (2006) 1.08

Noncovalent self-assembly of a heterotetrameric diiron protein. Proc Natl Acad Sci U S A (2002) 1.08

Using alpha-helical coiled-coils to design nanostructured metalloporphyrin arrays. J Am Chem Soc (2008) 1.02

Computational protein design: structure, function and combinatorial diversity. Curr Opin Chem Biol (2007) 1.01

Advances in computational protein design. Curr Opin Struct Biol (2004) 0.99

Theoretical analysis of the porphyrin-porphyrin exciton interaction in circular dichroism spectra of dimeric tetraarylporphyrins. J Am Chem Soc (2003) 0.94

De novo designed cyclic-peptide heme complexes. Proc Natl Acad Sci U S A (2003) 0.94

De novo design of a D2-symmetrical protein that reproduces the diheme four-helix bundle in cytochrome bc1. J Am Chem Soc (2004) 0.93

Incorporation of designed extended chromophores into amphiphilic 4-helix bundle peptides for nonlinear optical biomolecular materials. Nano Lett (2006) 0.92

Characterization of zinc-substituted cytochrome c by circular dichroism and resonance Raman spectroscopic methods. J Inorg Biochem (1997) 0.91

Unusual frequency dispersion effects of the nonlinear optical response in highly conjugated (polypyridyl)metal-(porphinato)zinc(II) chromophores. J Am Chem Soc (2002) 0.91

Amphiphilic four-helix bundle peptides designed for light-induced electron transfer across a soft interface. Nano Lett (2005) 0.91

Potentiometric, electronic structural, and ground- and excited-state optical properties of conjugated bis[(porphinato)zinc(II)] compounds featuring proquinoidal spacer units. J Am Chem Soc (2005) 0.91

Synthetic routes to multiporphyrin arrays. Chem Rev (2001) 0.90

Design of functional ferritin-like proteins with hydrophobic cavities. J Am Chem Soc (2006) 0.90

Synthesis, electronic structure, and electron transfer dynamics of (Aryl)ethynyl-bridged donor-acceptor systems. J Am Chem Soc (2003) 0.89

Highly conjugated (polypyridyl)metal-(porphinato)zinc(II) compounds: long-lived, high oscillator strength, excited-state absorbers having exceptional spectral coverage of the near-infrared. J Am Chem Soc (2004) 0.88

The crystal structure and molecular stereochemistry of alpha, beta, gamma, delta-tetra(4-pyridyl)porphinatomonopyridinezinc(II). An appraisal of bond strain in the porphine skeleton. J Am Chem Soc (1970) 0.88

Comparison of cysteine and penicillamine ligands in a Co(II) maquette. Inorg Chem (2004) 0.87

Characterization of a membrane protein folding motif, the Ser zipper, using designed peptides. J Mol Biol (2006) 0.86

Structural studies of amphiphilic 4-helix bundle peptides incorporating designed extended chromophores for nonlinear optical biomolecular materials. Nano Lett (2006) 0.86

A fluorescence study of hybrid hemoglobins containing free base and zinc protoporphyrin IX. Biochemistry (1974) 0.86

Metal-assembled modular proteins: toward functional protein design. Acc Chem Res (2004) 0.86

Properties and reactivity of myoglobin reconstituted with chemically modified protohemin complexes. Biochemistry (2000) 0.84

Design of a five-coordinate heme protein maquette: a spectroscopic model of deoxymyoglobin. Inorg Chem (2004) 0.83

Strongly coupled porphyrin arrays featuring both pi-cofacial and linear-pi-conjugative interactions. Inorg Chem (2002) 0.79

Novel ligand binding properties of the myoglobin substituted with monoazahemin. J Biol Chem (1995) 0.79

Functional evaluation of iron oxypyriporphyrin in protein heme pocket. Inorg Chem (2008) 0.78

Zinc-porphyrin Solvation in folded and unfolded states of Zn-cytochrome c. Inorg Chem (2004) 0.78

Design of a heterotetrameric coiled coil. Protein Sci (2009) 0.77

Multipeptide-metalloporphyrin assembly on a dendrimer template and photoinduced electron transfer based on the dendrimer structure. Chemistry (2001) 0.77

Kinetic studies on CO binding to reconstituted myoglobins with four synthetic hemes; structural control in ligand binding to myoglobin. Biochim Biophys Acta (1992) 0.76

Turn and helical peptide spacers: combined distance and angular dependencies in the exciton-coupled circular dichroism of intramolecularly interacting bis-porphyrins. Biopolymers (2006) 0.76

Iron hemiporphycene as a functional prosthetic group for myoglobin. Inorg Chem (2003) 0.76

Articles by these authors

Structural basis for the function and inhibition of an influenza virus proton channel. Nature (2008) 5.69

Folding of helical membrane proteins: the role of polar, GxxxG-like and proline motifs. Curr Opin Struct Biol (2004) 3.42

Activation of integrin alphaIIbbeta3 by modulation of transmembrane helix associations. Science (2003) 3.22

Foldamers as versatile frameworks for the design and evolution of function. Nat Chem Biol (2007) 2.79

Retracted Cardiopulmonary bypass priming using a high dose of a balanced hydroxyethyl starch versus an albumin-based priming strategy. Anesth Analg (2009) 2.58

Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus. Proc Natl Acad Sci U S A (2010) 2.43

Helix formation via conformation diffusion search. Proc Natl Acad Sci U S A (2002) 2.34

Identification of the functional core of the influenza A virus A/M2 proton-selective ion channel. Proc Natl Acad Sci U S A (2009) 2.32

Using nitrile-derivatized amino acids as infrared probes of local environment. J Am Chem Soc (2003) 2.30

Computational design of peptides that target transmembrane helices. Science (2007) 2.28

Perioperative use of levosimendan: best practice in operative settings. J Cardiothorac Vasc Anesth (2012) 2.15

Near-infrared-emissive polymersomes: self-assembled soft matter for in vivo optical imaging. Proc Natl Acad Sci U S A (2005) 2.10

De novo design of biomimetic antimicrobial polymers. Proc Natl Acad Sci U S A (2002) 1.95

Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus. Proc Natl Acad Sci U S A (2009) 1.93

Amphiphilic polymethacrylate derivatives as antimicrobial agents. J Am Chem Soc (2005) 1.84

A new clustering of antibody CDR loop conformations. J Mol Biol (2010) 1.83

Use of thiol-disulfide equilibria to measure the energetics of assembly of transmembrane helices in phospholipid bilayers. Proc Natl Acad Sci U S A (2003) 1.82

Protein-protein interactions in the membrane: sequence, structural, and biological motifs. Structure (2008) 1.75

Computational de novo design, and characterization of an A(2)B(2) diiron protein. J Mol Biol (2002) 1.71

Dimerization of the transmembrane domain of Integrin alphaIIb subunit in cell membranes. J Biol Chem (2004) 1.65

Determining the orientation of uniaxially rotating membrane proteins using unoriented samples: a 2H, 13C, AND 15N solid-state NMR investigation of the dynamics and orientation of a transmembrane helical bundle. J Am Chem Soc (2007) 1.63

The hydration of amides in helices; a comprehensive picture from molecular dynamics, IR, and NMR. Protein Sci (2003) 1.62

Computational design and characterization of a monomeric helical dinuclear metalloprotein. J Mol Biol (2003) 1.60

De novo design and in vivo activity of conformationally restrained antimicrobial arylamide foldamers. Proc Natl Acad Sci U S A (2009) 1.58

Retracted Influence of two different volume replacement regimens on renal function in elderly patients undergoing cardiac surgery: comparison of a new starch preparation with gelatin. Intensive Care Med (2003) 1.58

Ultrafast folding of alpha3D: a de novo designed three-helix bundle protein. Proc Natl Acad Sci U S A (2003) 1.57

Structural and dynamic mechanisms for the function and inhibition of the M2 proton channel from influenza A virus. Curr Opin Struct Biol (2011) 1.56

Computational de novo design and characterization of a four-helix bundle protein that selectively binds a nonbiological cofactor. J Am Chem Soc (2005) 1.52

Retracted Influence of volume therapy with a modern hydroxyethylstarch preparation on kidney function in cardiac surgery patients with compromised renal function: a comparison with human albumin. Crit Care Med (2007) 1.51

A new method for determining the local environment and orientation of individual side chains of membrane-binding peptides. J Am Chem Soc (2004) 1.51

pH-induced conformational change of the influenza M2 protein C-terminal domain. Biochemistry (2008) 1.48

Computational design of virus-like protein assemblies on carbon nanotube surfaces. Science (2011) 1.45

Discovery of potent small-molecule inhibitors of multidrug-resistant Plasmodium falciparum using a novel miniaturized high-throughput luciferase-based assay. Antimicrob Agents Chemother (2010) 1.42

Salt bridges: geometrically specific, designable interactions. Proteins (2011) 1.39

Sequence determinants of the energetics of folding of a transmembrane four-helix-bundle protein. Proc Natl Acad Sci U S A (2002) 1.39

The interplay of functional tuning, drug resistance, and thermodynamic stability in the evolution of the M2 proton channel from the influenza A virus. Structure (2008) 1.38

An artificial di-iron oxo-protein with phenol oxidase activity. Nat Chem Biol (2009) 1.37

Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2. J Am Chem Soc (2011) 1.37

Structural basis for proton conduction and inhibition by the influenza M2 protein. Protein Sci (2012) 1.36

Sequence determinants of a transmembrane proton channel: an inverse relationship between stability and function. J Mol Biol (2005) 1.35

Design of a switchable eliminase. Proc Natl Acad Sci U S A (2011) 1.34

Long-range interactions stabilize the fold of a non-natural oligomer. J Am Chem Soc (2002) 1.33

Consensus motif for integrin transmembrane helix association. Proc Natl Acad Sci U S A (2009) 1.33

Computational design of water-soluble analogues of the potassium channel KcsA. Proc Natl Acad Sci U S A (2004) 1.31

Specific binding of adamantane drugs and direction of their polar amines in the pore of the influenza M2 transmembrane domain in lipid bilayers and dodecylphosphocholine micelles determined by NMR spectroscopy. J Am Chem Soc (2011) 1.30

De novo designed synthetic mimics of antimicrobial peptides. Curr Opin Biotechnol (2008) 1.30

Exceptional near-infrared fluorescence quantum yields and excited-state absorptivity of highly conjugated porphyrin arrays. J Am Chem Soc (2006) 1.29

Tat-functionalized near-infrared emissive polymersomes for dendritic cell labeling. Bioconjug Chem (2007) 1.28

Discovery of spiro-piperidine inhibitors and their modulation of the dynamics of the M2 proton channel from influenza A virus. J Am Chem Soc (2009) 1.28

De novo design of a single-chain diphenylporphyrin metalloprotein. J Am Chem Soc (2007) 1.28

Tidal surge in the M2 proton channel, sensed by 2D IR spectroscopy. Proc Natl Acad Sci U S A (2011) 1.27

Theoretical and computational protein design. Annu Rev Phys Chem (2011) 1.26

Nontoxic membrane-active antimicrobial arylamide oligomers. Angew Chem Int Ed Engl (2004) 1.26

Bioresorbable Vesicles Formed through Spontaneous Self-Assembly of Amphiphilic Poly(ethylene oxide)-block-polycaprolactone. Macromolecules (2006) 1.26

Ultrafast folding of a computationally designed Trp-cage mutant: Trp2-cage. J Phys Chem B (2006) 1.26

Proton and cation transport activity of the M2 proton channel from influenza A virus. Proc Natl Acad Sci U S A (2010) 1.24

Computational design of a protein crystal. Proc Natl Acad Sci U S A (2012) 1.23

Evolutionary constraints on structural similarity in orthologs and paralogs. Protein Sci (2009) 1.23

Statistical and molecular dynamics studies of buried waters in globular proteins. Proteins (2005) 1.23

Site-specific hydration status of an amphipathic peptide in AOT reverse micelles. Langmuir (2007) 1.21

Computational protein design to reengineer stromal cell-derived factor-1α generates an effective and translatable angiogenic polypeptide analog. Circulation (2011) 1.20

Structural organization and interactions of transmembrane domains in tetraspanin proteins. BMC Struct Biol (2005) 1.19

Empirical lipid propensities of amino acid residues in multispan alpha helical membrane proteins. Proteins (2005) 1.19

Characterization of the monomeric form of the transmembrane and cytoplasmic domains of the integrin beta 3 subunit by NMR spectroscopy. Biochemistry (2002) 1.18

Development of α-helical calpain probes by mimicking a natural protein-protein interaction. J Am Chem Soc (2012) 1.18

Biochemistry and theory of proton-coupled electron transfer. Chem Rev (2014) 1.17

Amide vibrations are delocalized across the hydrophobic interface of a transmembrane helix dimer. Proc Natl Acad Sci U S A (2006) 1.17

Residue-specific vibrational echoes yield 3D structures of a transmembrane helix dimer. Science (2011) 1.17

Platelet factor 4 activity against P. falciparum and its translation to nonpeptidic mimics as antimalarials. Cell Host Microbe (2012) 1.16

NMR analysis of the alphaIIb beta3 cytoplasmic interaction suggests a mechanism for integrin regulation. Proc Natl Acad Sci U S A (2010) 1.16

De novo design of a redox-active minimal rubredoxin mimic. J Am Chem Soc (2005) 1.16

Functional analysis of the transmembrane domain in paramyxovirus F protein-mediated membrane fusion. J Mol Biol (2008) 1.16

Position-dependence of stabilizing polar interactions of asparagine in transmembrane helical bundles. Biochemistry (2003) 1.14

Energy and electron transfer in enhanced two-photon-absorbing systems with triplet cores. J Phys Chem A (2007) 1.14

Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion. Proc Natl Acad Sci U S A (2011) 1.14

Amino acid propensities are position-dependent throughout the length of alpha-helices. J Mol Biol (2004) 1.13

Small-molecule inhibitors of integrin alpha2beta1 that prevent pathological thrombus formation via an allosteric mechanism. Proc Natl Acad Sci U S A (2009) 1.13

Directing noble metal ion chemistry within a designed ferritin protein. Biochemistry (2008) 1.12

Artificial diiron proteins: from structure to function. Biopolymers (2005) 1.12

Capture and imaging of a prehairpin fusion intermediate of the paramyxovirus PIV5. Proc Natl Acad Sci U S A (2011) 1.12

Preorganization of molecular binding sites in designed diiron proteins. Proc Natl Acad Sci U S A (2003) 1.12

A focused antibody library for selecting scFvs expressed at high levels in the cytoplasm. BMC Biotechnol (2007) 1.12

De novo design and molecular assembly of a transmembrane diporphyrin-binding protein complex. J Am Chem Soc (2010) 1.11

Alteration of the oxygen-dependent reactivity of de novo Due Ferri proteins. Nat Chem (2012) 1.11

An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity. EMBO J (2011) 1.10

A hierarchic approach to the design of hexameric helical barrels. J Mol Biol (2002) 1.10

Polymersomes: a new multi-functional tool for cancer diagnosis and therapy. Methods (2008) 1.09

Oligomerization of fusogenic peptides promotes membrane fusion by enhancing membrane destabilization. Biophys J (2004) 1.09

Using two fluorescent probes to dissect the binding, insertion, and dimerization kinetics of a model membrane peptide. J Am Chem Soc (2009) 1.09

Role of helix nucleation in the kinetics of binding of mastoparan X to phospholipid bilayers. Biochemistry (2007) 1.08

Noncovalent self-assembly of a heterotetrameric diiron protein. Proc Natl Acad Sci U S A (2002) 1.08

Determination of membrane protein stability via thermodynamic coupling of folding to thiol-disulfide interchange. Protein Sci (2003) 1.08

Structural coupling between FKBP12 and buried water. Proteins (2009) 1.07