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Designing a functional type 2 copper center that has nitrite reductase activity within -helical coiled coils
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journal
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December 2012 |
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De novo design of a transmembrane Zn 2+ -transporting four-helix bundle
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Refined structure of human carbonic anhydrase II at 2.0 Å resolution
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Oxygen Binding, Activation, and Reduction to Water by Copper Proteins
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De Novo-Designed β-Sheet Heme Proteins
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Metalloproteins and metal sensing
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Structure of the Catalytic Domain of Fibroblast Collagenase Complexed with an Inhibitor
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De novo metalloprotein design
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December 2021 |
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An efficient, step-economical strategy for the design of functional metalloproteins
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Structure of Human Pro-Matrix Metalloproteinase-2: Activation Mechanism Revealed
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June 1999 |
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An artificial di-iron oxo-protein with phenol oxidase activity
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A designed supramolecular protein assembly with in vivo enzymatic activity
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Metal ions in biological catalysis: from enzyme databases to general principles
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July 2008 |
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Control of Protein Oligomerization Symmetry by Metal Coordination: C 2 and C 3 Symmetrical Assemblies through Cu II and Ni II Coordination
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April 2009 |
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Minimal Heterochiral de Novo Designed 4Fe–4S Binding Peptide Capable of Robust Electron Transfer
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August 2018 |
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Lessons from Nature: A Bio-Inspired Approach to Molecular Design
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Non-heme iron enzymes: Contrasts to heme catalysis
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Robust deep learning–based protein sequence design using ProteinMPNN
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Classification of mononuclear zinc metal sites in protein structures
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Metal search: A computer program that helps design tetrahedral metal-binding sites
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De Novo Design of a Redox-Active Minimal Rubredoxin Mimic
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Construction of new ligand binding sites in proteins of known structure
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Plastocyanin: Structure and function
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Redox- and metal-directed structural diversification in designed metalloprotein assemblies
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β-Hairpin Peptides: Heme Binding, Catalysis, and Structure in Detergent Micelles
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May 2013 |
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Miniaturized metalloproteins: Application to iron-sulfur proteins
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October 2000 |
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De novo design of catalytic proteins
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How do bacterial cells ensure that metalloproteins get the correct metal?
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Benchmarking a computational design method for the incorporation of metal ion‐binding sites at symmetric protein interfaces
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May 2017 |
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Zinc-binding structure of a catalytic amyloid from solid-state NMR
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May 2017 |
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Structural and Functional Aspects of Metal Sites in Biology
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Evolution of Metal Selectivity in Templated Protein Interfaces
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Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein
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February 2020 |
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Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion
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Copper Active Sites in Biology
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Rosetta3: An Object-Oriented Software Suite for the Simulation and Design of Macromolecules
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Abiotic reduction of ketones with silanes catalysed by carbonic anhydrase through an enzymatic zinc hydride
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Overcoming universal restrictions on metal selectivity by protein design
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March 2022 |
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Hydrolytic catalysis and structural stabilization in a designed metalloprotein
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November 2011 |
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Computationally Guided Redesign of a Heme-free Cytochrome with Native-like Structure and Stability
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Competition among Metal Ions for Protein Binding Sites: Determinants of Metal Ion Selectivity in Proteins
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September 2013 |
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Design and Construction of Functional Supramolecular Metalloprotein Assemblies
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Metal‐Templated Design of Chemically Switchable Protein Assemblies with High‐Affinity Coordination Sites
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September 2020 |
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Controlling Protein−Protein Interactions through Metal Coordination: Assembly of a 16-Helix Bundle Protein
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November 2007 |
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De Novo Design of an Allosteric Metalloprotein Assembly with Strained Disulfide Bonds
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Linear Free-Energy Analysis of Mercury(II) and Cadmium(II) Binding to Three-Stranded Coiled Coils †
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Alteration of the oxygen-dependent reactivity of de novo Due Ferri proteins
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In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds
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August 2013 |
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Computational design of a homotrimeric metalloprotein with a trisbipyridyl core
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December 2016 |
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Proton Coupling to [4Fe-4S]2+/+ and [4Fe-4Se]2+/+ Oxidation and Reduction in a Designed Protein
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Artificial Metalloenzymes: Challenges and Opportunities
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Metal Binding Affinity and Selectivity in Metalloproteins: Insights from Computational Studies
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Carbonic Anhydrase: New Insights for an Ancient Enzyme
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Scaffolding protein functional sites using deep learning
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Repurposing proteins for new bioinorganic functions
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May 2017 |
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Computational Design of an Unnatural Amino Acid Dependent Metalloprotein with Atomic Level Accuracy
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August 2013 |
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Electron Flow through Metalloproteins
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Metal-Directed Protein Self-Assembly
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Ferredoxin and ferredoxin-heme maquettes
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Matrix metalloproteinases: a tail of a frog that became a prince
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Highly accurate protein structure prediction with AlphaFold
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Retrostructural analysis of metalloproteins: Application to the design of a minimal model for diiron proteins
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June 2000 |
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A protein engineered to bind uranyl selectively and with femtomolar affinity
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Protein Design: Toward Functional Metalloenzymes
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January 2014 |
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Metal-Mediated Affinity and Orientation Specificity in a Computationally Designed Protein Homodimer
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December 2011 |
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Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving–Williams Behavior
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September 2022 |
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Active site electronic structure and dynamics during metalloenzyme catalysis
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January 2003 |
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Design of functional metalloproteins
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August 2009 |
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Construction and in vivo assembly of a catalytically proficient and hyperthermostable de novo enzyme
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August 2017 |
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Electron Transfer in Proteins
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June 1996 |
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Broadly applicable and accurate protein design by integrating structure prediction networks and diffusion generative models
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MetalPDB in 2018: a database of metal sites in biological macromolecular structures
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October 2017 |
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A monodisperse transmembrane α-helical peptide barrel
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November 2016 |
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Constructing ion channels from water-soluble α-helical barrels
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May 2021 |
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New algorithms and an in silico benchmark for computational enzyme design
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December 2006 |
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De Novo-Designed Metallopeptides with Type 2 Copper Centers: Modulation of Reduction Potentials and Nitrite Reductase Activities
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November 2013 |
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Hemoglobin
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Artificial Metalloenzymes: Reaction Scope and Optimization Strategies
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Searching for harmony in transition-metal signaling
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