ArticleProceedings of the National Academy of Sciences of the United States of America2012
Computational design of a protein crystal.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 62 papers.
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Who cites it
62 citing papers in PubMed.
- Review
- Designability of α-Helical Protein Filaments.Sub-cellular biochemistry · 2026Review
- Inverse Design of DNA-Programmable Protein Colloidal Crystals.Journal of the American Chemical Society · 2025Article
- Bond-centric modular design of protein assemblies.Nature materials · 2025Article
- Modular protein frameworks via supramolecular synthons.Biophysical reviews · 2025Review
- Ordered assemblies of peptide nanoparticles with only positive charge.Nature communications · 2024Article
- De novo design of modular protein hydrogels with programmable intra- and extracellular viscoelasticity.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Agglomeration: when folded proteins clump together.Biophysical reviews · 2023Review
- Accurate computational design of three-dimensional protein crystals.Nature materials · 2023Article
- Protein Design: From the Aspect of Water Solubility and Stability.Chemical reviews · 2022Review
- Computational Design of Single-Peptide Nanocages with Nanoparticle Templating.Molecules (Basel, Switzerland) · 2022Article
- Abscisic acid and aloe-emodin against NS2B-NS3A protease of Japanese encephalitis virus.Environmental science and pollution research international · 2022Article
- Protein Assembly by Design.Chemical reviews · 2021Review
- Redefining Protein Interfaces within Protein Single Crystals with DNA.Journal of the American Chemical Society · 2021Article
- Molecular design of stapled pentapeptides as building blocks of self-assembled coiled coil-like fibers.Science advances · 2021Article
- A complete rule set for designing symmetry combination materials from protein molecules.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Using physical features of protein core packing to distinguish real proteins from decoys.Protein science : a publication of the Protein Society · 2020Article
- Review
- Elfin UI: A Graphical Interface for Protein Design With Modular Building Blocks.Frontiers in bioengineering and biotechnology · 2020Article
- Diverse protein assembly driven by metal and chelating amino acids with selectivity and tunability.Nature communications · 2019Article
2 more citing papers are in PubMed but not listed here.
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Authors and funding
9 authors.
Funding
Abstract
Protein crystals have catalytic and materials applications and are central to efforts in structural biology and therapeutic development. Designing predetermined crystal structures can be subtle given the complexity of proteins and the noncovalent interactions that govern crystallization. De novo protein design provides an approach to engineer highly complex nanoscale molecular structures, and often the positions of atoms can be programmed with sub-Å precision. Herein, a computational approach is presented for the design of proteins that self-assemble in three dimensions to yield macroscopic crystals. A three-helix coiled-coil protein is designed de novo to form a polar, layered, three-dimensional crystal having the P6 space group, which has a "honeycomb-like" structure and hexameric channels that span the crystal. The approach involves: (i) creating an ensemble of crystalline structures consistent with the targeted symmetry; (ii) characterizing this ensemble to identify "designable" structures from minima in the sequence-structure energy landscape and designing sequences for these structures; (iii) experimentally characterizing candidate proteins. A 2.1 Å resolution X-ray crystal structure of one such designed protein exhibits sub-Å agreement [backbone root mean square deviation (rmsd)] with the computational model of the crystal. This approach to crystal design has potential applications to the de novo design of nanostructured materials and to the modification of natural proteins to facilitate X-ray crystallographic analysis.
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