ArticleProceedings of the National Academy of Sciences of the United States of America2012
Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
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 19 papers.
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Who cites it
19 citing papers in PubMed.
- Pervasive non-triplet alternative splicing drives functional isoform diversity.Nature communications · 2026Article
- Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0].Living journal of computational molecular science · 2025Article
- An evolutionarily conserved tryptophan cage promotes folding of the extended RNA recognition motif in the hnRNPR-like protein family.Protein science : a publication of the Protein Society · 2025Article
- Effect of Main and Side Chains on the Folding Mechanism of the Trp-Cage Miniprotein.ACS omega · 2023Article
- The "Beacon" Structural Model of Protein Folding: Application for Trp-Cage in Water.Molecules (Basel, Switzerland) · 2023Article
- Analysis of Protein Folding Simulation with Moving Root Mean Square Deviation.Journal of chemical information and modeling · 2023Article
- Design and Engineering of Miniproteins.ACS bio & med chem Au · 2022Review
- A Conserved Hydrophobic Moiety and Helix-Helix Interactions Drive the Self-Assembly of the Incretin Analog Exendin-4.Biomolecules · 2021Article
- Cation-π binding ability of BN indole.Chemical communications (Cambridge, England) · 2020Article
- Unperturbed Detection of the Dynamic Structure in the Hydrophobic Core of Trp-Cage via Two-Dimensional Infrared Spectroscopy.The journal of physical chemistry letters · 2020Article
- Competition between crystal and fibril formation in molecular mutations of amyloidogenic peptides.Nature communications · 2017Article
- Aryl-aryl interactions in designed peptide folds: Spectroscopic characteristics and optimal placement for structure stabilization.Biopolymers · 2016Article
- Correlation analysis for heat denaturation of Trp-cage miniprotein with explicit solvent.Protein science : a publication of the Protein Society · 2016Article
- Structure of the extracellular domain of matrix protein 2 of influenza A virus in complex with a protective monoclonal antibody.Journal of virology · 2015Article
- Folding dynamics and pathways of the trp-cage miniproteins.Biochemistry · 2014Article
- Role of tryptophan side chain dynamics on the Trp-cage mini-protein folding studied by molecular dynamics simulations.PloS one · 2014Article
- Circular Permutation of the Trp-cage: Fold Rescue upon Addition of a Hydrophobic Staple.RSC advances · 2013Article
- Protein domain definition should allow for conditional disorder.Protein science : a publication of the Protein Society · 2013Article
- Generating reservoir conformations for replica exchange through the use of the conformational space annealing method.Journal of chemical theory and computation · 2013Article
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Authors and funding
6 authors.
Funding
Abstract
To provide high-resolution X-ray crystallographic structures of a peptide with the Trp-cage fold, we prepared a cyclized version of this motif. Cyclized Trp-cage is remarkably stable and afforded two crystal forms suitable for X-ray diffraction. The resulting higher resolution crystal structures validate the prior NMR models and provide explanations for experimental observations that could not be rationalized by NMR structural data, including the structural basis for the increase in fold stability associated with motif cyclization and the manner in which a polar serine side chain is accommodated in the hydrophobic interior. A hexameric oligomer of the cyclic peptide is found in both crystal forms and indicates that under appropriate conditions, this minimized system may also serve as a model for protein-protein interactions.
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