ArticleProceedings of the National Academy of Sciences of the United States of America2012
Direct observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography.
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 36 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
36 citing papers in PubMed.
- Direct from the seed: an atomic resolution protein structure by ab initio MicroED.Nature communications · 2026Article
- Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0].Living journal of computational molecular science · 2025Article
- Protonated Glutamate and Aspartate Side Chains Can Recognize Phosphodiester Groups via Strong and Short Hydrogen Bonds in Biomacromolecular Complexes.Angewandte Chemie (International ed. in English) · 2025Article
- "Seeing Is Believing": How Neutron Crystallography Informs Enzyme Mechanisms by Visualizing Unique Water Species.Biology · 2024Review
- Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature.IUCrJ · 2024Article
- Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.Communications chemistry · 2023Article
- The mechanisms of catalysis and ligand binding for the SARS-CoV-2 NSP3 macrodomain from neutron and X-ray diffraction at room temperature.bioRxiv : the preprint server for biology · 2022Article
- Neutron scattering in photosynthesis research: recent advances and perspectives for testing crop plants.Photosynthesis research · 2021Article
- Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.Nucleic acids research · 2021Article
- A Geometric Definition of Short to Medium Range Hydrogen-Mediated Interactions in Proteins.Molecules (Basel, Switzerland) · 2020Article
- Isolation and Characterization of Antimicrobial Peptides with Unusual Disulfide Connectivity from the Colonial AscidianMarine drugs · 2020Article
- On the complementarity of X-ray and NMR data.Journal of structural biology: X · 2020Article
- Biomolecular Solvation Structure Revealed by Molecular Dynamics Simulations.Journal of the American Chemical Society · 2019Article
- Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer.Acta crystallographica. Section D, Structural biology · 2018Article
- Cryo-neutron crystallographic data collection and preliminary refinement of left-handed Z-DNA d(CGCGCG).Acta crystallographica. Section F, Structural biology communications · 2018Article
- Redox manipulation of the manganese metal in human manganese superoxide dismutase for neutron diffraction.Acta crystallographica. Section F, Structural biology communications · 2018Article
- Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.Nature communications · 2018Article
- Neutron Crystallography for the Study of Hydrogen Bonds in Macromolecules.Molecules (Basel, Switzerland) · 2017Review
- Getting the chemistry right: protonation, tautomers and the importance of H atoms in biological chemistry.Acta crystallographica. Section D, Structural biology · 2017Article
- Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
Abstract
The 1.1 Å, ultrahigh resolution neutron structure of hydrogen/deuterium (H/D) exchanged crambin is reported. Two hundred ninety-nine out of 315, or 94.9%, of the hydrogen atom positions in the protein have been experimentally derived and resolved through nuclear density maps. A number of unconventional interactions are clearly defined, including a potential O─H…π interaction between a water molecule and the aromatic ring of residue Y44, as well as a number of potential C─H…O hydrogen bonds. Hydrogen bonding networks that are ambiguous in the 0.85 Å ultrahigh resolution X-ray structure can be resolved by accurate orientation of water molecules. Furthermore, the high resolution of the reported structure has allowed for the anisotropic description of 36 deuterium atoms in the protein. The visibility of hydrogen and deuterium atoms in the nuclear density maps is discussed in relation to the resolution of the neutron data.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.