ArticleJournal of structural biology: X2020
On the complementarity of X-ray and NMR data.
Article in Journal of structural biology: X, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Probing Solution Dynamics of Tissue Factor Using Molecular Dynamics Simulations Guided by NMR Chemical Shifts.The journal of physical chemistry. B · 2026Article
- Structural and functional dissection of the WH2/DAD motif of INF2, a formin linked to human inherited degenerative disorders.The FEBS journal · 2026Article
- Differentiating the solution structures and stability of transthyretin tetramer complexed with tolcapone and tafamidis using SEC-SWAXS and NMR.Journal of applied crystallography · 2025Article
- NMR-driven structure-based drug discovery by unveiling molecular interactions.Communications chemistry · 2025Review
- Review
- The structure of His15 acetamide-modified hen egg-white lysozyme: a nice surprise from an old friend.Acta crystallographica. Section F, Structural biology communications · 2025Article
- The hidden role of heterotrophic bacteria in early carbonate diagenesis.Scientific reports · 2025Article
- DTBind: A Mechanism-Driven Deep Learning Framework for Accurate Prediction of Drug-Target Molecular Recognition.Research (Washington, D.C.) · 2025Article
- Structural Phylogenetics with Protein Mass Spectrometry: A Proof-of-Concept.The protein journal · 2024Article
- Technologies for Direct Detection of Covalent Protein-Drug Adducts.Pharmaceuticals (Basel, Switzerland) · 2023Review
- Current status of structural studies of proteins originating from Arachnida.Systematic and applied acarology · 2023Article
- Decoding human-macaque interspecies differences in Fc-effector functions: The structural basis for CD16-dependent effector function in Rhesus macaques.Frontiers in immunology · 2022Article
- Characterization of backbone dynamics using solution NMR spectroscopy to discern the functional plasticity of structurally analogous proteins.STAR protocols · 2021Article
- Ten things I `hate' about refinement.Acta crystallographica. Section D, Structural biology · 2021Article
- Article
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Authors and funding
7 authors.
Funding
Abstract
X-ray crystallography and NMR contain complementary information for the structural characterization of biological macromolecules. X-ray diffraction is primarily sensitive to the overall shape of the molecule, whereas NMR is mostly sensitive to the atomic detail. Their combination can therefore provide a stronger justification for the resulting structure. For their combination we have recently proposed REFMAC-NMR, which relies on primary data from both techniques for joint refinement. This possibility raises the compelling question of how far the complementarity can be extended. In this paper, we describe an integrative approach to the refinement with NMR data of four X-ray structures of hen-egg-white lysozyme, solved at atomic resolution in four different crystal forms, and we demonstrate that the outcome critically depends on the crystal form itself, reflecting the sensitivity of NMR to fine details.
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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.