NMR-assisted crystallography to map enzyme active sites and hydrogen atoms
Official title: NMR crystallography: Imaging active site chemistry and protonation states
Funded at University of California Riverside · NIH-11379498 · Data updated 2026-11-12
A patient-facing description of a project using advanced imaging to reveal exact enzyme structures and hydrogen positions that could inform better treatments for diseases linked to Arylsulfatase A deficiency and Cerebroside Sulphatase deficiency.
Quick facts
| Grant type | NIH-funded research |
|---|---|
| Study type | NIH-funded research |
| Funding institution | University of California Riverside NIH-funded |
| Lab location | 1 site (Riverside, United States) |
| Project start | August 1, 2022 |
| Project end | July 31, 2027 |
| Funding year | 2026 |
| Award (this year) | $443,239 |
| NIH project number | 5R35GM145369-05 |
| Project ID | NIH-11379498 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates are individuals affected by Arylsulfatase A deficiency disease or Cerebroside Sulphatase deficiency disease whose condition could benefit from insights into enzyme chemistry and therapeutic design.
✕Less likely to help
Patients not connected to enzyme-targeted therapies or where no direct therapeutic development is anticipated may see limited immediate benefit.
What this research studies
This project combines three powerful tools—solid-state NMR, X-ray crystallography, and computer modeling—to map enzyme active sites at atomic detail, including where hydrogens sit. By comparing predicted and measured NMR signals, researchers aim to build precise models of how enzymes work and how to block or modify their activity with therapeutics. The work focuses on PLP-dependent enzymes and beta-lactamases, which are connected to metabolism and antibiotic resistance, with potential implications for drug design. If successful, the findings could guide development of better treatments for related diseases and help overcome drug resistance. The approach is designed to provide a clear, atom-by-atom view of enzyme chemistry that can inform future therapies.
Why it matters
Potential benefit: Could lead to more accurate drug designs and targeted therapies for related diseases by revealing exact enzyme chemistry.
How similar studies have gone: Previous work has shown that combining NMR with X-ray data can accurately identify active-site structures, supporting this approach as promising.
Where this research is happening
-
University of California Riverside
Riverside, United States Active
Researchers
- Principal investigator: Mueller, Leonard J — University of California Riverside
- Study coordinator: Mueller, Leonard J
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About this research
- This is an active NIH-funded research project — typically early-stage science, not a clinical trial accepting patient enrollment.
- Some NIH-funded labs run parallel clinical studies or seek volunteers for related work. To check, contact the principal investigator or institution listed above.
- For full project details, budget, and progress reports, visit the official NIH RePORTER page.