# Structural and Modeling Core

> **NIH NIH U19** · SCRIPPS RESEARCH INSTITUTE, THE · 2022 · $1,659,453

## Abstract

SUMMARY
The Structural and Modeling Core (Core E) is an integral component of the Center for Antiviral Medicines
& Pandemic Preparedness (CAMPP) and its role is to support biophysical characterization, structure
determination, validation, ligand screening and ligand optimization of viable targets for drug discovery
campaigns. Core E will express and purify selected target proteins and determine high-resolution 3D structures
of targets with hit compounds to assist target validation and inform on lead optimization and structure-guided
drug design in collaboration with the Projects and Cores. A two-pronged approach of simultaneous screening
of purified proteins by x-ray crystallography and single particle electron microscopy will maximize success. The
molecular structures will enable in silico ligand screening, and development of molecular probes for optimized
target characterization in cellular assays that serve as structural foundations for SAR analyses. Core E will work
closely with the other Projects and Cores to identify and prioritize candidate targets that are amenable for
structure determination and subsequent structure-based drug design and optimization. We will also structurally
and computationally validate hit molecules from high-throughput screens and work with the High Throughput
Screening Core A (HTS) Medicinal Chemistry Core B (MCC), Executive Committee, and Scientific
Advisory Board to develop promising small molecule hits into lead compounds, and ultimately clinical
candidates. The existing high level of expertise in Core E and the state-of-the art equipment/technologies at
TSRI will enable rapid “gene-to-structure” studies of the target proteins. Core E is led by recognized world
leaders in high-throughput structure determination by x-ray crystallography and cryo-electron microscopy (cryo-
EM), in silico modeling, hit generation and structure-based optimization. The extensive infrastructure built for
high-throughput structural biology at TSRI in the 16-year NIH Protein Structure Initiative (PSI) program in
structural genomics substantially augments Core E’s ability to solve structures of target proteins to validate
potential drug targets, enhance the throughput and effectiveness of drug discovery campaigns, and contribute
valuable experimental data, assays, and probes to CAMPP.

## Key facts

- **NIH application ID:** 10514323
- **Project number:** 1U19AI171443-01
- **Recipient organization:** SCRIPPS RESEARCH INSTITUTE, THE
- **Principal Investigator:** IAN A WILSON
- **Activity code:** U19 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2022
- **Award amount:** $1,659,453
- **Award type:** 1
- **Project period:** 2022-05-16 → 2026-04-30

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10514323

## Citation

> US National Institutes of Health, RePORTER application 10514323, Structural and Modeling Core (1U19AI171443-01). Retrieved via AI Analytics 2026-06-01 from https://api.ai-analytics.org/grant/nih/10514323. Licensed CC0.

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