9E5F: Discovery of an Orally Bioavailable KRAS G12D Inhibitor
X-ray · 1.35 Å · released 22 Jan 2025 · Homo sapiens
Ligands: GDP, A1BEJ
How it was solved
- Method
- X-ray
- Resolution
- 1.35 Å
- Released
- 22 Jan 2025
- Rfree
- 0.178
- Rwork
- 0.153
- Clashscore
- 1.06
- Ramachandran outliers
- 0.00%
- Rotamer outliers
- 0.00%
Crystallisation
- Technique
- Vapor Diffusion, Sitting Drop
- Temperature
- 293.0 K
0.1 M Sodium acetate, pH 4.6,30% PEG 4000 and 0.2M ammonium acetate
What it led to
No case written yet for this entry.
Primary citation
Discovery of INCB159020, an Orally Bioavailable KRAS G12D Inhibitor
Journal of Medicinal Chemistry 2025
KRAS is the target of 2 approved drugs in ChEMBL.
Do it yourself
Field Guide: Xray and crystallisation
Unlocking Membrane Protein Structures: The Crystallization Revolution Reshaping Drug Discovery
Engineering Protein Stability: Unlocking the Secrets of Successful Crystallization
AXIS: Closing the Loop on Crystal Detection
Playbook
The Self-Driving Lab: How Automation and AI Are Redefining the Pace of Discovery
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