9E5D: Discovery of an Orally Biovailable KRAS G12D Inhibitor
X-ray · 1.36 Å · released 22 Jan 2025 · Homo sapiens
Ligands: GDP, A1BEI
How it was solved
- Method
- X-ray
- Resolution
- 1.36 Å
- Released
- 22 Jan 2025
- Rfree
- 0.193 (good for this resolution)
- Rwork
- 0.167
- Clashscore
- 1.09 (few clashes)
- Ramachandran outliers
- 0.00% (within the usual range)
- Rotamer outliers
- 2.13%
Crystallisation
- Technique
- Vapor Diffusion, Sitting Drop
- Temperature
- 293.0 K
0.2M (NH4)3 Citrate, 20% (w/v) PEG 3350
What is new
Every indexed entry sharing P01116, coloured by method, with 9E5D highlighted.
What it led to
Discovery of an Orally Bioavailable KRAS G12D Inhibitor_2
Casebook · 8 Mar 2026
2025 – Discovery of INCB159020, an Orally Bioavailable KRAS G12D Inhibitor
Casebook · 11 Aug 2025
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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