4HJO: Crystal structure of the inactive EGFR tyrosine kinase domain with erlotinib
X-ray · 2.75 Å · released 14 Nov 2012 · Homo sapiens
Related entries for the same target
same UniProt accessionLigand: AQ4
How it was solved
- Method
- X-ray
- Resolution
- 2.75 Å
- Released
- 14 Nov 2012
- Rfree
- 0.253
- Rwork
- 0.230
- Clashscore
- 7.79
- Ramachandran outliers
- 0.00%
- Rotamer outliers
- 0.84%
Crystallisation
- Technique
- Vapor Diffusion, Hanging Drop
- pH
- 6.9
- Temperature
- 294.15 K
0.25 M sodium thiocyanate, 27% w/v PEG3350, 10 mM taurine, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K
What it led to
GOBSMACKED: fold, dock, relax and annotate a protein-ligand complex, then grade it against the real crystal structure
Playbook · 15 Sep 2026
Primary citation
Erlotinib binds both inactive and active conformations of the EGFR tyrosine kinase domain.
Biochem.J. 2012
EGFR is the target of 20 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
Tools
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