1M17: Epidermal Growth Factor Receptor tyrosine kinase domain with 4-anilinoquinazoline inhibitor erlotinib
X-ray · 2.60 Å · released 4 Sep 2002 · Homo sapiens
Related entries for the same target
same UniProt accessionLigand: AQ4
How it was solved
- Method
- X-ray
- Resolution
- 2.60 Å
- Released
- 4 Sep 2002
- Rfree
- 0.295
- Rwork
- 0.251
- Clashscore
- 11.37
- Ramachandran outliers
- 2.27%
- Rotamer outliers
- 4.01%
Crystallisation
- Technique
- Vapor Diffusion, Hanging Drop
- pH
- 7.0
- Temperature
- 292.0 K
tartrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
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
Structure of the epidermal growth factor
receptor kinase domain alone and in complex
with a 4-anilinoquinazoline inhibitor.
J.Biol.Chem. 2002
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
GOBSMACKED ↗
fold, dock, relax and annotate a protein-ligand complex on your own GPU, then find the crystal structure and g
CODSWALLOP ↗
every PDB entry for a protein family in one place: what was actually made, what it bound, what crystallised, a
TopPDBLX ↗
every crystallisation condition in the protein data bank, parsed and indexed: what worked, how often, and how
FlexAppeal ↗
Set up protein molecular dynamics without writing the script: every OpenMM option explained, a self-contained
BoltzMaker ↗
Build and analyze Boltz-2 protein structure prediction campaigns: a guided input wizard, YAML generation, and