1IEP: CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571.
X-ray · 2.10 Å · released 18 Apr 2001 · Mus musculus
Ligand: STI
How it was solved
- Method
- X-ray
- Resolution
- 2.10 Å
- Released
- 18 Apr 2001
- Rfree
- 0.262
- Rwork
- 0.231
- Clashscore
- 16.30
- Ramachandran outliers
- 1.29%
- Rotamer outliers
- 2.71%
Crystallisation
- Technique
- Vapor Diffusion, Hanging Drop
- pH
- 6.5
- Temperature
- 277.0 K
PEG 4000, MAGNESIUM CHLORIDE, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
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
Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571)
Cancer Res. 2002
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