10PI: JAK1 kinase (JH1 domain) in complex with povorcitinib

Crystallisation

Technique

Vapor Diffusion, Sitting Drop

Temperature

277.0 K

0.1 M BIS-TRIS-Propane, pH 8.50, 20 % (w/v) PEG 3350, 5 mM K2-H-Phosphate, 5 mM K-H2-Phosphate, 5 mM Na2-H-Phosphate, 5 mM Na-H2-Phosphate

Primary citation

Discovery of the Orally Bioavailable Isoform Selective Janus Kinase 1 (JAK1) Compound Povorcitinib (INCB054707) for the Treatment of Inflammatory and Autoimmune Diseases
Journal of Medicinal Chemistry 2026

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