Deposited EGFR–lapatinib crystal complex
Biochemical assay · Human EGFR kinase-domain crystallographic complex, PDB 1XKK; a purified-protein structural experiment, not a human or animal treatment study. [1]
The deposited X-ray structure PDB 1XKK reports an EGFR kinase-domain complex with lapatinib (GW572016) at 2.40 Å resolution. The bound ligand is recorded as chemical component FMM. This is a molecular-level structural observation: the neutral chemical-component representation does not establish the starting reagent salt, free-base formulation performance, kinase potency, cellular response or tumour efficacy.
| Endpoint | Reported result | Reference |
|---|---|---|
| Reported high-resolution limit of the deposited crystal diffraction model | X-ray resolution 2.40 Å | [1] |
Literature-Reported Treatment Conditions
- Method
- X-ray diffraction of an EGFR kinase-domain complex containing modeled FMM ligand. No assay dosing schedule is adopted.
- Reported limits
- The retrieved deposit/CCD identity records do not establish the starting reagent salt, supplier or lot. Journal full methods were not retrieved. No treatment potency or dose is transferred from this structure.
Methods and source locations
Compound reported in the paper: Lapatinib; Compound label in the paper: GW572016; PDB chemical component FMM
Compound-level EGFR complex observation only. A neutral CCD representation does not demonstrate the experimental protonation state or starting free-base material. No salt equivalence, potency/dose transfer or product-lot validation is asserted.
PDB 1XKK v1.3: _struct.title; _entity (EGFR kinase domain); _pdbx_entity_nonpoly (FMM); _atom_site FMM rows; _exptl.method; _refine.ls_d_res_high; _citation and _database_2
Reported high-resolution limit of the deposited crystal diffraction model: X-ray diffraction; deposited _refine.ls_d_res_high. Depositor Rwork 0.209 and Rfree 0.255 were checked as model context, not independent re-refinement. — PDB 1XKK v1.3 mmCIF: _exptl.method; _refine.ls_d_res_high, _refine.ls_R_factor_R_work and _refine.ls_R_factor_R_free