9EWT

Optimisation of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Epidermal growth factor receptor	polymer	332	37774.6	2	UniProt (P00533) Pfam (PF07714)	Homo sapiens (human)	Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1
2	C, D (A, B)	1-[2-[3-[(E)-2-(5-cyclopropyl-1,3-oxazol-2-yl)ethenyl]phenyl]-3-pyridin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one	non-polymer		451.5	2	Chemie (A1H7O)
3	E, F (A, B)	water	water		18.0	19	Chemie (HOH)

Sequence modifications

A, B: 695 - 1025 (UniProt: P00533)

PDB	External Database	Details
Gly 694	-	expression tag
Gly 773	-	insertion
Asn 774	-	insertion
Pro 775	-	insertion
Arg 951	Val 948	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75549.2
Non-Polymers*	Number of molecules	2
	Total formula weight	903.0
All*	Total formula weight	76452.2

*Water molecules are not included.