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TitleSTX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Journal, issue, pagesClin. Cancer Res., Vol. 31, Page 3002-3018, Year 2025
Publish dateAug 29, 2024 (structure data deposition date)
AuthorsPagliarini, R.A. / Henderson, J.A. / Milgram, B.C. / Borrelli, D.R. / Brooijmans, N. / Hilbert, B.J. / Huff, M.R. / Ito, T. / Kryukov, G.V. / Ladd, B. ...Pagliarini, R.A. / Henderson, J.A. / Milgram, B.C. / Borrelli, D.R. / Brooijmans, N. / Hilbert, B.J. / Huff, M.R. / Ito, T. / Kryukov, G.V. / Ladd, B. / Martin, B.R. / Motiwala, H. / O'Hearn, E. / Tsai, C.F. / Wang, W. / Bellier, J. / Boland, L. / Clark, S. / Hensley, E. / Hata, A.N. / Kuzmic, P. / Guzman-Perez, A. / Jackson, E.L. / Stuart, D.D.
External linksClin. Cancer Res. / PubMed:40465424
MethodsX-ray diffraction
Resolution1.632 - 3.12 Å
Structure data

PDB-9df2:
EGFR Exon20 insertion mutant ASV bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-9df3:
EGFR Exon20 insertion mutant SVD bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-9df4:
EGFR Exon20 insertion mutant SVD bound with STX-721
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-9gi9:
Wildtype EGFR bound with (R)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Method: X-RAY DIFFRACTION / Resolution: 3.12 Å

PDB-9gl7:
EGFR Exon20 insertion mutant NPG bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Method: X-RAY DIFFRACTION / Resolution: 1.878 Å

PDB-9gl8:
EGFR Exon20 insertion mutant NPG bound with STX-721
Method: X-RAY DIFFRACTION / Resolution: 1.632 Å

PDB-9gl9:
Wild-type EGFR bound with STX-721
Method: X-RAY DIFFRACTION / Resolution: 2.147 Å

Chemicals

PDB-1ims:
MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG)

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

PDB-1a4e:
CATALASE A FROM SACCHAROMYCES CEREVISIAE

PDB-1ilz:
OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI N156A ACTIVE SITE MUTANT pH 6.1

ChemComp-NA:
Unknown entry

PDB-1imt:
MAMBA INTESTINAL TOXIN 1, NMR, 39 STRUCTURES

Source
  • homo sapiens (human)
KeywordsONCOPROTEIN / TRANSFERASE/TRANSFERASE INHIBITOR / Kinase / Inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex / EGFR wildtype / TRANSFERASE

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