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4zse

Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II

Method: X-RAY DIFFRACTION Dmax: 103.6 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Epidermal growth factor receptor

Homo sapiens

UniProt P00533

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 695–1022 Chain D； UniProt 695–1022 Fragment：UNP RESIDUES 695-1022 Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；25% PEG 3350, 100mM Bis-Tris pH 6.0 Resolution 1.97 Å R-free 0.213
2 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 695–1022 Chain C； UniProt 695–1022 Fragment：UNP RESIDUES 695-1022 Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；25% PEG 3350, 100mM Bis-Tris pH 6.0 Resolution 1.97 Å R-free 0.213

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 4ZSE Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1IVO Crystal Structure of the Complex of Human Epidermal Growth Factor and Receptor Extracellular Domains. Deposited 2002-03-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 25–646（622 aa） Fragment：extracellular domains I, II, II and IV
Chain B 25–646（622 aa） Fragment：extracellular domains I, II, II and IV
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；PEG4000, PEG6000, sodium acetate, sodium chloride, TRIS, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.30 Å R-free 0.326
1M14 Tyrosine Kinase Domain from Epidermal Growth Factor Receptor Deposited 2002-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：tyrosine kinase domain (residues 671-998)
Mutation：E666G, P667S, L668H, T669M, P670A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；tartrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.60 Å R-free 0.286
1M17 Epidermal Growth Factor Receptor tyrosine kinase domain with 4-anilinoquinazoline inhibitor erlotinib Deposited 2002-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：tyrosine kinase domain (residues 671-998)
Not recorded AQ4 [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；tartrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.60 Å R-free 0.295
1MOX Crystal Structure of Human Epidermal Growth Factor Receptor (residues 1-501) in complex with TGF-alpha Deposited 2002-09-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 25–525（501 aa） Fragment：Extracellular Fragment
Chain B 25–525（501 aa） Fragment：Extracellular Fragment
Not recorded PT PLATINUM (II) ION × 7 CD CADMIUM ION × 11 CL CHLORIDE ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；7% PEG 3350, 20% Trehalose, 10mM CdCl2, 100mM HEPES, di-mu-iodobis(ethylenediamine)diplatinum nitrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.289
1XKK EGFR kinase domain complexed with a quinazoline inhibitor- GW572016 Deposited 2004-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：EGFR kinase domain
Not recorded PO4 PHOSPHATE ION × 2 FMM N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；100 mM CAPS, 200 mM LiSO4, 2M NaKPO4, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.255
1YY9 Structure of the extracellular domain of the epidermal growth factor receptor in complex with the Fab fragment of cetuximab/Erbitux/IMC-C225 Deposited 2005-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–642（618 aa） Fragment：UNP residues 25-642
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；300 K；PEG 3450, Ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 2.60 Å R-free 0.289
1Z9I A Structural Model for the Membrane-Bound Form of the Juxtamembrane Domain of the Epidermal Growth Factor Receptor Deposited 2005-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 669–721（53 aa） Fragment：sequence database residues 669-721
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5；308 K；Pressure 1
NMR sample composition 1.5 mM JX EGFR in 90 mM DPC 15N,13C, 90% H20, 10% D20 | 90% H20, 10% D20
NMR sample composition 1.5 mM JX EGFR in 90 mM DPC 15N in dry acrylamide gel then compress in the NMR tube, 90% H20, 10% D20 | 90% H20, 10% D20
Resolution not provided
2EB2 Crystal structure of mutated EGFR kinase domain (G719S) Deposited 2007-02-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain, UNP residues 695-1022
Mutation：G719S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M MES, 1.1M Na/K tartrate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.253
2EB3 Crystal structure of mutated EGFR kinase domain (L858R) in complex with AMPPNP Deposited 2007-02-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain, UNP residues 695-1022
Mutation：L858R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；0.1M Tris-HCl, 28% PEG 3000, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.84 Å R-free 0.236
2GS2 Crystal Structure of the active EGFR kinase domain Deposited 2006-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；1M NaMalonate, 100 mM HEPES, pH 7.0, VAPOR DIFFUSION, temperature 293K
Resolution 2.80 Å R-free 0.250
2GS7 Crystal Structure of the inactive EGFR kinase domain in complex with AMP-PNP Deposited 2006-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa） Fragment：kinase domain, residues 696-1022
Chain B 696–1022（327 aa） Fragment：kinase domain, residues 696-1022
Mutation：V924R Mutation：V924R MG MAGNESIUM ION × 2 IOD IODIDE ION × 11 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；20% PEG3350, 0.2 M NaI, 100 mM Bis-Tris Propane, pH 8.5, VAPOR DIFFUSION, temperature 293K
Resolution 2.60 Å R-free 0.298
2ITN Crystal structure of EGFR kinase domain G719S mutation in complex with AMP-PNP Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1019（324 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M KNA TARTRATE, 0.1M HEPES 7.5
Resolution 2.47 Å R-free 0.267
2ITO Crystal structure of EGFR kinase domain G719S mutation in complex with Iressa Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES IRE Gefitinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M KNA TARTRATE, 0.1M HEPES 7.5
Resolution 3.25 Å R-free 0.266
2ITP Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788 Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES AEE 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M KNA TARTRATE, 0.1M HEPES 7.5
Resolution 2.74 Å R-free 0.255
2ITQ Crystal structure of EGFR kinase domain G719S mutation in complex with AFN941 Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES ITQ 1,2,3,4-Tetrahydrogen Staurosporine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M KNA TARTRATE, 0.1M HEPES 7.5
Resolution 2.68 Å R-free 0.263
2ITT Crystal structure of EGFR kinase domain L858R mutation in complex with AEE788 Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES AEE 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；40% PEG400, 0.15M NACL, 0.1M HEPES 8.0, pH 7.5
Resolution 2.73 Å R-free 0.262
2ITU Crystal structure of EGFR kinase domain L858R mutation in complex with AFN941 Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES ITQ 1,2,3,4-Tetrahydrogen Staurosporine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；40% PEG400, 0.15M NACL, 0.1M HEPES 8.0, pH 7.50
Resolution 2.80 Å R-free 0.258
2ITV Crystal structure of EGFR kinase domain L858R mutation in complex with AMP-PNP Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；40% PEG400, 0.15M NACL, 0.1M HEPES 7.5, pH 7.50
Resolution 2.47 Å R-free 0.242
2ITW Crystal structure of EGFR kinase domain in complex with AFN941 Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Not recorded ITQ 1,2,3,4-Tetrahydrogen Staurosporine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M KNA TARTRATE, 0.1M HEPES 7.5, pH 7.50
Resolution 2.88 Å R-free 0.256
2ITX Crystal structure of EGFR kinase domain in complex with AMP-PNP Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN RESIDUES 696-1022
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M KNA TARTRATE, 0.1M HEPES 7.5, pH 7.50
Resolution 2.98 Å R-free 0.261
2ITY Crystal structure of EGFR kinase domain in complex with Iressa Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Not recorded IRE Gefitinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M KNA TARTRATE, 0.1M HEPES 7.5, pH 7.50
Resolution 3.42 Å R-free 0.260
2ITZ Crystal structure of EGFR kinase domain L858R mutation in complex with Iressa Deposited 2006-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES CL CHLORIDE ION × 1 IRE Gefitinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；40% PEG400, 0.15M NACL, 0.1M HEPES PH7.5, pH 7.50
Resolution 2.80 Å R-free 0.255
2J5E Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 13-jab Deposited 2006-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M NAK TARTRATE, 0.1M HEPES PH 7.5
Resolution 3.10 Å R-free 0.255
2J5F Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 34-jab Deposited 2006-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Not recorded DJK N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M NAK TARTRATE, 0.1M HEPES PH 7.5
Resolution 3.00 Å R-free 0.246
2J6M Crystal structure of EGFR kinase domain in complex with AEE788 Deposited 2006-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Not recorded AEE 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.2M NAK TARTRATE, 0.1M HEPES 7.5, pH 7.50
Resolution 3.10 Å R-free 0.249
2JIT Crystal structure of EGFR kinase domain T790M mutation Deposited 2007-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1M HEPES 7.5, 0.3M NACL, 21% PEG6K, 5MM TCEP
Resolution 3.10 Å R-free 0.249
2JIT Crystal structure of EGFR kinase domain T790M mutation Deposited 2007-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 696–1022（327 aa） Fragment：KINASE DOMAIN, RESIDUES 696-1022
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1M HEPES 7.5, 0.3M NACL, 21% PEG6K, 5MM TCEP
Resolution 3.10 Å R-free 0.249
2JIU Crystal structure of EGFR kinase domain T790M mutation in complex with AEE788 Deposited 2007-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：KINASE DOMAIN, RESIDUES 695-1022
Mutation：YES AEE 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1M HEPES 7.5, 0.3M NACL, 21% PEG6K, 5MM TCEP
Resolution 3.05 Å R-free 0.277
2JIU Crystal structure of EGFR kinase domain T790M mutation in complex with AEE788 Deposited 2007-07-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：KINASE DOMAIN, RESIDUES 695-1022
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1M HEPES 7.5, 0.3M NACL, 21% PEG6K, 5MM TCEP
Resolution 3.05 Å R-free 0.277
2JIV Crystal structure of EGFR kinase domain T790M mutation in compex with HKI-272 Deposited 2007-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：KINASE DOMAIN, RESIDUES 695-1022
Mutation：YES HKI N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1M HEPES PH7.0, 0.2M LI2SO4, 28% PEG3350, 5MM TCEP, pH 7.5
Resolution 3.50 Å R-free 0.284
2JIV Crystal structure of EGFR kinase domain T790M mutation in compex with HKI-272 Deposited 2007-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：KINASE DOMAIN, RESIDUES 695-1022
Mutation：YES HKI N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1M HEPES PH7.0, 0.2M LI2SO4, 28% PEG3350, 5MM TCEP, pH 7.5
Resolution 3.50 Å R-free 0.284
2KS1 Heterodimeric association of Transmembrane domains of ErbB1 and ErbB2 receptors Enabling Kinase Activation Deposited 2009-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 634–677（44 aa） Fragment：ErbB1TM domain, UNP residues 634-677
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 4.5；313 K；Ionic strength (raw mmCIF value) 10；Pressure ambient
NMR sample composition 1 mM [U-100% 15N] ErbB1TM-1, 1 mM [U-100% 15N] ErbB2TM-2, 12 mM DMPC-3, 48 mM DHPC-4, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] ErbB1TM-5, 1 mM ErbB2TM-6, 12 mM [U-2H] DMPC-7, 48 mM [U-2H] DHPC-8, 100% D2O | 100% D2O
NMR sample composition 1 mM ErbB1TM-9, 1 mM [U-100% 13C; U-100% 15N] ErbB2TM-10, 12 mM [U-2H] DMPC-11, 48 mM [U-2H] DHPC-12, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] ErbB1TM-13, 1 mM ErbB2TM-14, 12 mM [U-2H] DMPC-15, 48 mM [U-2H] DHPC-16, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
2M0B Homodimeric transmembrane domain of the human receptor tyrosine kinase ErbB1 (EGFR, HER1) in micelles Deposited 2012-10-24 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 634–677（44 aa） Fragment：Transmembrane region residues 634-677
Chain B 634–677（44 aa） Fragment：Transmembrane region residues 634-677
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5；313 K；Ionic strength (raw mmCIF value) 50；Pressure ambient
NMR sample composition 0.75 mM [U-99% 13C; U-99% 15N] ErbB1tm, 0.75 mM ErbB1tm, 90 mM [U-99% 2H] DPC, 0.3 mM sodium azide, 6 mM TCEP, 10 mM citric acid, 20 mM Na2HPO4, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition 0.75 mM [U-99% 13C; U-99% 15N] ErbB1tm, 0.75 mM ErbB1tm, 90 mM [U-99% 2H] DPC, 0.3 mM sodium azide, 6 mM TCEP, 10 mM citric acid, 20 mM Na2HPO4, 99.9% D2O | 99.9% D2O
Resolution not provided
2M20 EGFR transmembrane - juxtamembrane (TM-JM) segment in bicelles: MD guided NMR refined structure. Deposited 2012-12-11 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 642–697（56 aa） Fragment：EGFR Transmembrane-Juxtamembrane segment, UNP residues 642-697
Chain B 642–697（56 aa） Fragment：EGFR Transmembrane-Juxtamembrane segment, UNP residues 642-697
Mutation：M9L (M650 in UNP P00533), M27I (M668 in UNP P00533) Mutation：M9L (M650 in UNP P00533), M27I (M668 in UNP P00533) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.2；312 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 0.300 mM [U-100% 13C; U-100% 15N; U-80% 2H] EGFR TM-JM, 50 mM MES, 5 mM TCEP, 1 mM EDTA, 0.05 mM AMESF, 10 % [U-2H] D2O, 0.02 % sodium azide, 9.4 mM [U-99% 2H] DMPC (D54), 37.98 mM [U-99% 2H] DHPC (D22), 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.300 mM [U-100% 13C; U-100% 15N] EGFR TM-JM, 50 mM MES, 5 mM TCEP, 1 mM EDTA, 0.05 mM AMESF, 10 % [U-2H] D2O, 0.02 % sodium azide, 9.4 mM [U-99% 2H] DMPC (D54), 37.98 mM [U-99% 2H] DHPC (D22), 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.300 mM EGFR TM-JM, 50 mM MES, 5 mM TCEP, 1 mM EDTA, 0.05 mM AMESF, 10 % [U-2H] D2O, 0.02 % sodium azide, 18.8 mM [U-99% 2H] DMPC (D54), 77.86 mM [U-99% 2H] DHPC (D22), 0.300 mM EGFR TM-JM, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2N5S Spatial structure of EGFR transmembrane and juxtamembrane domains in DPC micelles Deposited 2015-07-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 642–690（49 aa） Fragment：residues 642-690
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.8；314 K；Ionic strength (raw mmCIF value) 25；Pressure ambient
NMR sample composition 0.3 mM [U-100% 13C; U-100% 15N] EGFR, 2 mM TCEP, 20 mM sodium phosphate, 1 mM sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2RF9 Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide Deposited 2007-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa） Fragment：Protein kinase domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG3350, 300 mM KAC, 10% Glycerol and 100 mM NaAc, pH 5.0, vapor diffusion, hanging drop, temperature 293K
Resolution 3.50 Å R-free 0.329
2RF9 Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide Deposited 2007-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 696–1022（327 aa） Fragment：Protein kinase domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；20% PEG3350, 300 mM KAC, 10% Glycerol and 100 mM NaAc, pH 5.0, vapor diffusion, hanging drop, temperature 293K
Resolution 3.50 Å R-free 0.329
2RFD Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide Deposited 2007-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 702–1022（321 aa） Fragment：Protein kinase domain
Mutation：K799E SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG3350, 200 mM Na2SO4, 100 mM Bis-Tris propane, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 3.60 Å R-free 0.278
2RFD Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide Deposited 2007-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 702–1022（321 aa） Fragment：Protein kinase domain
Mutation：K799E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG3350, 200 mM Na2SO4, 100 mM Bis-Tris propane, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 3.60 Å R-free 0.278
2RFE Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide Deposited 2007-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 702–1022（321 aa） Fragment：Protein kinase domain
Mutation：K799E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；19% PEG3350, 100 mM NaNO3, 100 mM Bis-Tris propane, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.271
2RFE Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide Deposited 2007-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 702–1022（321 aa） Fragment：Protein kinase domain
Mutation：K799E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；19% PEG3350, 100 mM NaNO3, 100 mM Bis-Tris propane, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.271
2RFE Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide Deposited 2007-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 702–1022（321 aa） Fragment：Protein kinase domain
Mutation：K799E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；19% PEG3350, 100 mM NaNO3, 100 mM Bis-Tris propane, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.271
2RFE Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide Deposited 2007-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 702–1022（321 aa） Fragment：Protein kinase domain
Mutation：K799E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；19% PEG3350, 100 mM NaNO3, 100 mM Bis-Tris propane, pH 7.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.271
2RGP Structure of EGFR in complex with hydrazone, a potent dual inhibitor Deposited 2007-10-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 702–1016（315 aa） Fragment：Residues 702-1016
Not recorded PO4 PHOSPHATE ION × 2 HYZ N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；295 K；2M Na/K3PO4, 0.1M Caps pH 9.0 and 0.2M Li2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.00 Å R-free 0.268
3B2U Crystal structure of isolated domain III of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 Deposited 2007-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 335–538（204 aa） Fragment：sequence database residues 335-538
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；298 K；12 % PEG 3350, 0.25 M ammonium acetate, 50 mM sodium acetate, pH 5.0, vapor diffusion, temperature 298K
Resolution 2.58 Å R-free 0.291
3B2U Crystal structure of isolated domain III of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 Deposited 2007-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 335–538（204 aa） Fragment：sequence database residues 335-538
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；298 K；12 % PEG 3350, 0.25 M ammonium acetate, 50 mM sodium acetate, pH 5.0, vapor diffusion, temperature 298K
Resolution 2.58 Å R-free 0.291
3B2U Crystal structure of isolated domain III of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 Deposited 2007-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 335–538（204 aa） Fragment：sequence database residues 335-538
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；298 K；12 % PEG 3350, 0.25 M ammonium acetate, 50 mM sodium acetate, pH 5.0, vapor diffusion, temperature 298K
Resolution 2.58 Å R-free 0.291
3B2U Crystal structure of isolated domain III of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 Deposited 2007-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 335–538（204 aa） Fragment：sequence database residues 335-538
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；298 K；12 % PEG 3350, 0.25 M ammonium acetate, 50 mM sodium acetate, pH 5.0, vapor diffusion, temperature 298K
Resolution 2.58 Å R-free 0.291
3B2U Crystal structure of isolated domain III of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 Deposited 2007-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain M 335–538（204 aa） Fragment：sequence database residues 335-538
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；298 K；12 % PEG 3350, 0.25 M ammonium acetate, 50 mM sodium acetate, pH 5.0, vapor diffusion, temperature 298K
Resolution 2.58 Å R-free 0.291
3B2U Crystal structure of isolated domain III of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 Deposited 2007-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain P 335–538（204 aa） Fragment：sequence database residues 335-538
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；298 K；12 % PEG 3350, 0.25 M ammonium acetate, 50 mM sodium acetate, pH 5.0, vapor diffusion, temperature 298K
Resolution 2.58 Å R-free 0.291
3B2U Crystal structure of isolated domain III of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 Deposited 2007-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 335–538（204 aa） Fragment：sequence database residues 335-538
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；298 K；12 % PEG 3350, 0.25 M ammonium acetate, 50 mM sodium acetate, pH 5.0, vapor diffusion, temperature 298K
Resolution 2.58 Å R-free 0.291
3B2U Crystal structure of isolated domain III of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 Deposited 2007-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain V 335–538（204 aa） Fragment：sequence database residues 335-538
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5；298 K；12 % PEG 3350, 0.25 M ammonium acetate, 50 mM sodium acetate, pH 5.0, vapor diffusion, temperature 298K
Resolution 2.58 Å R-free 0.291
3B2V Crystal structure of the extracellular region of the epidermal growth factor receptor in complex with the Fab fragment of IMC-11F8 Deposited 2007-10-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–642（618 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；12 % PEG 3350, IM NaCl, 50 mM MES, pH 6.5, vapor diffusion, temperature 298K
Resolution 3.30 Å R-free 0.367
3BEL X-ray structure of EGFR in complex with oxime inhibitor Deposited 2007-11-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 702–1016（315 aa） Fragment：Residues 702-1016
Not recorded PO4 PHOSPHATE ION × 2 POX 4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；295 K；2M Na/K3PO4, 0.1M Caps pH 9.0 and 0.2M Li2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.30 Å R-free 0.281
3BUO Crystal structure of c-Cbl-TKB domain complexed with its binding motif in EGF receptor' Deposited 2008-01-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1063–1075（13 aa） Fragment：UNP residues 1063-1075, pTyr-1069 phosphopeptide
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.25M Na formate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.278
3BUO Crystal structure of c-Cbl-TKB domain complexed with its binding motif in EGF receptor' Deposited 2008-01-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1063–1075（13 aa） Fragment：UNP residues 1063-1075, pTyr-1069 phosphopeptide
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.25M Na formate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.278
3C09 Crystal structure the Fab fragment of matuzumab (Fab72000) in complex with domain III of the extracellular region of EGFR Deposited 2008-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 336–538（203 aa） Fragment：sEGFR domain III
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 BMA beta-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；298 K；16% PEG 3350, 1M NaCl, pH 6.0, vapor diffusion, temperature 298K
Resolution 3.20 Å R-free 0.299
3C09 Crystal structure the Fab fragment of matuzumab (Fab72000) in complex with domain III of the extracellular region of EGFR Deposited 2008-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 336–538（203 aa） Fragment：sEGFR domain III
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；298 K；16% PEG 3350, 1M NaCl, pH 6.0, vapor diffusion, temperature 298K
Resolution 3.20 Å R-free 0.299
3GOP Crystal structure of the EGF receptor juxtamembrane and kinase domains Deposited 2009-03-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 669–1022（354 aa） Fragment：sequence database residues 669-1018
Mutation：K721M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；294 K；10% PEG3350, 0.1M KCl, 0.1M Tris pH8.5, vapor diffusion, temperature 294K
Resolution 2.80 Å R-free 0.259
3GOP Crystal structure of the EGF receptor juxtamembrane and kinase domains Deposited 2009-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 669–1022（354 aa） Fragment：sequence database residues 669-1018
Mutation：K721M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；294 K；10% PEG3350, 0.1M KCl, 0.1M Tris pH8.5, vapor diffusion, temperature 294K
Resolution 2.80 Å R-free 0.259
3GT8 Crystal structure of the inactive EGFR kinase domain in complex with AMP-PNP Deposited 2009-03-27 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 696–1022（327 aa） Fragment：inactive protein kinase (UNP residues 651-977)
Chain C 696–1022（327 aa） Fragment：inactive protein kinase (UNP residues 651-977)
Mutation：V924R Mutation：V924R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；protein at 6mg/ml, 5mM AMP-PNP, 2mM MgCl2, 0.1M Bis-Tris pH5.5, 0.1M ammonium acetate, 17% w/v PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.96 Å R-free 0.275
3GT8 Crystal structure of the inactive EGFR kinase domain in complex with AMP-PNP Deposited 2009-03-27 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa） Fragment：inactive protein kinase (UNP residues 651-977)
Chain D 696–1022（327 aa） Fragment：inactive protein kinase (UNP residues 651-977)
Mutation：V924R Mutation：V924R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；protein at 6mg/ml, 5mM AMP-PNP, 2mM MgCl2, 0.1M Bis-Tris pH5.5, 0.1M ammonium acetate, 17% w/v PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.96 Å R-free 0.275
3IKA Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002 Deposited 2009-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 694–1022（329 aa） Fragment：694-1022
Mutation：T790M 0UN N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.1M Hepes 7.4, 22% PEG6000, 0.3M NaCl, 5mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.90 Å R-free 0.257
3IKA Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002 Deposited 2009-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 694–1022（329 aa） Fragment：694-1022
Mutation：T790M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.1M Hepes 7.4, 22% PEG6000, 0.3M NaCl, 5mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.90 Å R-free 0.257
3IKA Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002 Deposited 2009-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 694–1022（329 aa） Fragment：694-1022
Chain B 694–1022（329 aa） Fragment：694-1022
Mutation：T790M Mutation：T790M 0UN N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.1M Hepes 7.4, 22% PEG6000, 0.3M NaCl, 5mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.90 Å R-free 0.257
3LZB EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor Deposited 2010-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP residues 696-1022
Mutation：V924R ITI N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；290 K；0.15M cesium chloride, 15% w/v polyethylene glycol 3350, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.70 Å R-free 0.257
3LZB EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor Deposited 2010-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 696–1022（327 aa） Fragment：UNP residues 696-1022
Mutation：V924R ITI N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；290 K；0.15M cesium chloride, 15% w/v polyethylene glycol 3350, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.70 Å R-free 0.257
3LZB EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor Deposited 2010-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 696–1022（327 aa） Fragment：UNP residues 696-1022
Mutation：V924R ITI N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；290 K；0.15M cesium chloride, 15% w/v polyethylene glycol 3350, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.70 Å R-free 0.257
3LZB EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor Deposited 2010-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 696–1022（327 aa） Fragment：UNP residues 696-1022
Mutation：V924R ITI N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；290 K；0.15M cesium chloride, 15% w/v polyethylene glycol 3350, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.70 Å R-free 0.257
3LZB EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor Deposited 2010-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 696–1022（327 aa） Fragment：UNP residues 696-1022
Mutation：V924R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；290 K；0.15M cesium chloride, 15% w/v polyethylene glycol 3350, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.70 Å R-free 0.257
3LZB EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor Deposited 2010-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 696–1022（327 aa） Fragment：UNP residues 696-1022
Mutation：V924R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；290 K；0.15M cesium chloride, 15% w/v polyethylene glycol 3350, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.70 Å R-free 0.257
3LZB EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor Deposited 2010-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 696–1022（327 aa） Fragment：UNP residues 696-1022
Mutation：V924R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；290 K；0.15M cesium chloride, 15% w/v polyethylene glycol 3350, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.70 Å R-free 0.257
3LZB EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor Deposited 2010-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 696–1022（327 aa） Fragment：UNP residues 696-1022
Mutation：V924R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.7；290 K；0.15M cesium chloride, 15% w/v polyethylene glycol 3350, pH 7.7, VAPOR DIFFUSION, SITTING DROP, temperature 290K
Resolution 2.70 Å R-free 0.257
3NJP The Extracellular and Transmembrane Domain Interfaces in Epidermal Growth Factor Receptor Signaling Deposited 2010-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 25–638（614 aa）
Chain B 25–638（614 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 12 2PE NONAETHYLENE GLYCOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；15% PEG4000, 1% PEG6000, 75 mM Tris-HCl, 75 mM soidum acetate, and 200 mM NaCl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.30 Å R-free 0.298
3NJP The Extracellular and Transmembrane Domain Interfaces in Epidermal Growth Factor Receptor Signaling Deposited 2010-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 25–638（614 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；15% PEG4000, 1% PEG6000, 75 mM Tris-HCl, 75 mM soidum acetate, and 200 mM NaCl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.30 Å R-free 0.298
3NJP The Extracellular and Transmembrane Domain Interfaces in Epidermal Growth Factor Receptor Signaling Deposited 2010-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 25–638（614 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 2PE NONAETHYLENE GLYCOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；15% PEG4000, 1% PEG6000, 75 mM Tris-HCl, 75 mM soidum acetate, and 200 mM NaCl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.30 Å R-free 0.298
3OB2 Crystal structure of c-Cbl TKB domain in complex with double phosphorylated EGFR peptide Deposited 2010-08-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1063–1074（12 aa） Fragment：residues 1063-1074
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；298 K；20% (w/v) PEG 3350, 150mM NaK tartrate, 0.1 M Bis-Tris propane pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.217
3OP0 Crystal structure of Cbl-c (Cbl-3) TKB domain in complex with EGFR pY1069 peptide Deposited 2010-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1066–1076（11 aa） Fragment：EGFR, UNP residues 1066-1076
Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；277.15 K；20% Jeffamine M-600, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.52 Å R-free 0.266
3OP0 Crystal structure of Cbl-c (Cbl-3) TKB domain in complex with EGFR pY1069 peptide Deposited 2010-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1066–1076（11 aa） Fragment：EGFR, UNP residues 1066-1076
Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；277.15 K；20% Jeffamine M-600, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.52 Å R-free 0.266
3OP0 Crystal structure of Cbl-c (Cbl-3) TKB domain in complex with EGFR pY1069 peptide Deposited 2010-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1066–1076（11 aa） Fragment：EGFR, UNP residues 1066-1076
Chain D 1066–1076（11 aa） Fragment：EGFR, UNP residues 1066-1076
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 2 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；277.15 K；20% Jeffamine M-600, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.52 Å R-free 0.266
3P0Y anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region Deposited 2010-09-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 334–538（205 aa） Fragment：domain III, UNP residues 334-540
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；286 K；potassium phosphate/PEG3350/sodium dextran sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 286K
Resolution 1.80 Å R-free 0.215
3PFV Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide Deposited 2010-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1066–1076（11 aa） Fragment：UNP residues 1066-1076
Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30% PEG 3350, 0.3M Ammonium sulfate, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 2.27 Å R-free 0.262
3PFV Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide Deposited 2010-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1066–1076（11 aa） Fragment：UNP residues 1066-1076
Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 1 SO4 SULFATE ION × 3 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30% PEG 3350, 0.3M Ammonium sulfate, 0.1M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 2.27 Å R-free 0.262
3POZ EGFR Kinase domain complexed with tak-285 Deposited 2010-11-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：Residues 606-1022
Not recorded SO4 SULFATE ION × 3 03P N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；293 K；pH 6.5, hanging drop vapor diffusion, temperature 20K, temperature 293K
Resolution 1.50 Å R-free 0.243
3QWQ Crystal structure of the extracellular domain of the epidermal growth factor receptor in complex with an adnectin Deposited 2011-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–642（642 aa） Fragment：ECTODOMAIN
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；293 K；60% Tacsimate, pH 7.0, vapor diffusion, hanging drop, temperature 293K
Resolution 2.75 Å R-free 0.246
3UG1 Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form Deposited 2011-11-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：KINASE DOMAIN, UNP residues 695-1022
Mutation：G719S, T790M MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 7.1；293 K；COUNTER DIFFUSION IN MICROGRAVITY CONDITIONS; COUNTER-DIFFUSION METHOD USING JAXA CRYSTALLISATION BOX (JCB). 40mm X 0.5mm CAPILLARIES WERE FILLED WITH 8.1mg/ml PROTEIN SOLUTION AND INSTALLED INTO JCB SYRINGE CASE FILLED WITH MOTHER LIQUOUR (1.7M Sodium CITRATE, 0.1M MES, 7.1). CRYSTALS WERE IN ORBIT FOR 2.5 MONTHS IN THE PROTEIN CRYSTALLISATION RESEARCH FACILITY ON THE JAPANESE EXPERIMENT MODULE OF THE INTERNATIONAL SPACE STATION., Counter Diffusion, temperature 293K
Resolution 2.75 Å R-free 0.243
3UG2 Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib Deposited 2011-11-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：KINASE DOMAIN, UNP residues 695-1022
Mutation：G719S, T790M IRE Gefitinib × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；293 K；1.1M Sodium citrate, 0.1M MES PH 7.1, 5mg/ml protein, incubated overnight at 4deg with final concentration of 0.5mM gefitinib and 1% DMSO , VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.249
3VJN Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP. Deposited 2011-10-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain (UNP RESIDUES 695-1022)
Mutation：G719S, T790M ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1M Tris-HCl(pH 7.0), 0.2M NaCl, 1M Sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.34 Å R-free 0.244
3VJO Crystal structure of the wild-type EGFR kinase domain in complex with AMPPNP. Deposited 2011-10-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain (UNP RESIDUES 695-1022)
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1M Tris-HCl(pH 7.0), 0.2M NaCl, 1M Sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.64 Å R-free 0.228
3VRP Crystal structure of the tyrosine kinase binding domain of Cbl-c in complex with phospho-EGFR peptide Deposited 2012-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1062–1074（13 aa） Fragment：phospho-EGFR peptide, UNP residues residues 1062-1074
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% PEG3350, 0.1M ammonium formate, 0.2M NDSB-201, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.52 Å R-free 0.210
3VRR Crystal structure of the tyrosine kinase binding domain of Cbl-c (PL mutant) in complex with phospho-EGFR peptide Deposited 2012-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1062–1074（13 aa） Fragment：phospho-EGFR peptide, UNP residues 1062-1074
Non-standard monomer：Yes (specific site not provided by mmCIF) CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；288 K；16% PEG3350, 0.1M sodium fluoride, 0.6M NDSB-201, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 2.00 Å R-free 0.234
3W2O EGFR Kinase domain T790M/L858R Mutant with TAK-285 Deposited 2012-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 698–1022（325 aa） Fragment：Kinase domain, UNP residues 698-1022
Mutation：T790M/L858R 03P N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Bis-tris propane pH 6.5, 35% Tacsimate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.35 Å R-free 0.216
3W2P EGFR Kinase domain T790M/L858R mutant with compound 2 Deposited 2012-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 698–1022（325 aa） Fragment：Kinase domain, UNP residues 698-1022
Mutation：T790M/L858R W2P N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Bis-tris propane pH 6.5, 35% Tacsimate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.05 Å R-free 0.206
3W2Q EGFR kinase domain T790M/L858R mutant with HKI-272 Deposited 2012-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 698–1022（325 aa） Fragment：Kinase domain, UNP residues 698-1022
Mutation：T790M/L858R HKI N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Bis-tris propane pH 6.5, 35% Tacsimate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.200
3W2R EGFR Kinase domain T790M/L858R mutant with compound 4 Deposited 2012-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 698–1022（325 aa） Fragment：Kinase domain, UNP residues 698-1022
Mutation：T790M/L858R W2R 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M Mes pH 5.5, 24% PEG 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.05 Å R-free 0.275
3W2S EGFR kinase domain with compound4 Deposited 2012-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：Kinase domain, UNP residues 696-1022
Not recorded W2R 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Bis-tris pH 6.5, 0.2M lithium sulfate, 24% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.90 Å R-free 0.258
3W32 EGFR kinase domain complexed with compound 20a Deposited 2012-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：Kinase domain, UNP residues 696-1022
Not recorded W32 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.1M MES, 0.2M lithium sulfate, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.80 Å R-free 0.236
3W33 EGFR kinase domain complexed with compound 19b Deposited 2012-12-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：Kinase domain, UNP residues 696-1022
Not recorded W19 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；0.1M MES, 0.2M lithium sulfate, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.70 Å R-free 0.233
4G5J Crystal structure of EGFR kinase in complex with BIBW2992 Deposited 2012-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1025（330 aa） Fragment：Kinase dimain, UNP residues 696-1022
Not recorded 0WN N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide × 1 0WM (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å R-free 0.259
4G5J Crystal structure of EGFR kinase in complex with BIBW2992 Deposited 2012-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1025（330 aa） Fragment：Kinase dimain, UNP residues 696-1022
Not recorded 0WN N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide × 2 0WM (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å R-free 0.259
4G5P Crystal structure of EGFR kinase T790M in complex with BIBW2992 Deposited 2012-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：Kinase domain, UNP residues 696-1022
Not recorded 0WN N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.17 Å R-free 0.323
4G5P Crystal structure of EGFR kinase T790M in complex with BIBW2992 Deposited 2012-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 696–1022（327 aa） Fragment：Kinase domain, UNP residues 696-1022
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.17 Å R-free 0.323
4G5P Crystal structure of EGFR kinase T790M in complex with BIBW2992 Deposited 2012-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa） Fragment：Kinase domain, UNP residues 696-1022
Chain B 696–1022（327 aa） Fragment：Kinase domain, UNP residues 696-1022
Not recorded 0WN N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.17 Å R-free 0.323
4HJO Crystal structure of the inactive EGFR tyrosine kinase domain with erlotinib Deposited 2012-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：tyrosine kinase domain (UNP residues 696-1022)
Mutation：V924R AQ4 [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；294.15 K；0.25 M sodium thiocyanate, 27% w/v PEG3350, 10 mM taurine, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K
Resolution 2.75 Å R-free 0.253
4I1Z Crystal structure of the monomeric (V948R) form of the gefitinib/erlotinib resistant EGFR kinase domain L858R+T790M Deposited 2012-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022, Kinase domain
Mutation：T790M, L858R, V948R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；2.5-2.8M K Acetate, 0.1M ADA pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 3.00 Å R-free 0.227
4I20 Crystal structure of monomeric (V948R) primary oncogenic mutant L858R EGFR kinase domain Deposited 2012-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022, Kinase domain
Mutation：L858R, V948R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；2.8M Sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 3.34 Å R-free 0.242
4I21 Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide Deposited 2012-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022, EGFR kinase domain
Mutation：L858R, T790M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；14.5% PEG 8,000, 0.1M Na Acetate trihydrate pH 4.8-5.5, 0.2-0.38 M K acetate, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 3.37 Å R-free 0.279
4I21 Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide Deposited 2012-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa） Fragment：UNP residues 695-1022, EGFR kinase domain
Mutation：L858R, T790M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；14.5% PEG 8,000, 0.1M Na Acetate trihydrate pH 4.8-5.5, 0.2-0.38 M K acetate, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 3.37 Å R-free 0.279
4I22 Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib Deposited 2012-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022, EGFR kinase domain
Mutation：T790M, L858R, V948R IRE Gefitinib × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；294 K；25.0% PEG 3350, 0.2 M Li Sulfate, 0.1 M Bis-Tris pH 5.50, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.71 Å R-free 0.224
4I22 Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib Deposited 2012-11-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022, EGFR kinase domain
Mutation：T790M, L858R, V948R IRE Gefitinib × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；294 K；25.0% PEG 3350, 0.2 M Li Sulfate, 0.1 M Bis-Tris pH 5.50, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 1.71 Å R-free 0.224
4I23 Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked) Deposited 2012-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022, EGFR kinase domain
Not recorded 1C9 (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；1.2-1.4 M Na-K Tartrate 0.1 M MES, pH 6.9-7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.80 Å R-free 0.279
4I24 Structure of T790M EGFR kinase domain co-crystallized with dacomitinib Deposited 2012-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022, EGFR kinase domain
Mutation：T790M 1C9 (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.12-0.14 M ammonium acetate, 12-14% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.80 Å R-free 0.239
4I24 Structure of T790M EGFR kinase domain co-crystallized with dacomitinib Deposited 2012-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：UNP residues 695-1022, EGFR kinase domain
Mutation：T790M 1C9 (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.12-0.14 M ammonium acetate, 12-14% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.80 Å R-free 0.239
4I24 Structure of T790M EGFR kinase domain co-crystallized with dacomitinib Deposited 2012-11-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022, EGFR kinase domain
Chain B 695–1022（328 aa） Fragment：UNP residues 695-1022, EGFR kinase domain
Mutation：T790M Mutation：T790M 1C9 (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.12-0.14 M ammonium acetate, 12-14% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.80 Å R-free 0.239
4JQ7 Crystal structure of EGFR kinase domain in complex with compound 2a Deposited 2013-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1021（326 aa） Fragment：tyrosine kinase domain, UNP residues 696-1021
Not recorded KJQ (2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0M Ammonium citrate tribase, 0.1M Bis-Tris propane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.73 Å R-free 0.237
4JQ8 Crystal structure of EGFR kinase domain in complex with compound 4b Deposited 2013-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1021（326 aa） Fragment：tyrosine kinase domain, UNP residues 696-1021
Not recorded KJ8 N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]-N~3~,N~3~-dimethyl-beta-alaninamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0M Ammonium citrate tribase, 0.1M Bis-Tris propane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.83 Å R-free 0.232
4JR3 Crystal structure of EGFR kinase domain in complex with compound 3g Deposited 2013-03-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1021（326 aa） Fragment：EGFR kinase domain, UNP residues 696-1021
Not recorded KJR N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0M Ammonium citrate tribase, 0.1M Bis-Tris propane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.70 Å R-free 0.248
4JRV Crystal structure of EGFR kinase domain in complex with compound 4c Deposited 2013-03-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1021（326 aa） Fragment：EGFR kinase domain, UNP residues 696-1021
Not recorded KJV 4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0M Ammonium citrate tribase, 0.1M Bis-Tris propane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.227
4KRL Nanobody/VHH domain 7D12 in complex with domain III of the extracellular region of EGFR, pH 6.0 Deposited 2013-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 335–538（204 aa） Fragment：extracellular region domain III (UNP residues 335-538)
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 IOD IODIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；22.5% PEG3350, 50 mM potassium iodide, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.85 Å R-free 0.268
4KRM Nanobody/VHH domain 7D12 in complex with domain III of the extracellular region of EGFR, pH 3.5 Deposited 2013-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 335–538（204 aa） Fragment：extracellular region domain III (UNP residues 335-538)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.5；293 K；22.5% PEG3350, 0.1 M sodium citrate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.65 Å R-free 0.244
4KRM Nanobody/VHH domain 7D12 in complex with domain III of the extracellular region of EGFR, pH 3.5 Deposited 2013-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 335–538（204 aa） Fragment：extracellular region domain III (UNP residues 335-538)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.5；293 K；22.5% PEG3350, 0.1 M sodium citrate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.65 Å R-free 0.244
4KRM Nanobody/VHH domain 7D12 in complex with domain III of the extracellular region of EGFR, pH 3.5 Deposited 2013-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 335–538（204 aa） Fragment：extracellular region domain III (UNP residues 335-538)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.5；293 K；22.5% PEG3350, 0.1 M sodium citrate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.65 Å R-free 0.244
4KRM Nanobody/VHH domain 7D12 in complex with domain III of the extracellular region of EGFR, pH 3.5 Deposited 2013-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 335–538（204 aa） Fragment：extracellular region domain III (UNP residues 335-538)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.5；293 K；22.5% PEG3350, 0.1 M sodium citrate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.65 Å R-free 0.244
4KRM Nanobody/VHH domain 7D12 in complex with domain III of the extracellular region of EGFR, pH 3.5 Deposited 2013-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 335–538（204 aa） Fragment：extracellular region domain III (UNP residues 335-538)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.5；293 K；22.5% PEG3350, 0.1 M sodium citrate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.65 Å R-free 0.244
4KRM Nanobody/VHH domain 7D12 in complex with domain III of the extracellular region of EGFR, pH 3.5 Deposited 2013-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain K 335–538（204 aa） Fragment：extracellular region domain III (UNP residues 335-538)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.5；293 K；22.5% PEG3350, 0.1 M sodium citrate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.65 Å R-free 0.244
4KRO Nanobody/VHH domain EgA1 in complex with the extracellular region of EGFR Deposited 2013-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 25–642（618 aa） Fragment：Extracellular region (UNP residues 25-642)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；17.5% PEG3350, 1.5 M sodium chloride, 5% glycerol, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.05 Å R-free 0.280
4KRP Nanobody/VHH domain 9G8 in complex with the extracellular region of EGFR Deposited 2013-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 25–642（618 aa） Fragment：Extracellular region (UNP residues 25-642)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% PEG3350, 0.1 M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.82 Å R-free 0.263
4LI5 EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide Deposited 2013-07-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1020（325 aa） Fragment：KINASE DOMAIN
Not recorded 1WY N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；The protein at 6 mg/ml was crystallized from 0.2 M NH4Cl, 1.2 M Na-K-tartrate buffered with 10mM acetate at pH 4.6 and 0.15M Hepes pH 7.0, VAPOR DIFFUSION, temperature 293K
Resolution 2.64 Å R-free 0.203
4LI5 EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide Deposited 2013-07-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1020（325 aa） Fragment：KINASE DOMAIN
Not recorded 1WY N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；The protein at 6 mg/ml was crystallized from 0.2 M NH4Cl, 1.2 M Na-K-tartrate buffered with 10mM acetate at pH 4.6 and 0.15M Hepes pH 7.0, VAPOR DIFFUSION, temperature 293K
Resolution 2.64 Å R-free 0.203
4LL0 EGFR L858R/T790M in complex with PD168393 Deposited 2013-07-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 694–1022（329 aa） Fragment：EGFR (unp residues 694-1022)
Chain B 694–1022（329 aa） Fragment：EGFR (unp residues 694-1022)
Mutation：L858R, T790M Mutation：L858R, T790M YUN N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；0.1M Bicine, 0.5M NaCl, 18% PEG4000, 5mM TCEP, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 4.00 Å R-free 0.257
4LL0 EGFR L858R/T790M in complex with PD168393 Deposited 2013-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 694–1022（329 aa） Fragment：EGFR (unp residues 694-1022)
Mutation：L858R, T790M YUN N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；0.1M Bicine, 0.5M NaCl, 18% PEG4000, 5mM TCEP, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 4.00 Å R-free 0.257
4LL0 EGFR L858R/T790M in complex with PD168393 Deposited 2013-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 694–1022（329 aa） Fragment：EGFR (unp residues 694-1022)
Mutation：L858R, T790M YUN N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；0.1M Bicine, 0.5M NaCl, 18% PEG4000, 5mM TCEP, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 4.00 Å R-free 0.257
4LQM EGFR L858R in complex with PD168393 Deposited 2013-07-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 694–1022（329 aa） Fragment：Epidermal Growth Factor Receptor 694-1022
Mutation：L858R DJK N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；40% PEG400, 0.15M NACL, 0.1M HEPES 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.228
4LRM EGFR D770_N771insNPG in complex with PD168393 Deposited 2013-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 694–1022（329 aa） Fragment：Epidermal Growth Factor Receptor (unp residues 694-1022)
Not recorded YUN N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris, 2% PEG400, 5mM tris(2-carboxyethyl)-phosphine (TCEP), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.53 Å R-free 0.264
4LRM EGFR D770_N771insNPG in complex with PD168393 Deposited 2013-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 694–1022（329 aa） Fragment：Epidermal Growth Factor Receptor (unp residues 694-1022)
Not recorded YUN N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris, 2% PEG400, 5mM tris(2-carboxyethyl)-phosphine (TCEP), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.53 Å R-free 0.264
4LRM EGFR D770_N771insNPG in complex with PD168393 Deposited 2013-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 694–1022（329 aa） Fragment：Epidermal Growth Factor Receptor (unp residues 694-1022)
Not recorded YUN N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris, 2% PEG400, 5mM tris(2-carboxyethyl)-phosphine (TCEP), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.53 Å R-free 0.264
4LRM EGFR D770_N771insNPG in complex with PD168393 Deposited 2013-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 694–1022（329 aa） Fragment：Epidermal Growth Factor Receptor (unp residues 694-1022)
Not recorded YUN N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris, 2% PEG400, 5mM tris(2-carboxyethyl)-phosphine (TCEP), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.53 Å R-free 0.264
4LRM EGFR D770_N771insNPG in complex with PD168393 Deposited 2013-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 694–1022（329 aa） Fragment：Epidermal Growth Factor Receptor (unp residues 694-1022)
Not recorded YUN N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris, 2% PEG400, 5mM tris(2-carboxyethyl)-phosphine (TCEP), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.53 Å R-free 0.264
4R3P Crystal structures of EGFR in complex with Mig6 Deposited 2014-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 696–1018（323 aa） Fragment：Kinase domain (UNP residues 696-1018)
Mutation：L858R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；40% PEG400, 0.15M Sodium chloride, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.90 Å R-free 0.240
4R3R Crystal structures of EGFR in complex with Mig6 Deposited 2014-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 696–1018（323 aa） Fragment：Kinase domain (UNP residues 696-1018)
Mutation：L858R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；40% PEG400, 0.15M SODIUM CHLORIDE, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.25 Å R-free 0.247
4R5S Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3 Deposited 2014-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：L858R FI3 N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；40% PEG 400, 150mM NaCl, 0.1M HEPES (pH 8.0), 5mM TCEP, 0.1M NDSB-211, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.239
4RIW Crystal structure of an EGFR/HER3 kinase domain heterodimer Deposited 2014-10-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 682–1022（341 aa） Fragment：KINASE DOMAIN, UNP residues 682-1022
Mutation：V924R, F973A, L977A ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；7 mg/mL protein, 0.1M HEPES pH 7.5, 14% PEG-6000, 0.2M magnesium chloride, 2mM AMP-PNP, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 3.10 Å R-free 0.287
4RIW Crystal structure of an EGFR/HER3 kinase domain heterodimer Deposited 2014-10-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 682–1022（341 aa） Fragment：KINASE DOMAIN, UNP residues 682-1022
Mutation：V924R, F973A, L977A ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；7 mg/mL protein, 0.1M HEPES pH 7.5, 14% PEG-6000, 0.2M magnesium chloride, 2mM AMP-PNP, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 3.10 Å R-free 0.287
4RIX Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-Q790R mutation Deposited 2014-10-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 682–1022（341 aa） Fragment：KINASE DOMAIN, UNP residues 682-1022
Mutation：V924R, F973A, L977A ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mg/mL protein, 0.1M HEPES pH 7.5, 15% PEG-5000 MME, 5mM magnesium chloride, 0.5M ammonium acetate, 2mM AMP-PNP, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 3.10 Å R-free 0.258
4RIX Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-Q790R mutation Deposited 2014-10-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 682–1022（341 aa） Fragment：KINASE DOMAIN, UNP residues 682-1022
Mutation：V924R, F973A, L977A ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mg/mL protein, 0.1M HEPES pH 7.5, 15% PEG-5000 MME, 5mM magnesium chloride, 0.5M ammonium acetate, 2mM AMP-PNP, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 3.10 Å R-free 0.258
4RIY Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-E909G mutation Deposited 2014-10-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 682–1022（341 aa） Fragment：KINASE DOMAIN, UNP residues 682-1022
Mutation：V924R, F973A, L977A ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mg/mL protein, 0.1M HEPES pH 7.5, 15% PEG-5000 MME, 5mM magnesium chloride, 0.5M ammonium acetate, 2mM AMP-PNP, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.98 Å R-free 0.267
4RIY Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-E909G mutation Deposited 2014-10-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 682–1022（341 aa） Fragment：KINASE DOMAIN, UNP residues 682-1022
Mutation：V924R, F973A, L977A ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10 mg/mL protein, 0.1M HEPES pH 7.5, 15% PEG-5000 MME, 5mM magnesium chloride, 0.5M ammonium acetate, 2mM AMP-PNP, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.98 Å R-free 0.267
4RJ4 EGFR kinase (T790M/L858R) with inhibitor compound 6 Deposited 2014-10-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A 3QW N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；PEG 10,000, ethyene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.78 Å R-free 0.226
4RJ5 EGFR kinase (T790M/L858R) with inhibitor compound 5 Deposited 2014-10-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain (UNP residues 695-1022)
Mutation：T790M, L858R, E865A, E866A, K867A 3QY N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；PEG 10,000, ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 3.10 Å R-free 0.229
4RJ6 EGFR kinase (T790M/L858R) with inhibitor compound 4 Deposited 2014-10-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain (UNP residues 695-1022)
Mutation：T790M, L858R, E865A, E866A, K867A SO4 SULFATE ION × 1 3R0 N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；PEG 10,000, ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.70 Å R-free 0.245
4RJ7 EGFR kinase (T790M/L858R) with inhibitor compound 1 Deposited 2014-10-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain (UNP residues 695-1022)
Mutation：T790M, L858R, E865A, E866A, K867A SO4 SULFATE ION × 1 3R1 2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；PEG 10,000, ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.55 Å R-free 0.234
4RJ8 EGFR kinase (T790M/L858R) with inhibitor compound 8 Deposited 2014-10-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain (UNP residues 695-1022)
Mutation：T790M, L858R, E865A, E866A, K867A SO4 SULFATE ION × 1 3QS 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；PEG 10,000, ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.50 Å R-free 0.226
4TKS Native-SAD phasing for human EGFR kinase domain. Deposited 2014-05-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.0 M sodium/potassium tartrate, 100 mM MES, pH 7.0
Resolution 3.20 Å R-free 0.209
4UIP The complex structure of extracellular domain of EGFR with Repebody (rAC1). Deposited 2015-03-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 26–637（612 aa） Fragment：RESIDUES 26-637
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.95 Å R-free 0.297
4UV7 The complex structure of extracellular domain of EGFR and GC1118A Deposited 2014-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–645（621 aa） Fragment：EXTRACELLULAR DOMAIN, UNP RESIDUES 25-645
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.248
4WD5 Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 Deposited 2014-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 694–1022（329 aa） Fragment：UNP residues 694-1022
Mutation：T790M 3LH N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Hepes (pH 7.5), 21% PEG6000, 0.3 M NaCl, and 5 mM tris(2-carboxyethyl)- phosphine (TCEP)
Resolution 3.30 Å R-free 0.239
4WD5 Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 Deposited 2014-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 694–1022（329 aa） Fragment：UNP residues 694-1022
Mutation：T790M CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Hepes (pH 7.5), 21% PEG6000, 0.3 M NaCl, and 5 mM tris(2-carboxyethyl)- phosphine (TCEP)
Resolution 3.30 Å R-free 0.239
4WD5 Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 Deposited 2014-09-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 694–1022（329 aa） Fragment：UNP residues 694-1022
Chain B 694–1022（329 aa） Fragment：UNP residues 694-1022
Mutation：T790M Mutation：T790M 3LH N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Hepes (pH 7.5), 21% PEG6000, 0.3 M NaCl, and 5 mM tris(2-carboxyethyl)- phosphine (TCEP)
Resolution 3.30 Å R-free 0.239
4WKQ 1.85 angstrom structure of EGFR kinase domain with gefitinib Deposited 2014-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：unp residues 696-1022
Non-standard monomer：Yes (specific site not provided by mmCIF) IRE Gefitinib × 1 NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1 M MES, pH 7.0, 1 M sodium citrate
Resolution 1.85 Å R-free 0.225
4WRG 1.9 angstrom structure of EGFR kinase domain Deposited 2014-10-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1 M MES, 1 M sodium citrate
Resolution 1.90 Å R-free 0.212
4ZAU AZD9291 complex with wild type EGFR Deposited 2015-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：unp residues 696-1022
Not recorded YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1 M MES, 1 M sodium citrate
Resolution 2.80 Å R-free 0.244
4ZJV crystal structure of EGFR kinase domain in complex with Mitogen-inducible gene 6 protein Deposited 2015-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：Kinase domain (UNP residues 695-1022)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris 0.2 M Ammonium acetate 25% PEG3350
Resolution 2.70 Å R-free 0.232
4ZJV crystal structure of EGFR kinase domain in complex with Mitogen-inducible gene 6 protein Deposited 2015-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa） Fragment：Kinase domain (UNP residues 695-1022)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris 0.2 M Ammonium acetate 25% PEG3350
Resolution 2.70 Å R-free 0.232
5C8K EGFR kinase domain mutant "TMLR" with compound 1 Deposited 2015-06-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A 4YV 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, ethylene glycol
Resolution 3.00 Å R-free 0.251
5C8M EGFR kinase domain mutant "TMLR" with compound 17 Deposited 2015-06-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M,L858R,E865A,E866A,K867A 4YW 2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, ethylene glycol
Resolution 2.90 Å R-free 0.252
5C8N EGFR kinase domain mutant "TMLR" with compound 23 Deposited 2015-06-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A SO4 SULFATE ION × 1 4YX N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, ethylene glycol
Resolution 2.40 Å R-free 0.258
5CAL EGFR kinase domain mutant "TMLR" with compound 24 Deposited 2015-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A 4Z8 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, ethylene glycol
Resolution 2.70 Å R-free 0.227
5CAN EGFR kinase domain mutant "TMLR" with compound 27 Deposited 2015-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M,L858R,E865A,E866A,K867A SO4 SULFATE ION × 1 4ZB (3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, ethylene glycol
Resolution 2.80 Å R-free 0.232
5CAO EGFR kinase domain mutant "TMLR" with compound 29 Deposited 2015-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A 4ZG N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, ethlyene glycol
Resolution 2.60 Å R-free 0.231
5CAP EGFR kinase domain mutant "TMLR" with compound 30 Deposited 2015-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A SO4 SULFATE ION × 2 4ZH 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, ethylene glycol
Resolution 2.40 Å R-free 0.213
5CAQ EGFR kinase domain mutant "TMLR" with compound 33 Deposited 2015-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A SO4 SULFATE ION × 1 4ZJ N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, erthylene glycol
Resolution 2.50 Å R-free 0.224
5CAS EGFR kinase domain mutant "TMLR" with compound 41a Deposited 2015-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A SO4 SULFATE ION × 1 4ZQ (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, ethylene glycol
Resolution 2.10 Å R-free 0.209
5CAU EGFR kinase domain mutant "TMLR" with compound 41b Deposited 2015-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A SO4 SULFATE ION × 1 4ZR (1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10000, ethylene glycol
Resolution 2.25 Å R-free 0.211
5CAV EGFR kinase domain with compound 41a Deposited 2015-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 4ZQ (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；sodium/potassium tartrate
Resolution 2.73 Å R-free 0.231
5CNN Crystal structure of the EGFR kinase domain mutant I682Q Deposited 2015-07-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1042（347 aa） Fragment：kinase domain (UNP residues 696-1042)
Mutation：I682Q ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；PEG 6000, morpholineethanesulfonic acid, ammonium chloride
Resolution 1.90 Å R-free 0.211
5CNN Crystal structure of the EGFR kinase domain mutant I682Q Deposited 2015-07-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 696–1042（347 aa） Fragment：kinase domain (UNP residues 696-1042)
Mutation：I682Q ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；PEG 6000, morpholineethanesulfonic acid, ammonium chloride
Resolution 1.90 Å R-free 0.211
5CNO Crystal structure of the EGFR kinase domain mutant V924R Deposited 2015-07-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Mutation：V924R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium nitrate, PEG 3350
Resolution 1.55 Å R-free 0.203
5CNO Crystal structure of the EGFR kinase domain mutant V924R Deposited 2015-07-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Mutation：V924R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium nitrate, PEG 3350
Resolution 1.55 Å R-free 0.203
5CNO Crystal structure of the EGFR kinase domain mutant V924R Deposited 2015-07-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Mutation：V924R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium nitrate, PEG 3350
Resolution 1.55 Å R-free 0.203
5CZH EGFR L858R MUTANT IN COMPLEX WITH AN OPTIMAL PEPTIDE SUBSTRATE Deposited 2015-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 694–1022（329 aa） Fragment：EGFR UNP RESIDUES 694-1022
Mutation：L858R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；293 K；0.1M HEPES 7.6, 0.15M NACL, 40% PEG400, 5MM TCEP, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
Resolution 2.80 Å R-free 0.220
5CZI EGFR L858R MUTANT IN COMPLEX WITH A SHC PEPTIDE SUBSTRATE Deposited 2015-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 694–1022（329 aa） Fragment：EGFR UNP RESIDUES 694-1022
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；293 K；0.1M HEPES 7.6, 0.15M NACL, 40% PEG400, 5MM TCEP, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
Resolution 2.60 Å R-free 0.225
5D41 EGFR kinase domain in complex with mutant selective allosteric inhibitor Deposited 2015-08-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 693–1022（330 aa）
Chain B 693–1022（330 aa）
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 57N (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；Bis-Tris, PEG3350
Resolution 2.31 Å R-free 0.207
5EDP EGFR kinase (T790M/L858R) apo Deposited 2015-10-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.90 Å R-free 0.244
5EDQ EGFR kinase (T790M/L858R) with inhibitor compound 15: ~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine Deposited 2015-10-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A 5N3 ~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.80 Å R-free 0.241
5EDR EGFR kinase (T790M/L858R) with inhibitor compound 27: ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine Deposited 2015-10-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A 5N4 ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.60 Å R-free 0.215
5EM5 EGFR kinase domain mutant "TMLR" with pyridone compound 2: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide Deposited 2015-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A 5Q2 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.65 Å R-free 0.223
5EM6 EGFR kinase domain mutant "TMLR" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide Deposited 2015-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M,L858R,E865A,E866A,K867A SO4 SULFATE ION × 1 5Q3 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.78 Å R-free 0.229
5EM7 EGFR kinase domain mutant "TMLR" with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide Deposited 2015-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M,L858R,E865A,E866A,K867A SO4 SULFATE ION × 1 5Q4 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.81 Å R-free 0.216
5EM8 EGFR kinase domain with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide Deposited 2015-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 5Q4 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；sodium/potassium tartrate
Resolution 2.80 Å R-free 0.229
5FED EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. Deposited 2015-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded 5X4 ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；1.35M potassium sodium tartrate, 0.1M HEPES pH 7.9
Resolution 2.65 Å R-free 0.217
5FEE EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. Deposited 2015-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M 5X4 ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；1.2M potassium sodium tartrate, 0.1M HEPES pH 7.5
Resolution 2.70 Å R-free 0.229
5FEQ EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE Deposited 2015-12-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M 5XH ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.25；294 K；100mM HEPES pH 7.25, 0.20M Lithium Sulphate, 32% PEG-3350
Resolution 3.40 Å R-free 0.222
5GMP Crystal structure of EGFR 696-1022 T790M in complex with XTF-262 Deposited 2016-07-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Not recorded F62 N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；150mM KCl, 0.1M HEPES (pH 8.0), 38% PEG 300, 50mM Glycyl-glycyl-glycine, 10mM Co-enzyme A (pH 8.0), 2mM TCEP
Resolution 2.80 Å R-free 0.241
5GNK Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 Deposited 2016-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–988（293 aa） Fragment：UNP RESIDUES 696-988
Mutation：T790M 80U 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one × 1 NO3 NITRATE ION × 11 EDO 1,2-ETHANEDIOL × 19 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；4.8M NaNO3 ,0.1M B-Tris propone pH 6.5, 5mM TCEP
Resolution 1.80 Å R-free 0.177
5GTY Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 Deposited 2016-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain C 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain E 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain H 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Not recorded 816 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one × 4 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.05M CaCl2, 0.1M B-Tris pH 6.2, 24% PEG 550MME, 5mM TCEP
Resolution 3.14 Å R-free 0.280
5GTY Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 Deposited 2016-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain B 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain D 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain F 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain G 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Not recorded 816 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one × 4 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.05M CaCl2, 0.1M B-Tris pH 6.2, 24% PEG 550MME, 5mM TCEP
Resolution 3.14 Å R-free 0.280
5GTZ Crystal structure of EGFR 696-1022 T790M in complex with JTS-1-39 Deposited 2016-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Not recorded 81C N-[5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxy-phenyl]prop-2-enamide × 1 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；150 mM KCl, 0.1 M HEPES pH 8.0, 38% PEG 300, 50mM Glycyl-glycyl-glycine, 10 mM Co-enzyme A (pH 8.0), 2 mM TCEP
Resolution 3.00 Å R-free 0.230
5HCX EGFR kinase domain mutant "TMLR" with azabenzimidazole compound 7 Deposited 2016-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M,L858R,A865E, A866E, A867K SO4 SULFATE ION × 1 60B ~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.60 Å R-free 0.223
5HCY EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13 Deposited 2016-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M,L858R,E865A,E866A,K867A SO4 SULFATE ION × 1 60D 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.46 Å R-free 0.221
5HCZ EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21 Deposited 2016-01-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M,L858R,E865A,E866A,K867A SO4 SULFATE ION × 1 60E 2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.62 Å R-free 0.227
5HG5 EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide Deposited 2016-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Mutation：L858R, T790M, V948R 633 N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；286 K；0.1 M (5.0 uL of stock 1.0 M) Sodium acetate trihydrate (pH 7.50), 20.0 %w/v (20.0 uL of stock 50.0 %w/v) PEG 8000, 10.0 %v/v (5.0 uL of stock 100.0 %v/v) iso-propanol, 0.2 M (2.8571428571 uL of stock 3.5 M) Ammonium sulfate
Resolution 1.52 Å R-free 0.224
5HG7 EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988) Deposited 2016-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Mutation：L858R, T790M, V948R 630 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；286 K；0.1 M (5.0 uL of stock 1.0 M) HEPES (pH 7.50), 0.2 M (2.5 uL of stock 4.0 M) Ammonium sulfate, 10.0 %v/v (5.0 uL of stock 100.0 %v/v) iso-propanol, 20.0 %w/v (20.0 uL of stock 50.0 %w/v) PEG 8000
Resolution 1.85 Å R-free 0.246
5HG8 EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide Deposited 2016-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Mutation：L858R, T790M, V948R 634 N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；286 K；0.1 M (5.0 uL of stock 1.0 M) HEPES (pH 7.50), 0.2 M (2.8571428571 uL of stock 3.5 M) Ammonium sulfate, 20.0 %w/v (20.0 uL of stock 50.0 %w/v) PEG 8000, 10.0 %v/v (5.0 uL of stock 100.0 %v/v) iso-propanol
Resolution 1.42 Å R-free 0.213
5HG9 EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one Deposited 2016-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Mutation：L858R, T790M, V948R 63A 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrr olidin-1-yl]propan-1-one × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；286 K；0.2 M (2.5 uL of stock 4.0 M) Ammonium sulfate, 20.0 %w/v (20.0 uL of stock 50.0 %w/v) PEG 8000, 0.1 M (5.0 uL of stock 1.0 M) HEPES (pH 7.50), 10.4545454545 %v/v (5.2272727272 uL of stock 100.0 %v/v) iso-propanol
Resolution 2.15 Å R-free 0.241
5HIB EGFR kinase domain mutant "TMLR" with a pyrazolopyrimidine inhibitor Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M,L858R,E865A,E866A,K867A 63M N-tert-butyl-5-{[(1-methyl-1H-pyrazol-5-yl)sulfonyl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.85 Å R-free 0.239
5HIC EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M,L858R,E865A,E866A,K867A SO4 SULFATE ION × 1 63N N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；PEG 10K, ethylene glycol
Resolution 2.60 Å R-free 0.233
5J9Y EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b Deposited 2016-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 697–1019（323 aa）
Not recorded 6HL (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM MES, 900 mM - 1100 mM Na/K-tartrate
Resolution 2.80 Å R-free 0.237
5J9Z EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a Deposited 2016-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1020（325 aa）
Not recorded 6HJ (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM MES, 900 mM - 1100 mM Na/K-tartrate
Resolution 2.50 Å R-free 0.239
5JEB Crystal structure of EGFR tyrosine kinase domain with novel inhibitor of active state of HER2 Deposited 2016-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP residues 696-1022
Mutation：V924R SO4 SULFATE ION × 2 6JS 3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；294.15 K；1.34M Ammonium sulfate, 1.34% (v/v) PEG 400, and 0.1M sodium acetate/acetic acid
Resolution 3.30 Å R-free 0.270
5LV6 N-terminal motif dimerization of EGFR transmembrane domain in bicellar environment Deposited 2016-09-12 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 634–677（44 aa）
Chain B 634–677（44 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.8；313 K；Ionic strength (raw mmCIF value) 50；Pressure AMBIENT
NMR sample composition 0.01 % sodium azide, 50 mM phosphate buffer pH 5.8, 5 mM TCEP, 30 mM U-2H DHPC, 10 mM U-2H DMPC, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
5SX4 Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3. Deposited 2016-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain M 335–525（191 aa） Fragment：UNP residues 335-525
Not recorded SO4 SULFATE ION × 3 GOL GLYCEROL × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.0 M AmSO4, 100 mM MES 6.5 and 5% peg 400
Resolution 2.80 Å R-free 0.266
5SX4 Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3. Deposited 2016-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 335–525（191 aa） Fragment：UNP residues 335-525
Not recorded SO4 SULFATE ION × 5 1PE PENTAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.0 M AmSO4, 100 mM MES 6.5 and 5% peg 400
Resolution 2.80 Å R-free 0.266
5SX5 Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3 mutant S468R. Deposited 2016-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain M 335–525（191 aa） Fragment：UNP residues 335-528
Not recorded SO4 SULFATE ION × 3 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 2 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.0 M AmSO4, 100 mM MES 6.5 and 5% peg 400
Resolution 2.50 Å R-free 0.250
5SX5 Crystal Structure of panitumumab in complex with epidermal growth factor receptor domain 3 mutant S468R. Deposited 2016-08-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 335–525（191 aa） Fragment：UNP residues 335-528
Not recorded SO4 SULFATE ION × 9 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 1PE PENTAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.0 M AmSO4, 100 mM MES 6.5 and 5% peg 400
Resolution 2.50 Å R-free 0.250
5U8L Crystal structure of EGFR kinase domain in complex with a sulfonyl fluoride probe XO44 Deposited 2016-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Not recorded O44 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Salt: 0.2 M Ammonium sulfate Buffer: 0.1 M HEPES (pH 7.50) Precipitant: 20.0 %w/v PEG 8000 Precipitant: 5.7 %v/v iso-propanol
Resolution 1.60 Å R-free 0.202
5UG8 Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide Deposited 2017-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Not recorded 8BP N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；286 K；Salt: 0.2 M Ammonium sulfate Precipitant: 11.4 %w/v PEG 8000 Buffer: 0.1 M HEPES (pH 7.50) Precipitant: 10.0 %v/v iso-propanol
Resolution 1.46 Å R-free 0.207
5UG9 Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide Deposited 2017-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Mutation：L858R, T790M, V948R 8AM N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；Salt: 0.2 M Ammonium sulfate Precipitant: 14.1 %w/v PEG 8000 Buffer: 0.1 M HEPES (pH 7.50) Precipitant: 10.0 %v/v iso-propanol
Resolution 1.33 Å R-free 0.205
5UGA Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium Deposited 2017-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Mutation：L858R, T790M, V948R 8BM 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；Salt: 0.2 M Ammonium sulfate Precipitant: 20.0 %w/v PEG 8000 Buffer: 0.1 M HEPES (pH 7.50) Precipitant: 13.6 %v/v iso-propanol
Resolution 1.82 Å R-free 0.264
5UGB Crystal structure of the EGFR kinase domain in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium Deposited 2017-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Not recorded 8BM 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；Buffer: 0.1 M MES (pH 6.90) Salt: 1.2 M Potassium sodium tartrate tetrahydrate
Resolution 2.53 Å R-free 0.251
5UGC Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide Deposited 2017-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Mutation：L858R, T790M, V948R 8BS N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；Salt: 0.2 M Ammonium sulfate Precipitant: 19.5 %w/v PEG 8000 Buffer: 0.1 M HEPES (pH 7.50) Precipitant: 10.0 %v/v iso-propanol
Resolution 1.58 Å R-free 0.223
5UWD Crystal structure of EGFR kinase domain (L858R, T790M, V948R) in complex with the covalent inhibitor CO-1686 Deposited 2017-02-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Mutation：L858R, T790M, V948R 8OV N-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；286 K；0.1 M Tris (pH 8.50), 0.1 M potassium sulfate, 22.7 %w/v PEG 4000
Resolution 3.06 Å R-free 0.280
5WB7 Crystal structure of the epidermal growth factor receptor extracellular region in complex with epiregulin Deposited 2017-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 25–525（501 aa）
Chain D 25–525（501 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；294 K；0.03 M citric acid, 0.07 M Bis-Tris propane, 16% PEG3350
Resolution 2.94 Å R-free 0.268
5WB7 Crystal structure of the epidermal growth factor receptor extracellular region in complex with epiregulin Deposited 2017-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 25–525（501 aa）
Chain C 25–525（501 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；294 K；0.03 M citric acid, 0.07 M Bis-Tris propane, 16% PEG3350
Resolution 2.94 Å R-free 0.268
5WB8 Crystal structure of the epidermal growth factor receptor extracellular region in complex with epigen Deposited 2017-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 25–525（501 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；0.1 magnesium formate, 15% PEG3350
Resolution 3.00 Å R-free 0.312
5WB8 Crystal structure of the epidermal growth factor receptor extracellular region in complex with epigen Deposited 2017-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 25–525（501 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；0.1 magnesium formate, 15% PEG3350
Resolution 3.00 Å R-free 0.312
5X26 Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3) Deposited 2017-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：L858R 7XO N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Hepes pH7.8, 40% PEG400, 0.15M NaCl, 5mM tris(2-carboxyethyl)-phosphine (TCEP)
Resolution 2.95 Å R-free 0.222
5X27 Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5) Deposited 2017-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：L858R 7XR 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.1M Hepes pH 7.8, 40% PEG 400, 0.15M NaCl, 5mM tris(2-carboxyethyl)-phosphine (TCEP)
Resolution 2.95 Å R-free 0.238
5X28 Crystal structure of EGFR 696-1022 L858R in complex with SKLB(6) Deposited 2017-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：L858R 7XU 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Hepes pH7.8, 40% PEG400, 0.15M NaCl, 5mM tris(2-carboxyethyl)-phosphine (TCEP)
Resolution 2.95 Å R-free 0.250
5X2A Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(3) Deposited 2017-01-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain D 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M, V948R Mutation：T790M, V948R CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 5 7XO N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Bis-Tris 5.0, 22.5% PEG 3350, 5mM TCEP
Resolution 1.85 Å R-free 0.219
5X2A Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(3) Deposited 2017-01-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain C 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M, V948R Mutation：T790M, V948R EDO 1,2-ETHANEDIOL × 7 7XO N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Bis-Tris 5.0, 22.5% PEG 3350, 5mM TCEP
Resolution 1.85 Å R-free 0.219
5X2C Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(5) Deposited 2017-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M, V948R EDO 1,2-ETHANEDIOL × 3 7XR 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Bis-Tris 5.0, 22.5% PEG 3350, 5mM TCEP
Resolution 2.05 Å R-free 0.202
5X2C Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(5) Deposited 2017-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M, V948R EDO 1,2-ETHANEDIOL × 7 7XR 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Bis-Tris 5.0, 22.5% PEG 3350, 5mM TCEP
Resolution 2.05 Å R-free 0.202
5X2F Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(6) Deposited 2017-01-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain D 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M, V948R Mutation：T790M, V948R 7XU 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Bis-Tris 5.0, 22.5% PEG 3350, 5mM TCEP
Resolution 2.20 Å R-free 0.240
5X2F Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(6) Deposited 2017-01-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain C 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M, V948R Mutation：T790M, V948R 7XU 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Bis-Tris 5.0, 22.5% PEG 3350, 5mM TCEP
Resolution 2.20 Å R-free 0.240
5X2K Crystal structure of EGFR 696-1022 T790M in complex with WZ4003 Deposited 2017-02-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M 0UN N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M Glycine pH 8.0, 38% PEG 300, 0.1M NaCl, 5mM tris(2-carboxyethyl)-phosphine (TCEP)
Resolution 3.20 Å R-free 0.244
5XDK Crystal structure of EGFR 696-1022 T790M in complex with CO-1686 Deposited 2017-03-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M 8JC N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.07 M HEPES pH7.5, 0.9 M tri-sodium citrate, 5 mM TCEP.
Resolution 2.35 Å R-free 0.248
5XDL Crystal structure of EGFR 696-1022 L858R in complex with CO-1686 Deposited 2017-03-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：L858R 8JC N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.1 M HEPES pH 7.8, 40% PEG 400, 0.15 M NaCl, 5 mM tris(2-carboxyethyl)-phosphine (TCEP)
Resolution 2.70 Å R-free 0.256
5XGM Crystal structure of EGFR 696-1022 T790M in complex with Go6976 Deposited 2017-04-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M 85X 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；293 K；0.1M NaCl,0.05M Glycine pH 9.5, 39% PEG 300
Resolution 2.95 Å R-free 0.232
5XGN Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976 Deposited 2017-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Chain B 696–1022（327 aa） Fragment：UNP RESIDUES 696-1022
Mutation：T790M, C797S Mutation：T790M, C797S 85X 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M NaCl, 0.1M Hepes pH7.5, 22% PEG 4000
Resolution 3.00 Å R-free 0.251
5XWD Crystal structure of the complex of 059-152-Fv and EGFR-ECD Deposited 2017-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–643（643 aa） Fragment：UNP residues 1-643
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 ZN ZINC ION × 20 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；MES buffer (pH 6.0), zinc acetate, PEG8000
Resolution 2.89 Å R-free 0.331
5Y25 EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 Deposited 2017-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 698–1022（325 aa） Fragment：Kinase domain, UNP residues 698-1022
Mutation：T790M, L858R 8LU (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100mM HEPES pH7.5, 10% PEG 10000, 8% ethylene glycol
Resolution 3.10 Å R-free 0.246
5Y9T Crystal Structure of EGFR T790M mutant in complex with naquotinib Deposited 2017-08-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：UNP residues 695-1022
Mutation：T790M 8RC 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Hepes-Na 7.0-7.5, 1.3-1.5M potassium sodium tartrate
Resolution 3.25 Å R-free 0.240
5YU9 Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib Deposited 2017-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M 1E8 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.1 M sodium citrate (pH 5.0), 12% PEG 10000, 3% dioxane, 5 mM TCEP
Resolution 1.95 Å R-free 0.222
5YU9 Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib Deposited 2017-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 696–1022（327 aa）
Mutation：T790M 1E8 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.1 M sodium citrate (pH 5.0), 12% PEG 10000, 3% dioxane, 5 mM TCEP
Resolution 1.95 Å R-free 0.222
5YU9 Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib Deposited 2017-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 696–1022（327 aa）
Mutation：T790M 1E8 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.1 M sodium citrate (pH 5.0), 12% PEG 10000, 3% dioxane, 5 mM TCEP
Resolution 1.95 Å R-free 0.222
5YU9 Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib Deposited 2017-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 696–1022（327 aa）
Mutation：T790M 1E8 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.1 M sodium citrate (pH 5.0), 12% PEG 10000, 3% dioxane, 5 mM TCEP
Resolution 1.95 Å R-free 0.222
5ZTO Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003 Deposited 2018-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M, C797S 9JO N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.05M HEPES pH 8.0, 0.2M ZnSO4, 25% PEG 600
Resolution 2.65 Å R-free 0.272
5ZWJ Crystal structure of EGFR 675-1022 T790M/C797S/V948R in complex with EAI045 Deposited 2018-05-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 675–1022（348 aa）
Mutation：T790M, C797S, V948R 9LL (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；26% PEG 4000, 0.1 M KCl, 0.05 M Tris pH 7.5-8.0
Resolution 2.90 Å R-free 0.272
6ARU Structure of Cetuximab Fab mutant in complex with EGFR extracellular domain Deposited 2017-08-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–640（616 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；150 mM ammonium sulfate, 16.5% PEG3350, 10 mM cadmium chloride, 100 mM imidazole, 5% glycerol
Resolution 3.20 Å R-free 0.267
6B3S Crystal structure of the Fab fragment of necitumumab (Fab11F8) in complex with domain III from a cetuximab resistant variant of EGFR (sEGFRd3-S468R) Deposited 2017-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 335–538（204 aa）
Mutation：S468R NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；50 mM sodium acetate, 200 mM potassium citrate, 15-20% PEG3350
Resolution 2.80 Å R-free 0.245
6B3S Crystal structure of the Fab fragment of necitumumab (Fab11F8) in complex with domain III from a cetuximab resistant variant of EGFR (sEGFRd3-S468R) Deposited 2017-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 335–538（204 aa）
Mutation：S468R NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；50 mM sodium acetate, 200 mM potassium citrate, 15-20% PEG3350
Resolution 2.80 Å R-free 0.245
6B3S Crystal structure of the Fab fragment of necitumumab (Fab11F8) in complex with domain III from a cetuximab resistant variant of EGFR (sEGFRd3-S468R) Deposited 2017-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 335–538（204 aa）
Mutation：S468R NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；50 mM sodium acetate, 200 mM potassium citrate, 15-20% PEG3350
Resolution 2.80 Å R-free 0.245
6B3S Crystal structure of the Fab fragment of necitumumab (Fab11F8) in complex with domain III from a cetuximab resistant variant of EGFR (sEGFRd3-S468R) Deposited 2017-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 335–538（204 aa）
Mutation：S468R NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；50 mM sodium acetate, 200 mM potassium citrate, 15-20% PEG3350
Resolution 2.80 Å R-free 0.245
6D8E Discovery of a Highly Potent and Broadly Effective EGFR and HER2 Exon 20 Insertion Mutant Inhibitor Deposited 2018-04-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded FZP (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M MES(pH 6.5), 1.0 M sodium citrate
Resolution 2.54 Å R-free 0.243
6DUK EGFR with an allosteric inhibitor Deposited 2018-06-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa）
Chain B 695–1022（328 aa）
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 JBJ (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris, 22% PEG3350, 150 mM NaCl
Resolution 2.20 Å R-free 0.223
6DUK EGFR with an allosteric inhibitor Deposited 2018-06-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 695–1022（328 aa）
Chain D 695–1022（328 aa）
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 JBJ (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris, 22% PEG3350, 150 mM NaCl
Resolution 2.20 Å R-free 0.223
6DUK EGFR with an allosteric inhibitor Deposited 2018-06-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 695–1022（328 aa）
Chain F 695–1022（328 aa）
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 JBJ (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris, 22% PEG3350, 150 mM NaCl
Resolution 2.20 Å R-free 0.223
6JRJ The structure of co-crystals of 8r-B-EGFR T790M/C797S complex Deposited 2019-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M,C797S, E865A, E866A, K867A C6O 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.1 M HEPES pH 8.5, 40% PEG 400, 0.15 M NaCl, 5 mM tris(2-carboxyethyl)-phosphine (TCEP)
Resolution 2.94 Å R-free 0.246
6JRK The structure of co-crystals of 8r-B-EGFR WT complex Deposited 2019-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：E865A, E,866A, K867A C6O 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；38% PEG 300, 150 mM KCl, 0.1 M HEPES (pH 8.0), 50 mM Gly3, 5 mM Co-enzyme A (pH 8.0), 2 mM TCEP
Resolution 2.80 Å R-free 0.236
6JRX EGFR T790M/C797S in complex with compound 6i Deposited 2019-04-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M, C797S 9JO N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M HEPES pH8.5, 40% PEG400, 0.15 M NaCl, 5 mM tris(2-carboxyethyl)-phosphine (TCEP)
Resolution 2.20 Å R-free 0.239
6JWL Crystal structure of EGFR 696-1022 L858R in complex with AZD9291 Deposited 2019-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：L858R YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.1M HEPES pH 7.8, 40% PEG 400, 0.15M NaCl, 5mM TCEP
Resolution 2.55 Å R-free 0.242
6JX0 Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization Deposited 2019-04-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 3 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.3 M Ammonium tartrate dibasic, 0.1 M BIS-TRIS propane pH 7.0
Resolution 2.53 Å R-free 0.222
6JX4 Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by soaking Deposited 2019-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；38% PEG 300, 150 mM KCl, 0.1 M HEPES (pH 8.0), 50mM Glycyl-glycyl-glycine, 5 mM Co-enzyme A (pH 8.0), 2 mM TCEP.
Resolution 2.53 Å R-free 0.245
6JXT Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization Deposited 2019-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：E865A, E866A, K867A YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M Potassium sodium tartrate tetrahydrate, 20% w/v Polyethylene glycol 3350
Resolution 2.31 Å R-free 0.239
6JZ0 Crystal structure of EGFR kinase domain in complex with compound 78 Deposited 2019-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1021（326 aa） Fragment：UNP residues 696-1021
Not recorded CKO E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0M Ammonium citrate tribase, 0.1M Bis-Tris propane, pH7.0
Resolution 2.86 Å R-free 0.248
6LUB Crystal Structure of EGFR(L858R/T790M/C797S) in complex with CH7233163 Deposited 2020-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Mutation：L858R, T790M, C797S, E865A, E866A, K867A EUX N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；294 K；1.0 M Succinic Acid, 1.0 %(w/v) Polyethylene glycol monomethyl ether 2000, 0.1 M HEPES
Resolution 2.31 Å R-free 0.226
6LUD Crystal Structure of EGFR(L858R/T790M/C797S) in complex with Osimertinib Deposited 2020-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Mutation：L858R, T790M, C797S, E865A, E866A, K867A YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.7；294 K；0.96 M Succinic Acid, 1.0 %(w/v) Polyethylene glycol monomethyl ether 2000, 0.1 M HEPES
Resolution 2.05 Å R-free 0.222
6P1D Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor Deposited 2019-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 696–1022（327 aa）
Chain D 696–1022（327 aa）
Not recorded NQ1 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 29% PEG 3350, 5.0 mM TCEP
Resolution 2.40 Å R-free 0.213
6P1D Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor Deposited 2019-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa）
Chain C 696–1022（327 aa）
Not recorded NQ1 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 29% PEG 3350, 5.0 mM TCEP
Resolution 2.40 Å R-free 0.213
6P1L Crystal structure of EGFR in complex with EAI045 Deposited 2019-05-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa）
Chain C 696–1022（327 aa）
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 9LL (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris ,26% PEG 8000
Resolution 2.80 Å R-free 0.237
6P1L Crystal structure of EGFR in complex with EAI045 Deposited 2019-05-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 696–1022（327 aa）
Chain D 696–1022（327 aa）
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 9LL (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris ,26% PEG 8000
Resolution 2.80 Å R-free 0.237
6P8Q EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor. Deposited 2019-06-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa）
Chain B 696–1022（327 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 O57 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one × 2 MG MAGNESIUM ION × 3 AMP ADENOSINE MONOPHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；PEG 3350, Bis-Tris
Resolution 1.90 Å R-free 0.195
6P8Q EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor. Deposited 2019-06-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 696–1022（327 aa）
Chain D 696–1022（327 aa）
Not recorded O57 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one × 2 MG MAGNESIUM ION × 2 AMP ADENOSINE MONOPHOSPHATE × 2 EDO 1,2-ETHANEDIOL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；PEG 3350, Bis-Tris
Resolution 1.90 Å R-free 0.195
6S89 Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g Deposited 2019-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, C797S, E865A, E866A, K867A L0Q ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.35 K-Na-tartrate, 100 mM Na-MES (pH 6.5), 2 % 1,3-Propanediol, 5.5 mg/ml EGFR T790M/C797 (in 100 mM NaCl, 25mM Tris-HCl, 10 % Glycerol, 1mM TCEP, pH 8.0), 1 ul reservoir + 1 ul protein solution
Resolution 2.70 Å R-free 0.234
6S8A Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19h Deposited 2019-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, C797S, E865A, E866A, K867A MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 L0N ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.15 K-Na-tartrate, 100 mM Na-MES (pH 6.5), 2 % 1,3-Propanediol, 5.3 mg/ml EGFR T790M/C797 (in 100 mM NaCl, 25mM Tris-HCl, 10 % Glycerol, 1mM TCEP, pH 8.0), 1 ul reservoir + 1 ul protein solution
Resolution 2.60 Å R-free 0.207
6S9B EGFR-KINASE IN COMPLEX WITH COMPOUND 1 Deposited 2019-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 697–1022（326 aa） Fragment：KINASE DOMAIN MUTANT
Mutation：T790M, L858R, E865A, E866A, K867A L1H 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；10% PEG 10000 8% Ethylene glycol 0.1 M HEPES
Resolution 3.25 Å R-free 0.232
6S9C EGFR-KINASE IN COMPLEX WITH COMPOUND 5 Deposited 2019-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN MUTANT
Mutation：T790M, L858R, E865A, E866A, K867A L1K ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；10 % PEG 10000 8 % ethylene glycol 0.1 M HEPES
Resolution 2.73 Å R-free 0.225
6S9D EGFR-KINASE IN COMPLEX WITH COMPOUND 6 Deposited 2019-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：KINASE DOMAIN MUTANT
Not recorded L3Z 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；10 % PEG 10000 8 % ethylene glycol 0.1 M HEPES
Resolution 2.67 Å R-free 0.224
6TFU Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R N7K ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；32.5 % PEG3350, 100 mM MgSO4, 3 % ethylen glycole 7.2 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.233
6TFU Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R N7K ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；32.5 % PEG3350, 100 mM MgSO4, 3 % ethylen glycole 7.2 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.233
6TFV Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R N7Q ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide × 1 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.50 Å R-free 0.203
6TFV Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R N7Q ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide × 1 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.50 Å R-free 0.203
6TFW Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R N7W ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide × 1 SO4 SULFATE ION × 2 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；30 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.245
6TFW Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R N7W ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide × 1 SO4 SULFATE ION × 3 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；30 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.245
6TFY Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R N7Z ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；30 % PEG3350, 100 mM MgSO4, 3 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.70 Å R-free 0.212
6TFY Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R N7Z ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；30 % PEG3350, 100 mM MgSO4, 3 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.70 Å R-free 0.212
6TFZ Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R N7B ~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；30 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole 7.5 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.80 Å R-free 0.206
6TFZ Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R N7B ~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide × 1 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；30 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole 7.5 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.80 Å R-free 0.206
6TG0 Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R N78 ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide × 1 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 3 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.50 Å R-free 0.188
6TG0 Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R N78 ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide × 1 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 3 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.50 Å R-free 0.188
6TG1 Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R N82 ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide × 1 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 2 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.60 Å R-free 0.198
6TG1 Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b Deposited 2019-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R N82 ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide × 1 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 2 % ethylen glycole 7.0 mg/mL EGFR T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.60 Å R-free 0.198
6V5N EGFR(T790M/V948R) in complex with LN2084 Deposited 2019-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 695–1022（328 aa）
Chain D 695–1022（328 aa）
Mutation：T790M,V948R Mutation：T790M,V948R QP7 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.40 Å R-free 0.243
6V5N EGFR(T790M/V948R) in complex with LN2084 Deposited 2019-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa）
Chain B 695–1022（328 aa）
Mutation：T790M,V948R Mutation：T790M,V948R QP7 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.40 Å R-free 0.243
6V5P EGFR(T790M/V948R) in complex with LN2725 Deposited 2019-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa）
Chain B 695–1022（328 aa）
Mutation：T790M,V948R Mutation：T790M,V948R QP4 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.30 Å R-free 0.194
6V5P EGFR(T790M/V948R) in complex with LN2725 Deposited 2019-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 695–1022（328 aa）
Chain D 695–1022（328 aa）
Mutation：T790M,V948R Mutation：T790M,V948R QP4 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.30 Å R-free 0.194
6V66 EGFR(T790M/V948R) in complex with LN2899 Deposited 2019-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 696–1022（327 aa）
Chain D 696–1022（327 aa）
Mutation：T790M,V948R Mutation：T790M,V948R CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 2 QP1 N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 1.79 Å R-free 0.226
6V66 EGFR(T790M/V948R) in complex with LN2899 Deposited 2019-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa）
Chain C 696–1022（327 aa）
Mutation：T790M,V948R Mutation：T790M,V948R CL CHLORIDE ION × 2 QP1 N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 1.79 Å R-free 0.226
6V6K EGFR(T790M/V948R) in complex with LN2057 Deposited 2019-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 696–1022（327 aa）
Chain D 696–1022（327 aa）
Not recorded CL CHLORIDE ION × 2 QQJ N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.20 Å R-free 0.239
6V6K EGFR(T790M/V948R) in complex with LN2057 Deposited 2019-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa）
Chain H 696–1022（327 aa）
Not recorded CL CHLORIDE ION × 2 QQJ N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.20 Å R-free 0.239
6V6K EGFR(T790M/V948R) in complex with LN2057 Deposited 2019-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 696–1022（327 aa）
Chain G 696–1022（327 aa）
Not recorded CL CHLORIDE ION × 2 QQJ N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.20 Å R-free 0.239
6V6K EGFR(T790M/V948R) in complex with LN2057 Deposited 2019-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 696–1022（327 aa）
Chain F 696–1022（327 aa）
Not recorded CL CHLORIDE ION × 2 QQJ N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.20 Å R-free 0.239
6V6O EGFR(T790M/V948R) in complex with LN2380 Deposited 2019-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 696–1022（327 aa）
Chain E 696–1022（327 aa）
Not recorded CL CHLORIDE ION × 2 QQM N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.10 Å R-free 0.221
6V6O EGFR(T790M/V948R) in complex with LN2380 Deposited 2019-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa）
Chain F 696–1022（327 aa）
Not recorded CL CHLORIDE ION × 2 QQM N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.10 Å R-free 0.221
6V6O EGFR(T790M/V948R) in complex with LN2380 Deposited 2019-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 696–1022（327 aa）
Chain H 696–1022（327 aa）
Not recorded CL CHLORIDE ION × 2 QQM N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.10 Å R-free 0.221
6V6O EGFR(T790M/V948R) in complex with LN2380 Deposited 2019-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 696–1022（327 aa）
Chain G 696–1022（327 aa）
Not recorded CL CHLORIDE ION × 2 QQM N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M Bis-Tris, 25% PEG3350
Resolution 2.10 Å R-free 0.221
6VH4 Wild type EGFR in complex with LN2380 Deposited 2020-01-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded QQM N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.4 M Sodium Citrate, 0.1 M MES
Resolution 2.80 Å R-free 0.230
6VHN Wild type EGFR in complex with LN2057 Deposited 2020-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded QQJ N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.4M Sodium Citrate, 0.1 M MES
Resolution 2.40 Å R-free 0.200
6VHP Wild type EGFR in complex with LN2899 Deposited 2020-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded QP1 N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.4M Sodium Citrate, 0.1 M MES
Resolution 3.60 Å R-free 0.218
6WA2 Crystal structure of EGFR(T790M/V948R) in complex with LN3753 Deposited 2020-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa）
Chain D 695–1022（328 aa）
Not recorded TOV N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350 0.1 M BisTris
Resolution 2.40 Å R-free 0.258
6WA2 Crystal structure of EGFR(T790M/V948R) in complex with LN3753 Deposited 2020-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa）
Chain C 695–1022（328 aa）
Not recorded TOV N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350 0.1 M BisTris
Resolution 2.40 Å R-free 0.258
6WAK A crystal structure of EGFR(T790M/V948R) in complex with LN3754 Deposited 2020-03-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa）
Chain D 695–1022（328 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350, 0.1 M BisTris
Resolution 2.40 Å R-free 0.230
6WAK A crystal structure of EGFR(T790M/V948R) in complex with LN3754 Deposited 2020-03-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa）
Chain C 695–1022（328 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 TQA N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350, 0.1 M BisTris
Resolution 2.40 Å R-free 0.230
6WXN EGFR(T790M/V948R) in complex with LN3844 Deposited 2020-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa）
Not recorded UEJ N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M BisTris, 25% PEG-3350
Resolution 1.76 Å R-free 0.235
6WXN EGFR(T790M/V948R) in complex with LN3844 Deposited 2020-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M BisTris, 25% PEG-3350
Resolution 1.76 Å R-free 0.235
6WXN EGFR(T790M/V948R) in complex with LN3844 Deposited 2020-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M BisTris, 25% PEG-3350
Resolution 1.76 Å R-free 0.235
6WXN EGFR(T790M/V948R) in complex with LN3844 Deposited 2020-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa）
Not recorded UEJ N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1 M BisTris, 25% PEG-3350
Resolution 1.76 Å R-free 0.235
6XL4 EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 Deposited 2020-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 NQ1 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG 3350, 0.1 M Bis-Tris
Resolution 2.06 Å R-free 0.252
6XL4 EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 Deposited 2020-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 NQ1 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG 3350, 0.1 M Bis-Tris
Resolution 2.06 Å R-free 0.252
6XL4 EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 Deposited 2020-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG 3350, 0.1 M Bis-Tris
Resolution 2.06 Å R-free 0.252
6XL4 EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 Deposited 2020-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa）
Not recorded NQ1 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one × 1 MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG 3350, 0.1 M Bis-Tris
Resolution 2.06 Å R-free 0.252
6Z4B Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045 Deposited 2020-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 9LL (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide × 1 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 4.7 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.50 Å R-free 0.251
6Z4B Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045 Deposited 2020-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 9LL (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 4.7 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.50 Å R-free 0.251
6Z4D Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001 Deposited 2020-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R 8BS N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 2 % ethylen glycole, 5.0 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.221
6Z4D Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001 Deposited 2020-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R 8BS N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 1 SO4 SULFATE ION × 3 57N (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 2 % ethylen glycole, 5.0 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.221
7A2A Crystal Structure of EGFR-T790M/V948R in Complex with Spebrutinib and EAI001 Deposited 2020-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R 57N (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 7G9 ~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 5.0 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.90 Å R-free 0.217
7A2A Crystal Structure of EGFR-T790M/V948R in Complex with Spebrutinib and EAI001 Deposited 2020-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R 57N (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 7G9 ~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 5.0 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 1.90 Å R-free 0.217
7A6I Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 Deposited 2020-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R SO4 SULFATE ION × 4 R1W ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 200 mM MgSO4, 4 % ethylen glycole, 7.5 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.40 Å R-free 0.239
7A6J Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib Deposited 2020-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20.0 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 7.5 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.216
7A6J Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib Deposited 2020-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20.0 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 7.5 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.216
7A6K Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 Deposited 2020-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25.0 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 6.8 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.220
7A6K Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 Deposited 2020-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25.0 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 6.8 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.220
7A6K Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 Deposited 2020-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa）
Mutation：T790M, V948R R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25.0 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 6.8 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.220
7A6K Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 Deposited 2020-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa）
Mutation：T790M, V948R R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；25.0 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 6.8 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.00 Å R-free 0.220
7AEI Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series Deposited 2020-09-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded R85 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；Trisodium citrate 0.68M
Resolution 2.65 Å R-free 0.234
7AEM Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series Deposited 2020-09-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 6GY 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；Tris sodium citrate 0.68M
Resolution 2.65 Å R-free 0.221
7B85 Crystal Structure of EGFR-WT in Complex with TAK-788 Deposited 2020-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6 K-Na-tartrate, 100 mM Na-MES (pH 7.0), 6.2 mg/mL EGFR-WT (im 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0, 1 ul reservoir + 1 ul solution Soaking-Experiment
Resolution 2.50 Å R-free 0.244
7ER2 Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40 Deposited 2021-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M, C797S JAU 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；38% PEG 300, 150 mM KCl, 0.1 M HEPES (pH 8.0)
Resolution 2.66 Å R-free 0.242
7JXI EGFR kinase (T790M/V948R) in complex with PF-06747775 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 695–1022（328 aa） Fragment：kinase domain
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R 8BS N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 3.00 Å R-free 0.312
7JXI EGFR kinase (T790M/V948R) in complex with PF-06747775 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Chain B 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R 8BS N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 3.00 Å R-free 0.312
7JXK EGFR kinase (T790M/V948R) in complex with PF-06747775 and JBJ-04-125-02 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 JBJ (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 8BS N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 3.10 Å R-free 0.261
7JXK EGFR kinase (T790M/V948R) in complex with PF-06747775 and JBJ-04-125-02 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 JBJ (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 1 8BS N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 3.10 Å R-free 0.261
7JXK EGFR kinase (T790M/V948R) in complex with PF-06747775 and JBJ-04-125-02 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 695–1022（328 aa） Fragment：kinase domain
Chain F 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R JBJ (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 8BS N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 3.10 Å R-free 0.261
7JXL EGFR kinase (T790M/V948R) in complex with AZ5104 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R VO7 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 2.40 Å R-free 0.239
7JXL EGFR kinase (T790M/V948R) in complex with AZ5104 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R VO7 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 2.40 Å R-free 0.239
7JXM EGFR kinase (T790M/V948R) in complex with osimertinib and EAI045 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 695–1022（328 aa） Fragment：kinase domain
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 9LL (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 2.19 Å R-free 0.271
7JXM EGFR kinase (T790M/V948R) in complex with osimertinib and EAI045 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Chain B 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 9LL (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide × 1 YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 2.19 Å R-free 0.271
7JXP EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 695–1022（328 aa） Fragment：kinase domain
Chain F 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 JBJ (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 2.16 Å R-free 0.247
7JXP EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Chain E 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 JBJ (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 2.16 Å R-free 0.247
7JXP EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 JBJ (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 2.16 Å R-free 0.247
7JXQ EGFR kinase (T790M/V948R) in complex with allosteric inhibitor JBJ-09-063 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350
Resolution 1.83 Å R-free 0.218
7JXQ EGFR kinase (T790M/V948R) in complex with allosteric inhibitor JBJ-09-063 Deposited 2020-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350
Resolution 1.83 Å R-free 0.218
7JXW EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-09-063 Deposited 2020-08-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 2 VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350
Resolution 2.50 Å R-free 0.319
7JXW EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-09-063 Deposited 2020-08-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Mutation：T790M, V948R YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 2 VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350
Resolution 2.50 Å R-free 0.319
7K1H EGFR L858R/V948R in complex with osimertinib and allosteric inhibitor JBJ-09-063 Deposited 2020-09-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Chain B 695–1022（328 aa） Fragment：kinase domain
Mutation：L858R, V948R Mutation：L858R, V948R VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.60 Å R-free 0.275
7K1H EGFR L858R/V948R in complex with osimertinib and allosteric inhibitor JBJ-09-063 Deposited 2020-09-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 695–1022（328 aa） Fragment：kinase domain
Chain F 695–1022（328 aa） Fragment：kinase domain
Mutation：L858R, V948R Mutation：L858R, V948R VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.60 Å R-free 0.275
7K1H EGFR L858R/V948R in complex with osimertinib and allosteric inhibitor JBJ-09-063 Deposited 2020-09-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 695–1022（328 aa） Fragment：kinase domain
Chain E 695–1022（328 aa） Fragment：kinase domain
Mutation：L858R, V948R Mutation：L858R, V948R VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 YY3 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.60 Å R-free 0.275
7K1I EGFR kinase (L858R/V948R) in complex with allosteric inhibitor JBJ-09-063 Deposited 2020-09-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Mutation：L858R, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350
Resolution 3.20 Å R-free 0.311
7KXZ Active conformation of EGFR kinase in complex with BI-4020 Deposited 2020-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Not recorded CL CHLORIDE ION × 1 XA4 (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH 6.5, 0.8 M sodium citrate
Resolution 2.40 Å R-free 0.219
7KY0 Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020 Deposited 2020-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R XA4 (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350
Resolution 3.10 Å R-free 0.292
7KY0 Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020 Deposited 2020-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R XA4 (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350
Resolution 3.10 Å R-free 0.292
7KY0 Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020 Deposited 2020-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R XA4 (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350
Resolution 3.10 Å R-free 0.292
7KY0 Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020 Deposited 2020-12-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R XA4 (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 28% (w/v) PEG 3350
Resolution 3.10 Å R-free 0.292
7LEN Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with trehalose Deposited 2021-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 25–525（501 aa）
Mutation：R84K NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；8 mg/ml protein, 100 mM HEPES (pH 7.5), 12% PEG3350, with 3% (w/v) D-(+)-trehalose dihydrate
Resolution 2.90 Å R-free 0.295
7LEN Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with trehalose Deposited 2021-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 25–525（501 aa）
Mutation：R84K NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；8 mg/ml protein, 100 mM HEPES (pH 7.5), 12% PEG3350, with 3% (w/v) D-(+)-trehalose dihydrate
Resolution 2.90 Å R-free 0.295
7LFR Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with spermine Deposited 2021-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 25–525（501 aa）
Chain B 25–525（501 aa）
Mutation：R84K Mutation：R84K NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 MAN alpha-D-mannopyranose × 2 BMA beta-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；8 mg/ml protein, 100 mM HEPES (pH 7.5), 12% PEG3350, 10 mM spermine tetrahydrochloride
Resolution 3.20 Å R-free 0.303
7LFR Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with spermine Deposited 2021-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 25–525（501 aa）
Mutation：R84K NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MAN alpha-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；8 mg/ml protein, 100 mM HEPES (pH 7.5), 12% PEG3350, 10 mM spermine tetrahydrochloride
Resolution 3.20 Å R-free 0.303
7LFR Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with spermine Deposited 2021-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 25–525（501 aa）
Mutation：R84K NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 MAN alpha-D-mannopyranose × 1 BMA beta-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.15 K；8 mg/ml protein, 100 mM HEPES (pH 7.5), 12% PEG3350, 10 mM spermine tetrahydrochloride
Resolution 3.20 Å R-free 0.303
7LFS Crystal structure of the epidermal growth factor receptor extracellular region with A265V mutation in complex with epiregulin Deposited 2021-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 25–525（501 aa）
Mutation：A265V NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；8 mg/ml protein, 1% w/v tryptone, 1 mM sodium azide, 50 mM HEPES (pH 7.0), 20% PEG3350
Resolution 3.50 Å R-free 0.315
7LFS Crystal structure of the epidermal growth factor receptor extracellular region with A265V mutation in complex with epiregulin Deposited 2021-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 25–525（501 aa）
Mutation：A265V NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；8 mg/ml protein, 1% w/v tryptone, 1 mM sodium azide, 50 mM HEPES (pH 7.0), 20% PEG3350
Resolution 3.50 Å R-free 0.315
7LFS Crystal structure of the epidermal growth factor receptor extracellular region with A265V mutation in complex with epiregulin Deposited 2021-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 25–525（501 aa）
Mutation：A265V NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；8 mg/ml protein, 1% w/v tryptone, 1 mM sodium azide, 50 mM HEPES (pH 7.0), 20% PEG3350
Resolution 3.50 Å R-free 0.315
7LFS Crystal structure of the epidermal growth factor receptor extracellular region with A265V mutation in complex with epiregulin Deposited 2021-01-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 25–525（501 aa）
Mutation：A265V NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；8 mg/ml protein, 1% w/v tryptone, 1 mM sodium azide, 50 mM HEPES (pH 7.0), 20% PEG3350
Resolution 3.50 Å R-free 0.315
7LG8 EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor Deposited 2021-01-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 1 8RC 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.93 Å R-free 0.270
7LG8 EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor Deposited 2021-01-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 1 8RC 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.93 Å R-free 0.270
7LG8 EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor Deposited 2021-01-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 1 8RC 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.93 Å R-free 0.270
7LG8 EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor Deposited 2021-01-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R VNS (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide × 1 8RC 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.93 Å R-free 0.270
7LGS Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib. Deposited 2021-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 8000, 200mM Ammonium Citrate, 100mM MES pH 6.5
Resolution 3.10 Å R-free 0.305
7LGS Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib. Deposited 2021-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 696–1022（327 aa）
Not recorded Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 EDO 1,2-ETHANEDIOL × 4 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 8000, 200mM Ammonium Citrate, 100mM MES pH 6.5
Resolution 3.10 Å R-free 0.305
7LGS Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib. Deposited 2021-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 696–1022（327 aa）
Not recorded Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 8000, 200mM Ammonium Citrate, 100mM MES pH 6.5
Resolution 3.10 Å R-free 0.305
7LGS Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib. Deposited 2021-01-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 696–1022（327 aa）
Not recorded Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 8000, 200mM Ammonium Citrate, 100mM MES pH 6.5
Resolution 3.10 Å R-free 0.305
7LTX EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor Deposited 2021-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 YFA (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.30 Å R-free 0.216
7LTX EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor Deposited 2021-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 YFA (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.30 Å R-free 0.216
7LTX EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor Deposited 2021-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 YFA (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.30 Å R-free 0.216
7LTX EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor Deposited 2021-02-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 YFA (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.30 Å R-free 0.216
7OM4 Nanobody EgB4 bound to the full extracellular EGFR-EGF complex Deposited 2021-05-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 25–645（621 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M LiSO4, 0.1 M glycine pH 10.5, 1.1 M sodium dihydrogen phosphate and 0.72 M dipotassium hydrogen phosphate
Resolution 6.05 Å R-free 0.327
7OXB Crystal structure of EGFR double mutant (T790M/L858R) in complex with compound 6. Deposited 2021-06-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1020（325 aa） Fragment：KINASE DOMAIN
Not recorded 35Z 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；Unknown
Resolution 2.56 Å R-free 0.227
7SI1 Crystal structure of apo EGFR kinase domain Deposited 2021-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；292 K；0.1 M MES pH 7.0, 1M Na/K Tartrate
Resolution 1.60 Å R-free 0.215
7SYD Cryo-EM structure of the extracellular module of the full-length EGFR bound to EGF "tips-juxtaposed" conformation Deposited 2021-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–1210（1210 aa）
Chain B 1–1210（1210 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
7SYE Cryo-EM structure of the extracellular module of the full-length EGFR bound to EGF. "tips-separated" conformation Deposited 2021-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–1210（1210 aa）
Chain B 1–1210（1210 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
7SZ0 Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-juxtaposed" conformation Deposited 2021-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–1210（1210 aa）
Chain B 1–1210（1210 aa）
Mutation：L834R Mutation：L834R No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
7SZ1 Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-separated" conformation Deposited 2021-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–1210（1210 aa）
Chain B 1–1210（1210 aa）
Mutation：L834R Mutation：L834R No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
7SZ5 Cryo-EM structure of the extracellular module of the full-length EGFR bound to TGF-alpha "tips-separated" conformation Deposited 2021-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–1210（1210 aa）
Chain B 1–1210（1210 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.60 Å
7SZ7 Cryo-EM structure of the extracellular module of the full-length EGFR bound to TGF-alpha. "tips-juxtaposed" conformation Deposited 2021-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–1210（1210 aa）
Chain B 1–1210（1210 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
7T4I Crystal Structure of wild type EGFR in complex with TAK-788 Deposited 2021-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Bis-tris pH 6.5, 0.2M lithium sulfate, 24% PEG 3350
Resolution 2.61 Å R-free 0.238
7T4J Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 Deposited 2021-12-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa）
Chain B 696–1022（327 aa）
Mutation：V948R Mutation：V948R R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate × 2 EDO 1,2-ETHANEDIOL × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG 8000, 200mM Ammonium Citrate, 100mM MES pH 6.5
Resolution 2.20 Å R-free 0.278
7TVD Crystal structure of the kinase domain of EGFR exon-19 (del-747-749) mutant Deposited 2022-02-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；289.15 K；28% PEG 400, 0.1 M Na Hepes pH 7.5, 0.2 M Calcium Chloride
Resolution 2.96 Å R-free 0.277
7U98 EGFR(T790M/V948R) in complex with a macrocyclic inhibitor Deposited 2022-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain, residues 695-1022
Mutation：T790M, V948R M1O 19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 3.42 Å R-free 0.244
7U98 EGFR(T790M/V948R) in complex with a macrocyclic inhibitor Deposited 2022-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：kinase domain, residues 695-1022
Mutation：T790M, V948R M1O 19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 3.42 Å R-free 0.244
7U98 EGFR(T790M/V948R) in complex with a macrocyclic inhibitor Deposited 2022-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa） Fragment：kinase domain, residues 695-1022
Mutation：T790M, V948R M1O 19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 3.42 Å R-free 0.244
7U98 EGFR(T790M/V948R) in complex with a macrocyclic inhibitor Deposited 2022-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa） Fragment：kinase domain, residues 695-1022
Mutation：T790M, V948R M1O 19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 3.42 Å R-free 0.244
7U99 EGFR kinase in complex with a macrocyclic inhibitor Deposited 2022-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain, residues 695-1022
Not recorded M0R 19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine × 1 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH 6.5, 1.1 M Sodium Citrate
Resolution 2.50 Å R-free 0.214
7U9A EGFR in complex with a macrocyclic inhibitor Deposited 2022-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain, residues 695-1022
Not recorded M19 4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol × 1 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH 6.5, 1.1 M Sodium Citrate
Resolution 2.60 Å R-free 0.226
7UKV Wild type EGFR in complex with Lazertinib (YH25448) Deposited 2022-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Not recorded ZRT N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.0 M Sodium Citrate, 0.1 M MES pH 6.0
Resolution 2.40 Å R-free 0.243
7UKW EGFR(T790M/V948R) in complex with Lazertinib (YH25448) Deposited 2022-04-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa）
Chain D 695–1022（328 aa）
Mutation：T790M, V948R Mutation：T790M, V948R ZRT N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350, 0.1 M Bis-Tris
Resolution 2.60 Å R-free 0.250
7UKW EGFR(T790M/V948R) in complex with Lazertinib (YH25448) Deposited 2022-04-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa）
Chain C 695–1022（328 aa）
Mutation：T790M, V948R Mutation：T790M, V948R ZRT N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350, 0.1 M Bis-Tris
Resolution 2.60 Å R-free 0.250
7VRA The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 Deposited 2021-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M, C797S I0A 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.05M CaCl2, 0.1M B-Tris pH 6.2, 24% PEG 550MME, 5mM TCEP
Resolution 2.41 Å R-free 0.245
7VRE The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 Deposited 2021-10-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded 7VH 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1 M HEPES pH 8.5, 40% PEG 400, 0.15 M NaCl, 5 mM tris(2-carboxyethyl)-phosphine (TCEP)
Resolution 2.51 Å R-free 0.242
7ZYM Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib Deposited 2022-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 6GY 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.4 K-Na-tartrate, 100 mM Na-MES (pH 6.5), 3.5 mg/mL EGFR-WT (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP) pH 8.0) 1 ul reservoir + 1 ul solution
Resolution 2.50 Å R-free 0.224
7ZYN Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 Deposited 2022-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 0UN N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.5 K-Na-tartrate, 100 mM Na-MES (pH 6.0), 3.9 mg/mL EGFR-WT (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP) pH 8.0) 1 ul reservoir + 1 ul solution
Resolution 2.30 Å R-free 0.223
7ZYP Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9 Deposited 2022-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded R25 propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.5 K-Na-tartrate, 100 mM Na-MES (pH 7.5), 5.5 mg/mL EGFR-WT (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP) pH 8.0) 1 ul reservoir + 1 ul solution
Resolution 2.80 Å R-free 0.228
7ZYQ Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 Deposited 2022-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded V58 phenyl 2-[[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-phenyl]amino]-4-(1H-indol-3-yl)pyrimidine-5-carboxylate × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 2 % ethylen glycole, 6.4 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.10 Å R-free 0.223
7ZYQ Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13 Deposited 2022-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded V58 phenyl 2-[[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-phenyl]amino]-4-(1H-indol-3-yl)pyrimidine-5-carboxylate × 1 SO4 SULFATE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；27.5 % PEG3350, 100 mM MgSO4, 2 % ethylen glycole, 6.4 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)
Resolution 2.10 Å R-free 0.223
8A27 EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide Deposited 2022-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 700–1022（323 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 KY9 (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide × 1 NO3 NITRATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；20% PEG Smear Medium, 0.1M MES, 0.15 ammonium nitrate, 5% ethylene glycol
Resolution 1.07 Å R-free 0.160
8A2A EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide (form 2) Deposited 2022-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 700–1022（323 aa）
Not recorded KY9 (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；25% PEG Smear Medium, 0.1 M sodium cacodylate, 0.2 M ammonium sulfate
Resolution 1.43 Å R-free 0.223
8A2B EGFR kinase domain (L858R/V948R) in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide Deposited 2022-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 700–1022（323 aa）
Mutation：L858R, V948R KY9 (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；25% PEG Smear High, 0.1M Tris, 0.2M magnesium chloride, 10% glycerole
Resolution 1.69 Å R-free 0.258
8A2D EGFR kinase domain (L858R/V948R) in complex with 2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-thiazol-2-yl-acetamide Deposited 2022-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 700–1022（323 aa）
Mutation：L858R, V948R EDO 1,2-ETHANEDIOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 KXY (2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG Smear High, 0.1M MES
Resolution 1.11 Å R-free 0.179
8D73 Crystal Structure of EGFR LRTM with compound 7 Deposited 2022-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, V948R GOL GLYCEROL × 1 QCR (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；285 K；0.10 M sodium acetate, pH 5.8, 0.30 M potassium acetate, 15% glycerol, 9% PEG 8000
Resolution 2.17 Å R-free 0.285
8D73 Crystal Structure of EGFR LRTM with compound 7 Deposited 2022-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, L858R, V948R GOL GLYCEROL × 1 QCR (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；285 K；0.10 M sodium acetate, pH 5.8, 0.30 M potassium acetate, 15% glycerol, 9% PEG 8000
Resolution 2.17 Å R-free 0.285
8D76 Crystal Structure of EGFR LRTM with compound 24 Deposited 2022-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded GOL GLYCEROL × 4 QFO (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；285 K；0.1 M sodium acetate pH 5.3, 0.2 M potassium acetate, 3% PEG 8000.
Resolution 2.40 Å R-free 0.260
8D76 Crystal Structure of EGFR LRTM with compound 24 Deposited 2022-06-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded GOL GLYCEROL × 2 QFO (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；285 K；0.1 M sodium acetate pH 5.3, 0.2 M potassium acetate, 3% PEG 8000.
Resolution 2.40 Å R-free 0.260
8DSW Crystal structure of EGFR kinase domain, Exon20 Insertion FQEA mutant Deposited 2022-07-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded PG4 TETRAETHYLENE GLYCOL × 2 MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2M potassium fluoride 20 % PEG 3350
Resolution 2.39 Å R-free 0.246
8EME EGFR(T790M/V948R) in complex with ZNL-0056 Deposited 2022-09-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa） Fragment：Kinase domain, residues 695-1022
Chain B 695–1022（328 aa） Fragment：Kinase domain, residues 695-1022
Mutation：T790M, V948R Mutation：T790M, V948R ZNL N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 25-30% (w/v) PEG 3350
Resolution 3.32 Å R-free 0.318
8F1H EGFR kinase in complex with TAS6417 (CLN-081) Deposited 2022-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Not recorded X9H N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH=6.5, 1.1 M Sodium Citrate
Resolution 2.80 Å R-free 0.212
8F1W EGFR(T790M/V948R) kinase in complex with poziotinib Deposited 2022-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 25-30% (w/v) PEG 3350
Resolution 3.20 Å R-free 0.274
8F1W EGFR(T790M/V948R) kinase in complex with poziotinib Deposited 2022-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 25-30% (w/v) PEG 3350
Resolution 3.20 Å R-free 0.274
8F1W EGFR(T790M/V948R) kinase in complex with poziotinib Deposited 2022-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 25-30% (w/v) PEG 3350
Resolution 3.20 Å R-free 0.274
8F1W EGFR(T790M/V948R) kinase in complex with poziotinib Deposited 2022-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 25-30% (w/v) PEG 3350
Resolution 3.20 Å R-free 0.274
8F1X EGFR kinase in complex with mobocertinib (TAK-788) Deposited 2022-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Not recorded R28 propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH=6.5, 1.1 M Sodium Citrate
Resolution 2.30 Å R-free 0.226
8F1Y EGFR kinase in complex with poziotinib Deposited 2022-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Not recorded R2E 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH=6.5, 1.1 M Sodium Citrate
Resolution 2.75 Å R-free 0.228
8F1Z EGFR kinase in complex with Bayer #33 Deposited 2022-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Not recorded X9B (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH 6.5, 1.1 M Sodium Citrate
Resolution 2.40 Å R-free 0.212
8FV3 EGFR(T790M/V948R) in complex with compound 1 (LN4503) Deposited 2023-01-18 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa）
Chain D 695–1022（328 aa）
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；Bis-Tris (100mM) at pH 5.5, 25% PEG3350, Water and TCEP (5mM)
Resolution 2.10 Å R-free 0.226
8FV3 EGFR(T790M/V948R) in complex with compound 1 (LN4503) Deposited 2023-01-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa）
Chain C 695–1022（328 aa）
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 YA6 N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；Bis-Tris (100mM) at pH 5.5, 25% PEG3350, Water and TCEP (5mM)
Resolution 2.10 Å R-free 0.226
8FV4 EGFR(T790M/V948R) in complex with compound 2 (LN5993) Deposited 2023-01-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa）
Chain D 695–1022（328 aa）
Mutation：T790M, V948R Mutation：T790M, V948R YAA N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；0.1 M Bis-Tris pH 5.7, 30% PEG 3350
Resolution 2.20 Å R-free 0.261
8FV4 EGFR(T790M/V948R) in complex with compound 2 (LN5993) Deposited 2023-01-18 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 695–1022（328 aa）
Chain C 695–1022（328 aa）
Mutation：T790M, V948R Mutation：T790M, V948R MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；0.1 M Bis-Tris pH 5.7, 30% PEG 3350
Resolution 2.20 Å R-free 0.261
8G63 Ralimetinib (LY2228820) in complex with wild type EGFR Deposited 2023-02-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Not recorded YXT ralimetinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.4 M Sodium Citrate, 0.1 M MES
Resolution 2.50 Å R-free 0.257
8GB4 EGFR(T790M/V948R) kinase in complex with benzimidazole allosteric inhibitor Deposited 2023-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 YW5 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.59 Å R-free 0.254
8GB4 EGFR(T790M/V948R) kinase in complex with benzimidazole allosteric inhibitor Deposited 2023-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 YW5 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.59 Å R-free 0.254
8GB4 EGFR(T790M/V948R) kinase in complex with benzimidazole allosteric inhibitor Deposited 2023-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 YW5 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.59 Å R-free 0.254
8GB4 EGFR(T790M/V948R) kinase in complex with benzimidazole allosteric inhibitor Deposited 2023-02-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 YW5 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350
Resolution 2.59 Å R-free 0.254
8GK5 EGFR(T790M/V948R) kinase in complex with osimertinib and benzimidazole allosteric inhibitor Deposited 2023-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 YW5 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 30% (w/v) PEG 3350
Resolution 2.30 Å R-free 0.252
8GK5 EGFR(T790M/V948R) kinase in complex with osimertinib and benzimidazole allosteric inhibitor Deposited 2023-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 YW5 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 30% (w/v) PEG 3350
Resolution 2.30 Å R-free 0.252
8GK5 EGFR(T790M/V948R) kinase in complex with osimertinib and benzimidazole allosteric inhibitor Deposited 2023-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 YW5 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 30% (w/v) PEG 3350
Resolution 2.30 Å R-free 0.252
8GK5 EGFR(T790M/V948R) kinase in complex with osimertinib and benzimidazole allosteric inhibitor Deposited 2023-03-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa） Fragment：kinase domain
Mutation：T790M, V948R Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 YW5 2-[(R)-(1H-benzimidazol-2-yl)(3-fluorophenyl)methyl]-6-[4-(1-methylpiperidin-4-yl)phenyl]-2,3-dihydro-1H-isoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.1 M Bis-Tris pH 5.7, 30% (w/v) PEG 3350
Resolution 2.30 Å R-free 0.252
8H7X Crystal structure of EGFR T790M/C797S mutant in complex with brigatinib Deposited 2022-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 696–1022（327 aa）
Chain B 696–1022（327 aa）
Mutation：T790M, C797S Mutation：T790M, C797S 6GY 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.2M sodium tartrate dibasic dihydrate, 22% PEG 3350
Resolution 3.40 Å R-free 0.256
8HGO The EGF-bound EGFR/HER2 ectodomain complex Deposited 2022-11-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–683（683 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；25mM Hepes, 150mM NaCl, 0.02%DDM-0.002%CHS
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.31 Å
8HGP The EREG-bound EGFR/HER2 ectodomain complex Deposited 2022-11-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–683（683 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.53 Å
8HGS The EGF-bound EGFR ectodomain homodimer Deposited 2022-11-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–683（683 aa）
Chain B 1–683（683 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.81 Å
8HV1 Crystal structure of EGFR_DMX in complex with covalently bound fragment 1 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 N6N 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400
Resolution 2.40 Å R-free 0.219
8HV2 Crystal structure of EGFR_wt in complex with covalently bound fragment 4 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 694–1022（329 aa）
Not recorded MWU ~{N}-pyridin-2-ylprop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；0.1M TRIS pH 7.0, 1.2M Sodium citrate
Resolution 2.80 Å R-free 0.216
8HV3 Crystal structure of EGFR_DMX in complex with covalently bound fragment 4 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 DMS DIMETHYL SULFOXIDE × 1 MWU ~{N}-pyridin-2-ylprop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400
Resolution 2.40 Å R-free 0.250
8HV4 Crystal structure of EGFR_TMX in complex with covalently bound fragment 4 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, C797S, L858R, E865A, E866A, K867A PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 MWU ~{N}-pyridin-2-ylprop-2-enamide × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400
Resolution 2.20 Å R-free 0.275
8HV5 Crystal structure of EGFR_DMX in complex with compound 7 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, L858R, E865A, E866A, K867A PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 N7C ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400
Resolution 2.20 Å R-free 0.224
8HV6 Crystal structure of EGFR_TMX in complex with covalently bound fragment 8 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, C797S, L858R, E865A, E866A, K867A PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 N86 ~{N}-quinolin-7-ylprop-2-enamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400
Resolution 2.20 Å R-free 0.296
8HV7 Crystal structure of EGFR_TMX in complex with covalently bound fragment 9 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, C797S, L858R, E865A, E866A, K867A PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 N8O ~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400
Resolution 2.69 Å R-free 0.290
8HV8 Crystal structure of EGFR_TMX in complex with covalently bound fragment 10 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, C797S, L858R, E865A, E866A, K867A PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 N99 ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400
Resolution 2.40 Å R-free 0.283
8HV9 Crystal structure of EGFR_TMX in complex with covalently bound fragment 12 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, C797S, L858R, E865A, E866A, K867A PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1 N9L ~{N}-(4-phenylpyridin-2-yl)prop-2-enamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400
Resolution 2.50 Å R-free 0.274
8HVA Crystal structure of EGFR_TMX in complex with covalently bound compound 14 Deposited 2022-12-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded N9R ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400
Resolution 2.77 Å R-free 0.251
8HY7 EGFR kinase domain mutant "TMLR" with compound 28f Deposited 2023-01-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：E865A,E866A,K867A NSO ~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES, pH 7.0, 10% (W/V) PEG 10000, 10%(V/V) Ethylene glycol
Resolution 2.91 Å R-free 0.251
8KFQ The crystal structure of EGFR(T797M/L858R) with small molecule inhibitor B6 Deposited 2023-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 697–1018（322 aa）
Mutation：T797M,L858R SO4 SULFATE ION × 1 VUZ ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M HEPES, pH 7.0, 10% (W/V) PEG10000, 10%(V/V) Ethylene glycol
Resolution 3.22 Å R-free 0.260
8PNZ Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR Deposited 2023-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 2I0 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.68M Na3Cit pHed to pH 7.5 using conc HCl
Resolution 2.51 Å R-free 0.284
8PO0 Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG Deposited 2023-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 2I6 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；Sodium Citrate
Resolution 2.52 Å R-free 0.376
8PO1 Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R] Deposited 2023-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 2EI 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one × 1 IOD IODIDE ION × 20 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG 8K 10%w/v pH 0, NH4I 0.2M pH 0, PCPT 0.1M pH 7.5
Resolution 2.11 Å R-free 0.275
8PO2 Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R] Deposited 2023-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 26X 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG 8K 15%w/v pH 0, PCPT 0.1M pH 8.5
Resolution 2.28 Å R-free 0.246
8PO2 Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R] Deposited 2023-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded 26X 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG 8K 15%w/v pH 0, PCPT 0.1M pH 8.5
Resolution 2.28 Å R-free 0.246
8PO2 Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R] Deposited 2023-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG 8K 15%w/v pH 0, PCPT 0.1M pH 8.5
Resolution 2.28 Å R-free 0.246
8PO3 Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R] Deposited 2023-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 2II 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG 8K 12%w/v pH 0, PCPT 0.1M pH 5.5
Resolution 2.13 Å R-free 0.269
8PO4 Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R] Deposited 2023-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded 26X 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG8k
Resolution 1.62 Å R-free 0.243
8PO4 Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R] Deposited 2023-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；PEG8k
Resolution 1.62 Å R-free 0.243
8S1M Crystal structure of human GABARAP fused to EGFR (1076-1099) Deposited 2024-02-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1076–1099（24 aa）
Not recorded CL CHLORIDE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；0.17 M ammonium acetate 0.085 M sodium citrate 25.5% PEG 4000 15% Glycerol
Resolution 2.05 Å R-free 0.230
8SC7 Structure of EGFR in complex with MTX-531 Deposited 2023-04-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded GOL GLYCEROL × 1 CL CHLORIDE ION × 1 D0D N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；285 K；1.05 M Sodium Succinate pH 7.0, 0.1 M HEPES-NaOH pH 6.7
Resolution 1.98 Å R-free 0.216
8TJL EGFR kinase in complex with pyrazolopyrimidine covalent inhibitor Deposited 2023-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa） Fragment：kinase domain
Not recorded HZ6 1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH 6.5, 0.8 M sodium citrate
Resolution 2.70 Å R-free 0.232
8TO3 EGFR(T790M/V948R) in complex with LN5461 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa）
Mutation：T790M, V948R MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；Bis-Tris (100mM), 25% PEG-3350 and TCEP (5mM)
Resolution 2.49 Å R-free 0.269
8TO3 EGFR(T790M/V948R) in complex with LN5461 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：T790M, V948R IXC 3-hydroxy-N-{(3P)-3-[(4P)-2-(methylsulfanyl)-5-{2-[4-(piperazin-1-yl)anilino]pyridin-4-yl}-1H-imidazol-4-yl]phenyl}-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；Bis-Tris (100mM), 25% PEG-3350 and TCEP (5mM)
Resolution 2.49 Å R-free 0.269
8TO3 EGFR(T790M/V948R) in complex with LN5461 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：T790M, V948R MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；Bis-Tris (100mM), 25% PEG-3350 and TCEP (5mM)
Resolution 2.49 Å R-free 0.269
8TO3 EGFR(T790M/V948R) in complex with LN5461 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa）
Mutation：T790M, V948R MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；Bis-Tris (100mM), 25% PEG-3350 and TCEP (5mM)
Resolution 2.49 Å R-free 0.269
8TO4 EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 695–1022（328 aa）
Not recorded MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 IXR (2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350, Bis-Tris 0.1 M
Resolution 2.99 Å R-free 0.231
8TO4 EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350, Bis-Tris 0.1 M
Resolution 2.99 Å R-free 0.231
8TO4 EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350, Bis-Tris 0.1 M
Resolution 2.99 Å R-free 0.231
8TO4 EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057 Deposited 2023-08-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 695–1022（328 aa）
Not recorded MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 IXR (2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；25% PEG-3350, Bis-Tris 0.1 M
Resolution 2.99 Å R-free 0.231
8UKV Crystal structure of nanobody/VHH domain of 34E5 in complex with the extracellular region of the epidermal growth factor variant III (EGFRvIII) Deposited 2023-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 25–30（6 aa）
Chain A 298–642（345 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；70-90 micromolar protein, 15-20% PEG 3350, 100 mM ammonium phosphate, pH 7.4, +20% PEG400 for cryo
Resolution 2.94 Å R-free 0.252
8UKV Crystal structure of nanobody/VHH domain of 34E5 in complex with the extracellular region of the epidermal growth factor variant III (EGFRvIII) Deposited 2023-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 25–30（6 aa）
Chain B 298–642（345 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；70-90 micromolar protein, 15-20% PEG 3350, 100 mM ammonium phosphate, pH 7.4, +20% PEG400 for cryo
Resolution 2.94 Å R-free 0.252
8UKW Crystal structure the extracellular region of the epidermal growth factor receptor variant III (EGFRvIII) at pH 5.0 Deposited 2023-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 25–30（6 aa）
Chain A 298–642（345 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；7 mg/ml protein, 27.5% PEG 3350, 50 mM Na Citrate pH 5.0
Resolution 2.39 Å R-free 0.244
8UKW Crystal structure the extracellular region of the epidermal growth factor receptor variant III (EGFRvIII) at pH 5.0 Deposited 2023-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 25–30（6 aa）
Chain B 298–642（345 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；7 mg/ml protein, 27.5% PEG 3350, 50 mM Na Citrate pH 5.0
Resolution 2.39 Å R-free 0.244
8UKX Crystal structure the extracellular region of the epidermal growth factor receptor variant III (EGFRvIII) at pH 7.0 Deposited 2023-10-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 25–30（6 aa）
Chain A 298–642（345 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；7mg/ml protein, 27.5% PEG 3350, 5% glycerol, 100 mM HEPES, pH 7.0, +5% glycerol for cryo
Resolution 3.30 Å R-free 0.320
8WD4 EGFR(L858R/T790/C797S) in complex with compound 5j Deposited 2023-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：L858R,T790M,C797S W7W ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；297 K；0.46 M Trisodium citrate, pH 7.0
Resolution 2.55 Å R-free 0.230
9BY4 Co-crystal structure of the kinase domain of EGFR with non-covalent osimertinib Deposited 2024-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded PDO 1,3-PROPANDIOL × 3 Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；289.15 K；100 mM MES, pH 6.0, 0.8 M sodium citrate
Resolution 2.31 Å R-free 0.220
9BY6 Crystal structure of the kinase domain of EGFR soaked with non-covalent osimertinib Deposited 2024-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded PDO 1,3-PROPANDIOL × 1 Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；285.15 K；100 mM HEPES, pH 7.0, 0.6-0.9 Na-K tartrate
Resolution 2.55 Å R-free 0.245
9D3V CRYSTAL STRUCTURE OF EGFR(L858R/T790M/C797S) IN COMPLEX WITH AUR-3418 Deposited 2024-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Mutation：T790M, C797S, L858R, E865A, E866A, K867A A1A5V (4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine × 1 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.7；294 K；0.96 M SUCCINIC ACID, 1.0 %(W/V) POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000, 0.1 M HEPES
Resolution 2.32 Å R-free 0.329
9D3W CRYSTAL STRUCTURE OF EGFR(L858R/T790M/C797S) IN COMPLEX WITH AUR-8250 Deposited 2024-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Mutation：T790M, C797S, L858R, E865A, E866A, K867A A1A5L (4S)-1-(1,4-dioxaspiro[4.5]decan-8-yl)-N-{2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1H-imidazo[1,2-b]pyrazol-6-amine × 1 CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.7；294 K；0.96 M SUCCINIC ACID, 1.0 %(W/V) POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000, 0.1 M HEPES
Resolution 2.53 Å R-free 0.310
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 Deposited 2024-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：V951R A1IMS 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2S)-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one × 1 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 6 GOL GLYCEROL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.8 microliters 5 mg/mL ASV protein mixed 1:1 with 100mM MES pH 6.4, 200 mM MgCl2, 14% w/v PEG 4000. 0.2 microliters of 1M sodium fluoride then added to drop
Resolution 2.50 Å R-free 0.245
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 Deposited 2024-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：V951R A1IMS 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2S)-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one × 1 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.8 microliters 7.7 mg/mL protein mixed 1:1 with 100mM MES pH 6.2, 600 mM NaCl, 14% w/v PEG 4000. 0.2 microliters of 100 mM spermidine added to drop
Resolution 1.68 Å R-free 0.200
9DF4 EGFR Exon20 insertion mutant SVD bound with STX-721 Deposited 2024-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：V951R A1A4E (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one × 1 CL CHLORIDE ION × 4 EDO 1,2-ETHANEDIOL × 9 GOL GLYCEROL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.8 microliters of 5.9 mg/mL was mixed 1:1 with 600 mM NaCl, 100 mM MES pH 6.2, and 16%W/V PEG4000. 0.2 microliters of a 10 mM Taurine solution was then added to the drop
Resolution 1.78 Å R-free 0.198
9DM8 EGFR wildtype in complex with BI-8128 Deposited 2024-09-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Not recorded A1A6K (6M)-1-{2-[4-(2-methoxyethyl)piperazin-1-yl]-1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1H-imidazo[4,5-c]pyridin-6-yl}-6-(4-methoxypyridin-3-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MES, pH 6.5, 1.0 M sodium citrate, 5.0 mM TCEP
Resolution 2.13 Å R-free 0.214
9EWS Optimisation of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded A1H7N 1-[3-pyridin-4-yl-2-[3-(2-pyrimidin-2-ylethynyl)phenyl]-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one × 1 IOD IODIDE ION × 15 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；17 % PEG8000, 0.2 M NH4I, 0.1 M PCTP pH 7.5
Resolution 2.44 Å R-free 0.326
9EWT Optimisation of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded A1H7O 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 8K 20%w/v, MPD 5%v/v, PCPT 0.1M pH 7.5
Resolution 3.02 Å R-free 0.342
9EWT Optimisation of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations Deposited 2024-04-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded A1H7O 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 8K 20%w/v, MPD 5%v/v, PCPT 0.1M pH 7.5
Resolution 3.02 Å R-free 0.342
9FQP EGFR Exon20 insertion mutant NPG bound with Compound 23 Deposited 2024-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：V948R D770_N771insNPG A1IEZ (7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；0.3 M Sodium Chloride, 50 mM TRIS-HCl pH 7.9, 9% v/v PEG 400
Resolution 2.50 Å R-free 0.275
9FQS EGFR Exon20 insertion mutant NPG bound with Compound 39 Deposited 2024-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：V948R D770_N771insNPG EDO 1,2-ETHANEDIOL × 2 A1IE0 3-[(3-fluoranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-propanoylpyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；0.2 M Ammonium Sulfate, 100 mM HEPES-NaOH pH 6.8, 20% v/v PEG 5000 MME
Resolution 1.78 Å R-free 0.237
9FRD Wildtype EGFR bound with Compound 23 Deposited 2024-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 A1IEZ (7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；sodium tartrate, sodium acetate, ammonium chloride
Resolution 2.06 Å R-free 0.197
9FZR Wild-type EGFR in covalent complex with Poziotinib analogue Deposited 2024-07-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded A1IHC 1-[(3~{S})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；25mM TRIS-HCL pH8.0, 150mM NaCl, 5% Glycerol, 1mM TCEP, 100mM HEPES pH 7.4, 40% PEG400
Resolution 1.99 Å R-free 0.233
9FZS Wild-type EGFR in complex with non-covalent poziotinib analogue Deposited 2024-07-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded A1IHD 1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；25mM TRIS-HCL pH8.0, 150mM NaCl, 5% Glycerol, 1mM TCEP, 100mM HEPES pH 7.4, 40% PEG400
Resolution 2.12 Å R-free 0.237
9GC4 Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations Deposited 2024-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded A1IZ7 1-[2-[3-(3-chloranyl-6-fluoranyl-pyridin-2-yl)oxyphenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；alcohols 10%, MB1 0.1M pH 6.5, EDO_P8K 30%w/v (morpheus screen D2)
Resolution 2.42 Å R-free 0.248
9GC4 Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations Deposited 2024-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 695–1022（328 aa）
Chain D 695–1022（328 aa）
Not recorded A1IZ7 1-[2-[3-(3-chloranyl-6-fluoranyl-pyridin-2-yl)oxyphenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；alcohols 10%, MB1 0.1M pH 6.5, EDO_P8K 30%w/v (morpheus screen D2)
Resolution 2.42 Å R-free 0.248
9GC5 Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations Deposited 2024-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded A1IZ8 1-[2-[5-(1,3-benzoxazol-4-yl)-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 8K 12%w/v, LiSO4 0.5M
Resolution 1.91 Å R-free 0.261
9GC5 Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations Deposited 2024-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded A1IZ8 1-[2-[5-(1,3-benzoxazol-4-yl)-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 8K 12%w/v, LiSO4 0.5M
Resolution 1.91 Å R-free 0.261
9GC6 Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations Deposited 2024-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded A1IZ9 1-[2-[5-fluoranyl-4-(2-fluorophenyl)pyridin-2-yl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Peg 8K
Resolution 1.90 Å R-free 0.323
9GC6 Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations Deposited 2024-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded A1IZ9 1-[2-[5-fluoranyl-4-(2-fluorophenyl)pyridin-2-yl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Peg 8K
Resolution 1.90 Å R-free 0.323
9GDV Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations Deposited 2024-08-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；PEG 4K 25%w/v, (NH4)2SO4 0.2M, Na Acet 0.1M pH 4.6 TEV protease carboxypeptidase
Resolution 2.22 Å R-free 0.293
9GDV Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations Deposited 2024-08-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Not recorded Q6K ~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；PEG 4K 25%w/v, (NH4)2SO4 0.2M, Na Acet 0.1M pH 4.6 TEV protease carboxypeptidase
Resolution 2.22 Å R-free 0.293
9GHR Crystal Structure of EGFR-WT in Complex with Covalent Compound 10n Deposited 2024-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded A1ILN (~{N}~{E})-2-isoquinolin-4-yl-~{N}-[3-[(3~{R})-1-propanoylazepan-3-yl]-1~{H}-benzimidazol-2-ylidene]pyridine-4-carboxamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.4 K-Na-tartrate, 100 mM Na-MES (pH 7.0), 5.7 mg/mL EGFR-WT (im 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0, 1 ul reservoir + 1 ul solution) Soaking-Experiment
Resolution 2.10 Å R-free 0.202
9GHS Crystal Structure of EGFR-WT in Complex with Covalent Compound 10a Deposited 2024-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded A1ILJ (~{N}~{E})-2-(1-methylpyrazol-4-yl)-~{N}-[3-[(3~{R})-1-propanoylazepan-3-yl]-1~{H}-benzimidazol-2-ylidene]pyridine-4-carboxamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6 K-Na-tartrate, 100 mM Na-MES (pH 6.5), 5.5 mg/mL EGFR-WT (im 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0, 1 ul reservoir + 1 ul solution) Soaking-Experiment
Resolution 2.60 Å R-free 0.208
9GHT Crystal Structure of EGFR-WT in Complex with BI-4020 Deposited 2024-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded XA4 (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.5 K-Na-tartrate, 100 mM Na-MES (pH 7.0), 4.3 mg/mL EGFR-WT (im 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0, 1 ul reservoir + 1 ul solution) Soaking-Experiment
Resolution 2.60 Å R-free 0.237
9GHU Crystal Structure of EGFR-WT in Complex with Covalent Compound 10f Deposited 2024-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded A1ILK (~{N}~{E})-2-(1,3-dimethylpyrazol-4-yl)-~{N}-[3-[(3~{R})-1-propanoylazepan-3-yl]-1~{H}-benzimidazol-2-ylidene]pyridine-4-carboxamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.4 K-Na-tartrate, 100 mM Na-MES (pH 7.0), 4.5 mg/mL EGFR-WT (im 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0, 1 ul reservoir + 1 ul solution) Soaking-Experiment
Resolution 2.25 Å R-free 0.218
9GHV Crystal Structure of EGFR-WT in Complex with Covalent Compound 13 Deposited 2024-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Not recorded A1ILI 2-[[2-(1-methylpyrazol-4-yl)pyridin-4-yl]carbonylamino]-1-[(3~{R})-1-propanoylazepan-3-yl]-~{N}-prop-2-ynyl-benzimidazole-5-carboxamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 K-Na-tartrate, 100 mM Na-MES (pH 7.5), 5.6 mg/mL EGFR-WT (im 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0, 1 ul reservoir + 1 ul solution) Soaking-Experiment
Resolution 2.50 Å R-free 0.213
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 Deposited 2024-08-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：>#FRAGMENT#<
Not recorded A1ILZ 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{R})-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；sodium tartrate, sodium acetate, ammonium chloride
Resolution 3.12 Å R-free 0.248
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 Deposited 2024-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：V948R A1IMS 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2S)-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2 M Magnesium Chloride, 0.1 M TRIS-HCl pH 8.5, 20% w/v PEG 4000
Resolution 1.88 Å R-free 0.287
9GL8 EGFR Exon20 insertion mutant NPG bound with STX-721 Deposited 2024-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：V948R NA SODIUM ION × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 A1IMT (2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2 M Potassium Chloride, 0.1 Magnesium Acetate, 0.05 M MES-NaOH pH 6.5, 10% w/v PEG 8000
Resolution 1.63 Å R-free 0.224
9GL9 Wild-type EGFR bound with STX-721 Deposited 2024-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded CL CHLORIDE ION × 2 A1IMT (2R,3S)-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[2-[(2R)-1-[(E)-4-(dimethylamino)but-2-enoyl]-2-methyl-pyrrolidin-2-yl]ethynyl]pyridin-4-yl]-1,2,3,5,6,7-hexahydropyrrolo[3,2-c]pyridin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；285 K；0.1 M HEPES-NaOH pH 6.9, 0.98 M Sodium Succinate pH 7.0, 5 mM TCEP
Resolution 2.15 Å R-free 0.213
9H42 EGFR wild type incomplex with 26007 Deposited 2024-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded A1IR8 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；293 K；25 mM HEPES pH 8, 150 mM NaCl, 10 % glycerol, 1 mM DTT 85mM Tris pH 7.6, 140 mM acetate, 23.5 % Polyethylene glycol 4,000, 18% glycerol
Resolution 2.60 Å R-free 0.245
9H46 EGFR wild type in complex with 25328 Deposited 2024-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded A1ISA 5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；293 K；25 mM HEPES pH 8, 150 mM NaCl, 10 % glycerol, 1 mM DTT 85mM Tris pH 7.6, 140 mM acetate, 23.5 % Polyethylene glycol 4,000, 18% glycerol
Resolution 3.16 Å R-free 0.256
9H47 EGFR wild type in complex with 26313 Deposited 2024-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded A1IR9 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；273 K；25 mM HEPES pH 8, 150 mM NaCl, 10 % glycerol, 1 mM DTT 85mM Tris pH 7.6, 140 mM acetate, 23.5 % Polyethylene glycol 4,000, 18% glycerol
Resolution 2.99 Å R-free 0.244
9HBO Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations. Compound 51 bound to EGFRinsNPG [V948R] Deposited 2024-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 695–1022（328 aa）
Mutation：V948R A1IUK 1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；PEG 8K 15%w/v , PCPT 0.1M pH 6.5
Resolution 2.45 Å R-free 0.255
9HBO Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations. Compound 51 bound to EGFRinsNPG [V948R] Deposited 2024-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 695–1022（328 aa）
Mutation：V948R A1IUK 1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；PEG 8K 15%w/v , PCPT 0.1M pH 6.5
Resolution 2.45 Å R-free 0.255
9IP7 Local refinement structure of sEGFR and 528 Fv (from HL-type bispecific diabody Ex3) complex Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 25–645（621 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.21 Å
9IP8 Poly-alanine model for HL-type bispecific diabody Ex3 composed of 528 and OKT3 Fvs in ternary complex with sEGFR and CD3gamma-epsilon (closed conformation) Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–645（621 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.91 Å
9IP9 Poly-alanine model for HL-type bispecific diabody Ex3 composed of 528 and OKT3 Fvs in ternary complex with sEGFR and CD3gamma-epsilon (middle conformation) Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–645（621 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.64 Å
9IPA Poly-alanine model for HL-type bispecific diabody Ex3 composed of 528 and OKT3 Fvs in ternary complex with sEGFR and CD3gamma-epsilon (open conformation) Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–645（621 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.85 Å
9IPB Local refinement structure of sEGFR and 528 Fv (from LH-type bispecific diabody Ex3) complex Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 25–645（621 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.93 Å
9IPC Poly-alanine model for LH-type bispecific diabody Ex3 composed of 528 and OKT3 Fvs in ternary complex with sEGFR and CD3gamma-epsilon (closed conformation) Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–645（621 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9IPD Poly-alanine model for LH-type bispecific diabody Ex3 composed of 528 and OKT3 Fvs in ternary complex with sEGFR and CD3gamma-epsilon (middle conformation) Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–645（621 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.29 Å
9IPE Poly-alanine model for LH-type bispecific diabody Ex3 composed of 528 and OKT3 Fvs in ternary complex with sEGFR and CD3gamma-epsilon (open conformation) Deposited 2024-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–645（621 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.31 Å
9JQ1 Crystal structure of EGFR T790M/C797S/L858R mutant in complex with 2,2-dichloro-N-(5-((5-chloro-4-((2-(dimethylphosphoryl)phenyl)amino)pyrimidin-2-yl)amino)-4-methoxy-2-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)acetamide Deposited 2024-09-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 694–1020（327 aa）
Mutation：T790M/C797S/L858R A1ECU 2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；289 K；1.35 M sodium citrate, 0.1 M CHES, pH 9.0
Resolution 3.02 Å R-free 0.274
9KL4 Crystal structure of EGFR complexed with N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide Deposited 2024-11-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Not recorded A1L53 N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；1.2 M K/Na-tartrate, 0.1 M HEPES pH 7.0
Resolution 2.32 Å R-free 0.238
9KLW Crystal structure of EGFR T790M, L858R mutant complexed with N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide Deposited 2024-11-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：T790M, L858R A1L53 N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.25；293 K；8.0% v/v ethylene glycol; 0.1 M HEPES pH 7.25; 10% w/v PEG 10K
Resolution 2.67 Å R-free 0.257
9MSR BDTX-1535 in complex with WT EGFR Deposited 2025-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Not recorded A1BRC N-[4-(3-chloro-2-fluoroanilino)-7-{[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-1-yl]ethynyl}quinazolin-6-yl]-4-(morpholin-4-yl)butanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.0 M sodium citrate, 0.1 M MES, 5.0 mM TCEP
Resolution 1.93 Å R-free 0.231
9MSS Limertinib in complex with WT EGFR Deposited 2025-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Not recorded A1BYO Limertinib. bound form × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.0 M sodium citrate, 0.1 MES, 5.0 mM TCEP
Resolution 2.09 Å R-free 0.237
9MST Befotertinib in complex with WT EGFR Deposited 2025-01-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Not recorded A1BYN Befotertinib, bound form × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.0 M sodium citrate, 0.1 M MES, 5 mM TCEP
Resolution 2.57 Å R-free 0.258
9NGP EGFR wildtype in complex with BI-4732 Deposited 2025-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Not recorded A1BX7 (6M)-1-{2-[(5S,8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1H-imidazo[4,5-c]pyridin-6-yl}-6-(4-methoxypyridin-3-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 MES, 1.0 M sodium citrate, 0.5 mM TCEP
Resolution 2.40 Å R-free 0.238
9NHW Oritinib in complex with WT EGFR Deposited 2025-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Not recorded A1BYD Oritinib, bound form × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 MES, 1.0 sodium citrate, 0.5 mM TCEP
Resolution 2.73 Å R-free 0.268
9NIS Alflutinib in complex with WT EGFR Deposited 2025-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Not recorded A1BYK Alflutinib, bound form × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M MES, 1.0 M sodium citrate, 0.5 mM TCEP
Resolution 2.23 Å R-free 0.262
9NJ7 Almonertinib in complex with WT EGFR Deposited 2025-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Not recorded A1BYL Almonertinib, bound form × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 mM MES, 1.0 M sodium citrate, 5 mM TCEP
Resolution 2.53 Å R-free 0.281
9NJN YK-029a in complex with WT EGFR Deposited 2025-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Not recorded A1BYS N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({(4M)-4-[(4S)-8-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amino)phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 mM MES, 1.0 M sodium citrate, 0.5 mM TCEP
Resolution 2.24 Å R-free 0.275
9NM0 AZ5104 (metabolite of AZD9291) in complex with WT EGFR Deposited 2025-03-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain (UNP residues 696-1022)
Not recorded VO7 N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M MES, 1.0 M sodium citrate, 0.5 mM TCEP
Resolution 2.59 Å R-free 0.247
9OLB Identification of ligands for E3 ligases using fragment-based methods Deposited 2025-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1198–1207（10 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；10-15% PEG 3350, 0.1 M Bis-TRIS pH 6.5
Resolution 2.62 Å R-free 0.276
9OS6 Canertinib (CI-1033) in complex with wild-type EGFR Deposited 2025-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Not recorded A1CEA Canertinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M MES, 1 M sodium citrate, 5 mM TCEP
Resolution 2.75 Å R-free 0.255
9OU9 AZD3759 in complex with wild-type EGFR Deposited 2025-05-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Not recorded A1CEL 4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M MES, 1 M sodium citrate, 5 mM TCEP
Resolution 2.10 Å R-free 0.237
9P9U EGFR-KDD with compound2 Deposited 2025-06-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1038（343 aa）
Chain A 688–1022（335 aa）
Not recorded 6JS 3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.27 Å
9PMZ Icotinib in complex with wild-type EGFR Deposited 2025-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Not recorded A1CI6 Icotinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M MES, 1 M sodium citrate, 5 mM TCEP
Resolution 2.33 Å R-free 0.234
9Q0S JCN037 in complex with wild-type EGFR Deposited 2025-08-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa） Fragment：kinase domain
Not recorded A1CNG N-(3-bromo-2-fluorophenyl)-7,8-dihydro[1,4]dioxino[2,3-g]quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M MES, 1 M sodium citrate, 5 mM TCEP
Resolution 2.46 Å R-free 0.241
9QXN Crystal Structure of wild-type EGFR in complex with the reversible inhibitor Sevabertinib (BAY 2927088) Deposited 2025-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 696–1022（327 aa）
Not recorded SIN SUCCINIC ACID × 2 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 1 A1JBI 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{S})-1,4-dioxan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；285 K；HEPES, sodium succinate
Resolution 2.14 Å R-free 0.210
9S3X EGFR (T790M,L858R) in complex with NCL-26007 Deposited 2025-07-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1019（324 aa）
Not recorded A1JLU 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethenyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.15M Sodium Citrate, 0.1M TRIS pH8.5, 25% PEG400
Resolution 2.42 Å R-free 0.246
9U8C Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114) Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 696–1022（327 aa）
Mutation：D770_N771insNPG A1L8T ~{N}-[5-[[6-[(3~{R})-3-[3,5-bis(fluoranyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-4-methoxy-phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；0.8M magnesium sulfate, 0.1M Tris pH8.5
Resolution 3.50 Å R-free 0.300
9U8C Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114) Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 696–1022（327 aa）
Mutation：D770_N771insNPG A1L8T ~{N}-[5-[[6-[(3~{R})-3-[3,5-bis(fluoranyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-4-methoxy-phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；0.8M magnesium sulfate, 0.1M Tris pH8.5
Resolution 3.50 Å R-free 0.300
9U8C Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114) Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 696–1022（327 aa）
Mutation：D770_N771insNPG A1L8T ~{N}-[5-[[6-[(3~{R})-3-[3,5-bis(fluoranyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-4-methoxy-phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；0.8M magnesium sulfate, 0.1M Tris pH8.5
Resolution 3.50 Å R-free 0.300
9U8C Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114) Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 696–1022（327 aa）
Mutation：D770_N771insNPG A1L8T ~{N}-[5-[[6-[(3~{R})-3-[3,5-bis(fluoranyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-4-methoxy-phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；0.8M magnesium sulfate, 0.1M Tris pH8.5
Resolution 3.50 Å R-free 0.300
9U8C Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114) Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 696–1022（327 aa）
Mutation：D770_N771insNPG No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293.15 K；0.8M magnesium sulfate, 0.1M Tris pH8.5
Resolution 3.50 Å R-free 0.300
9U91 Complex of compound 31r and EGFR Del19/T790M/C797S/V948R Deposited 2025-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 675–1022（348 aa）
Mutation：T790M/C797S/V948R A1EOG N-[6-[[2-[[5-ethyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-methyl-methanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M calcium chloride 0.1M MES 6.5 33% PEG400
Resolution 3.20 Å R-free 0.274
9VV1 Crystal structure of EGFR kinase (C797S) in complex with LN-B72 Deposited 2025-07-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 694–1022（329 aa）
Mutation：C797S A1ETY (4-fluorophenyl)-[4-[[4-(hydroxymethyl)cyclohexyl]amino]-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]methanone × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1M Succinic acid Ph7.0, 1% PEG2000 MME, 0.1M hepes pH 7.0
Resolution 2.95 Å R-free 0.281
9XU9 Crystal structure of EGFR T790M/C797S/L858R mutant in complex with (2-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide Deposited 2025-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 694–1022（329 aa）
Mutation：T790M,C797S,L858R A1E1C 5-chloranyl-~{N}4-(2-dimethylphosphorylphenyl)-~{N}2-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitro-phenyl]pyrimidine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；1M sodium citrate, 0.1M CHES ph 9.0
Resolution 2.84 Å R-free 0.294
9Z2H Crystal structure of A10 Fab in complex with the EGFR peptide Deposited 2025-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 310–327（18 aa）
Not recorded ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.8M NaH2PO4, 1.2M KH2PO4, 0.1M Na Acetate, pH 4.5
Resolution 2.45 Å R-free 0.223
9Z2H Crystal structure of A10 Fab in complex with the EGFR peptide Deposited 2025-11-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 310–327（18 aa）
Not recorded ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.8M NaH2PO4, 1.2M KH2PO4, 0.1M Na Acetate, pH 4.5
Resolution 2.45 Å R-free 0.223
9Z9E Structure of FabS1CE2_ER-3c in complex with the extracellular region of EGFR Deposited 2025-11-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 25–645（621 aa）
Mutation：residues 25-645 No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å R-free 0.243
9Z9F Structure of FabS1CE2_ER-2a in complex with the extracellular region of EGFR Deposited 2025-11-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 25–645（621 aa）
Mutation：residue 25-645 No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.06 Å R-free 0.249
9Z9F Structure of FabS1CE2_ER-2a in complex with the extracellular region of EGFR Deposited 2025-11-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 25–645（621 aa）
Mutation：residue 25-645 No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.06 Å R-free 0.249

383 other PDB entries and 564 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name EGFR_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 4–331； UniProt 695–1022 Author chain B； PDBConstruct 4–331； UniProt 695–1022 Author chain C； PDBConstruct 4–331； UniProt 695–1022 Author chain D； PDBConstruct 4–331； UniProt 695–1022

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 4zse

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4zse
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4zse
Deposition date deposition_date2015-05-13
Structure title titleCrystal structure of EGFR 696-1022 T790M/V948R, crystal form II
Keywords keywordsEGFR, T790M, V948R, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier33.88 Å
Radius of gyration Rg (electron density) rg_electron33.15 Å
Forward intensity I(0) i0291424000.00
Molecular weight molecular_weight139100.0 kDa
Excluded volume excluded_volume175000 ų
Envelope volume envelope_volume219280 ų
Hydration-shell volume shell_volume53493 ų
Envelope diameter envelope_diameter113.7 Å
Shell Rg shell_rg41.30 Å
Envelope Rg envelope_rg32.67 Å
Shape Rg shape_rg33.14 Å
Total Rg total_rg33.79 Å
Total atoms total_atoms9742
Residues n_residues1208
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax103.6 Å
Rg (real space) rg_real33.71 Å
Rg uncertainty (real space) rg_real_error0.73 Å
I(0) (real space) i0_real2.9140e+08
I(0) uncertainty (real space) i0_real_error4.3240e+06
Rg (reciprocal space) rg_reciprocal33.82 Å
I(0) (reciprocal space) i0_reciprocal291500000.0000
Solution quality estimate total_estimate0.9067
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary46.3 Å
Skewness Skewness skewness0.142
Kurtosis Kurtosis kurtosis-0.491
Angular range angular_range— – 0.2350 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha91760000.0000
Real-space data points n_real_points48
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.939; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.982
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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7. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd4zsea_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit
Domain ID domain_idd4zseb_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit
Domain ID domain_idd4zsec_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit
Domain ID domain_idd4zsed_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit

CATH v4.4 (8 domains)

Domain ID domain_id4zseA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id4zseA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id4zseB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id4zseB02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id4zseC01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id4zseC02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id4zseD01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id4zseD02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
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8. Citations (1)

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9. Files and Curves (10)