Epidermal growth factor receptor
Homo sapiens
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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 696–1020 | Fragment：KINASE DOMAIN | 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 |
| 2 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 696–1020 | Fragment：KINASE DOMAIN | 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 |
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 4LI5 | 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 ligand/ion 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 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）
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 |
| 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 |
| 4ZSE Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II Deposited 2015-05-13 | 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：UNP RESIDUES 695-1022
Chain D
695–1022（328 aa）
Fragment：UNP RESIDUES 695-1022
|
Mutation：T790M, V948R 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 |
| 4ZSE Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II Deposited 2015-05-13 | 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）
Fragment：UNP RESIDUES 695-1022
Chain C
695–1022（328 aa）
Fragment：UNP RESIDUES 695-1022
|
Mutation：T790M, V948R 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 |
| 5C8K EGFR kinase domain mutant "TMLR" with compound 1 Deposited 2015-06-25 | Different construct Different mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification 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 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 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 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 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 | 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 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 | 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 | 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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）
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 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：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 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 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 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）
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 mutation/modification 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 mutation/modification 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 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：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 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）
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 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：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 mutation/modification 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 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：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 mutation/modification 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 mutation/modification 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 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：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 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 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 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）
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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, 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 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 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 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 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 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 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 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 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 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）
|
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 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）
|
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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 4–328； UniProt 696–1020 |
