Current Protein Identity：P04626
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1MW4 Solution structure of the human Grb7-SH2 domain in complex with a 10 amino acid peptide pY1139 Deposited 2002-09-27 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1135–1144（10 aa）
Fragment：SH2 domain binding site
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.6；298 K；Ionic strength (raw mmCIF value) 100 mM NaCl；Pressure 1
NMR sample composition
0.7mM Grb7 SH2 U-15N, 13C, 50mM acetate | 90% H2O/10% D2O
|
Resolution not provided |
| 1N8Z Crystal structure of extracellular domain of human HER2 complexed with Herceptin Fab Deposited 2002-11-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain C
23–629（607 aa）
Fragment：extracellular domain
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；20-30% PEG 5000 MME, 0.1M MES pH6.5, 0.2M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.52 Å R-free 0.284 |
| 1QR1 POOR BINDING OF A HER-2/NEU EPITOPE (GP2) TO HLA-A2.1 IS DUE TO A LACK OF INTERACTIONS IN THE CENTER OF THE PEPTIDE Deposited 1999-06-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain C
654–662（9 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；14% PEG 6000, 25 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 2.40 Å R-free 0.284 |
| 1QR1 POOR BINDING OF A HER-2/NEU EPITOPE (GP2) TO HLA-A2.1 IS DUE TO A LACK OF INTERACTIONS IN THE CENTER OF THE PEPTIDE Deposited 1999-06-17 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain F
654–662（9 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；14% PEG 6000, 25 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 2.40 Å R-free 0.284 |
| 1S78 Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex Deposited 2004-01-29 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–646（624 aa）
Fragment：extracellular domain (residues 23-646)
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 3350, ammonium formate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.25 Å R-free 0.268 |
| 1S78 Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex Deposited 2004-01-29 | Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
23–646（624 aa）
Fragment：extracellular domain (residues 23-646)
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；PEG 3350, ammonium formate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.25 Å R-free 0.268 |
| 2A91 Crystal structure of ErbB2 domains 1-3 Deposited 2005-07-11 | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
22–530（509 aa）
Fragment：residues 1-510 + FLAG peptide
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；PEG 1500, glycerol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.50 Å R-free 0.264 |
| 2JWA ErbB2 transmembrane segment dimer spatial structure Deposited 2007-10-09 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
641–684（44 aa）
Fragment：UNP residues 641-684
Chain B
641–684（44 aa）
Fragment：UNP residues 641-684
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 5；313 K；Pressure ambient
NMR sample composition
2.0mM [U-15N] ErbB2, 64mM [U-2H] DHPC, 16mM [U-2H] DMPC, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition
2.0mM [U-13C; U-15N] ErbB2, 64mM [U-2H] DHPC, 16mM [U-2H] DMPC, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition
1.0mM [U-13C; U-15N] ErbB2, 64mM [U-2H] DHPC, 16mM [U-2H] DMPC, 1.0mM ErbB2, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 2KS1 Heterodimeric association of Transmembrane domains of ErbB1 and ErbB2 receptors Enabling Kinase Activation Deposited 2009-12-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
641–684（44 aa）
Fragment：ErbB2TM domain, UNP residues 641-684
|
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 |
| 2L4K Water refined solution structure of the human Grb7-SH2 domain in complex with the 10 amino acid peptide pY1139 Deposited 2010-10-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1135–1144（10 aa）
Fragment：unp residues 1135-1144
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.6；298 K；Pressure ambient
NMR sample composition
0.6-0.8 mM [U-100% 13C; U-100% 15N] Grb7-SH2 domain-1, 0.6-0.8 mM [U-100% 13C; U-100% 15N] pY1139 peptide-2, 52.2 mM acetic acid-3, 100 mM sodium chloride-4, 5 mM DTT-5, 1 mM EDTA-6, 0.9 mM sodium azide-7, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2N2A Spatial structure of HER2/ErbB2 dimeric transmembrane domain in the presence of cytoplasmic juxtamembrane domains Deposited 2015-05-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
644–700（57 aa）
Fragment：transmembrane domain (UNP residues 644-700)
Chain B
644–700（57 aa）
Fragment：transmembrane domain (UNP residues 644-700)
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 3.5；318 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition
4 mM [U-100% 2H] DPC, 1 mM [U-100% 13C; U-100% 15N] labeled protein, 1 mM unlabeled protein, 50 mM sodium acetate, 0.1 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
4 mM [U-100% 2H] DPC, 1 mM [U-100% 13C; U-100% 15N] labeled protein, 50 mM sodium acetate, 0.1 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
4 mM [U-100% 2H] DPC, 1 mM [U-100% 13C; U-100% 15N] labeled protein, 50 mM sodium acetate, 0.1 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 3BE1 Dual specific bH1 Fab in complex with the extracellular domain of HER2/ErbB-2 Deposited 2007-11-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–646（624 aa）
Fragment：sequence database residues 23-646
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；Crystals of the Fab/HER2 complex were obtained by mixing protein solution (11 mg/ml protein, 25 mM Tris-HCl pH 8 and 150 mM sodium chloride) with crystallization buffer containing 25% w/v PEG2000, 0.1M MES pH 6.5. Before data collection the crystals were flash frozen in liquid nitrogen with 20% Ethylene Glycol as cryo-protectant, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
Resolution 2.90 Å R-free 0.277 |
| 3H3B Crystal structure of the single-chain Fv (scFv) fragment of an anti-ErbB2 antibody chA21 in complex with residues 1-192 of ErbB2 extracellular domain Deposited 2009-04-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
23–214（192 aa）
Fragment：extracellular domain, UNP residues 23-214
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；15% polyethylene glycol 4000, 100mM 3-(1-pyridino)-1-propane sulfonate, 100mM Na cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
|
Resolution 2.45 Å R-free 0.255 |
| 3H3B Crystal structure of the single-chain Fv (scFv) fragment of an anti-ErbB2 antibody chA21 in complex with residues 1-192 of ErbB2 extracellular domain Deposited 2009-04-16 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
23–214（192 aa）
Fragment：extracellular domain, UNP residues 23-214
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；15% polyethylene glycol 4000, 100mM 3-(1-pyridino)-1-propane sulfonate, 100mM Na cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
|
Resolution 2.45 Å R-free 0.255 |
| 3MZW HER2 extracelluar region with affinity matured 3-helix affibody ZHER2:342 Deposited 2010-05-13 | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
23–646（624 aa）
Fragment：Extracellular domain residues 23-646
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；279 K；0.05M sodium chloride, 7.5% PEG3350, 0.1M ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 279K
|
Resolution 2.90 Å R-free 0.278 |
| 3N85 Crystallographic trimer of HER2 extracellular regions in complex with tryptophan-rich antibody fragment Deposited 2010-05-27 | Assembly 1 Other combination Heteromer；Protein × 9 PDB declaration: nonameric（9） Consistent with protein count |
Chain A
23–646（624 aa）
Fragment：UNP residues 23-646
|
Not recorded | CL CHLORIDE ION × 3 SO4 SULFATE ION × 48 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；NaCl, Na/K-phosphate, Li-sulfate, pH 7.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.20 Å R-free 0.230 |
| 3PP0 Crystal Structure of the Kinase domain of Human HER2 (erbB2). Deposited 2010-11-23 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
706–1009（304 aa）
Fragment：kinase domain, residues 706-1009
|
Mutation：M706A, Q711L, M712L | 03Q 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；20% PEG 3550, 200mM di-Ammonium Tartrate, 100 mM PIPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
|
Resolution 2.25 Å R-free 0.260 |
| 3PP0 Crystal Structure of the Kinase domain of Human HER2 (erbB2). Deposited 2010-11-23 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
706–1009（304 aa）
Fragment：kinase domain, residues 706-1009
|
Mutation：M706A, Q711L, M712L | 03Q 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；20% PEG 3550, 200mM di-Ammonium Tartrate, 100 mM PIPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
|
Resolution 2.25 Å R-free 0.260 |
| 3RCD HER2 Kinase Domain Complexed with TAK-285 Deposited 2011-03-30 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
713–1028（316 aa）
Fragment：UNP residues 713-1028
|
Not recorded | 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；298 K；20% PEG 3550, 200MM DI-AMMONIUM TARTRATE, 100 MM PIPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.21 Å R-free 0.294 |
| 3RCD HER2 Kinase Domain Complexed with TAK-285 Deposited 2011-03-30 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
713–1028（316 aa）
Fragment：UNP residues 713-1028
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；20% PEG 3550, 200MM DI-AMMONIUM TARTRATE, 100 MM PIPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.21 Å R-free 0.294 |
| 3RCD HER2 Kinase Domain Complexed with TAK-285 Deposited 2011-03-30 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
713–1028（316 aa）
Fragment：UNP residues 713-1028
|
Not recorded | 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；298 K；20% PEG 3550, 200MM DI-AMMONIUM TARTRATE, 100 MM PIPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.21 Å R-free 0.294 |
| 3RCD HER2 Kinase Domain Complexed with TAK-285 Deposited 2011-03-30 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
713–1028（316 aa）
Fragment：UNP residues 713-1028
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；20% PEG 3550, 200MM DI-AMMONIUM TARTRATE, 100 MM PIPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.21 Å R-free 0.294 |
| 3RCD HER2 Kinase Domain Complexed with TAK-285 Deposited 2011-03-30 | Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
713–1028（316 aa）
Fragment：UNP residues 713-1028
Chain B
713–1028（316 aa）
Fragment：UNP residues 713-1028
|
Not recorded | 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；298 K；20% PEG 3550, 200MM DI-AMMONIUM TARTRATE, 100 MM PIPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.21 Å R-free 0.294 |
| 3RCD HER2 Kinase Domain Complexed with TAK-285 Deposited 2011-03-30 | Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
713–1028（316 aa）
Fragment：UNP residues 713-1028
Chain D
713–1028（316 aa）
Fragment：UNP residues 713-1028
|
Not recorded | 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；298 K；20% PEG 3550, 200MM DI-AMMONIUM TARTRATE, 100 MM PIPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 3.21 Å R-free 0.294 |
| 3WLW Molecular Architecture of the ErbB2 Extracellular Domain Homodimer Deposited 2013-11-15 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–586（564 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.7；291 K；0.1M Ammonium acetate, 0.1M BIS-TRIS pH 5.7, 13% w/v Polyethylene glycol 10000, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K
|
Resolution 3.09 Å R-free 0.269 |
| 3WLW Molecular Architecture of the ErbB2 Extracellular Domain Homodimer Deposited 2013-11-15 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
23–586（564 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.7；291 K；0.1M Ammonium acetate, 0.1M BIS-TRIS pH 5.7, 13% w/v Polyethylene glycol 10000, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K
|
Resolution 3.09 Å R-free 0.269 |
| 3WSQ Structure of HER2 with an Fab Deposited 2014-03-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–586（564 aa）
Fragment：UNP residues 23-586
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.1M sodium malonate pH 7.0, 0.1M HEPES 7.0, 0.5% v/v Jeffamine ED-2001, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 3.50 Å R-free 0.258 |
| 4HRL Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2 Deposited 2012-10-28 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
24–219（196 aa）
Fragment：N-terminal extracellular domain I, UNP RESIDUES 24-219
|
Mutation：N46D, N102D, N165D | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.6；293 K；0.2M ammonium acetate, 0.1M sodium citrate, 30% PEG 4000, pH 5.6, vapor diffusion, temperature 293K
|
Resolution 2.55 Å R-free 0.253 |
| 4HRM Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2 Deposited 2012-10-28 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
24–219（196 aa）
Fragment：N-terminal extracellular domain I, UNP RESIDUES 24-219
Chain C
24–219（196 aa）
Fragment：N-terminal extracellular domain I, UNP RESIDUES 24-219
|
Mutation：N46D, N102D, N165D Mutation：N46D, N102D, N165D | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4.2；293 K；0.2 M sodium chloride, 0.1 M phosphate citrate, 20% PEG 8000, pH 4.2, vapor diffusion, temperature 293K
|
Resolution 3.20 Å R-free 0.339 |
| 4HRN Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2 Deposited 2012-10-28 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain C
529–625（97 aa）
Fragment：Domain IV, UNP RESIDUES 529-625
Chain D
529–625（97 aa）
Fragment：Domain IV, UNP RESIDUES 529-625
|
Mutation：N8D, N49D Mutation：N8D, N49D | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；293 K；0.05M succinic acid, 29% ammonium sulfate, pH 4.0, vapor diffusion, temperature 293K
|
Resolution 2.65 Å R-free 0.249 |
| 4HRN Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2 Deposited 2012-10-28 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
529–625（97 aa）
Fragment：Domain IV, UNP RESIDUES 529-625
|
Mutation：N8D, N49D | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；293 K；0.05M succinic acid, 29% ammonium sulfate, pH 4.0, vapor diffusion, temperature 293K
|
Resolution 2.65 Å R-free 0.249 |
| 4HRN Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2 Deposited 2012-10-28 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
529–625（97 aa）
Fragment：Domain IV, UNP RESIDUES 529-625
|
Mutation：N8D, N49D | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；293 K；0.05M succinic acid, 29% ammonium sulfate, pH 4.0, vapor diffusion, temperature 293K
|
Resolution 2.65 Å R-free 0.249 |
| 4NND Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites Deposited 2013-11-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain F
1109–1114（6 aa）
Fragment：phosphorylated peptide (UNP residues 1109-1114)
|
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 6.8；293 K；0.1 M HEPES, 25% PEG3350, 6% Jeffamine M-600, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.291 |
| 4NND Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites Deposited 2013-11-17 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
1109–1114（6 aa）
Fragment：phosphorylated peptide (UNP residues 1109-1114)
|
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 6.8；293 K；0.1 M HEPES, 25% PEG3350, 6% Jeffamine M-600, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.291 |
| 4NND Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites Deposited 2013-11-17 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1109–1114（6 aa）
Fragment：phosphorylated peptide (UNP residues 1109-1114)
|
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 6.8；293 K；0.1 M HEPES, 25% PEG3350, 6% Jeffamine M-600, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.291 |
| 4NND Structural basis of PTPN18 fingerprint on distinct HER2 tyrosine phosphorylation sites Deposited 2013-11-17 | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain H
1109–1114（6 aa）
Fragment：phosphorylated peptide (UNP residues 1109-1114)
|
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 6.8；293 K；0.1 M HEPES, 25% PEG3350, 6% Jeffamine M-600, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.291 |
| 5K33 Crystal structure of extracellular domain of HER2 in complex with Fcab STAB19 Deposited 2016-05-19 | Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain C
23–629（607 aa）
|
Not recorded | GOL GLYCEROL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；0.05 M MES,
10% w/v PEG3350
|
Resolution 3.30 Å R-free 0.271 |
| 5KWG Crystal structure of extracellular domain of HER2 in complex with Fcab H10-03-6 Deposited 2016-07-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain C
23–653（631 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；50 mM Citric acid,
18% (w/v) PEG 3350
|
Resolution 4.30 Å R-free 0.369 |
| 5MY6 Crystal structure of a HER2-Nb complex Deposited 2017-01-25 | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
24–645（622 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.25；293.15 K；100 mM HEPES pH 7.25, 10% 2-propanol, 22% PEG 4000
|
Resolution 2.25 Å R-free 0.220 |
| 5O4G HER2 in complex with Fab MF3958 Deposited 2017-05-29 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain C
23–628（606 aa）
Fragment：UNP residues 23-628
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；0.1 M MES pH 6.0, 15% PEG 6000
|
Resolution 3.00 Å R-free 0.271 |
| 5OB4 NMR spatial structure of HER2 TM domain dimer in DPC micelles. Deposited 2017-06-26 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
31–74（44 aa）
Fragment：UNP residues 31-74
Chain B
31–74（44 aa）
Fragment：UNP residues 31-74
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6；313 K；Ionic strength (raw mmCIF value) 30；Pressure AMBIENT
NMR sample composition
2.5 mM [U-100% 13C; U-100% 15N] HER2TM, 2.5 mM HER2TM, 200 mM [U-99% 2H] DPC, 20 mM potassium phosphate, 0.01 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 6ATT 39S Fab bound to HER2 ecd Deposited 2017-08-29 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–652（630 aa）
Fragment：UNP residues 23-652
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；295 K；PEG8000, ethylene glycol, MES buffer
|
Resolution 3.77 Å R-free 0.289 |
| 6BGT Structure of Trastuzumab Fab mutant in complex with Her2 extracellular domain Deposited 2017-10-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain C
1–652（652 aa）
Fragment：UNP residues 1-652
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；293 K；100 mM MES, pH 6.5, 18% PEG3350, 10% glycerol
|
Resolution 2.70 Å R-free 0.247 |
| 6J71 HuA21-scFv in complex with the extracellular domain(ECD) of HER2 Deposited 2019-01-16 | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
22–639（618 aa）
|
Not recorded | BMA beta-D-mannopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；0.1 M MES monohydrate pH 6.5, 12% (w/v) PEG 20,000
|
Resolution 2.92 Å R-free 0.267 |
| 6LBX Crystal structure of HER2 Domain IV and Rb-H2 Deposited 2019-11-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
531–626（96 aa）
Fragment：Domain IV
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；290 K；0.1M Sodium Citrate/Citric Acid (pH 5.5), 20% PEG 3000
|
Resolution 2.03 Å R-free 0.228 |
| 6OGE Cryo-EM structure of Her2 extracellular domain-Trastuzumab Fab-Pertuzumab Fab complex Deposited 2019-04-02 | Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric（5） Consistent with protein count |
Chain A
23–644（622 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.36 Å |
| 7JXH HER2 in complex with JBJ-08-178-01 Deposited 2020-08-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
703–1024（322 aa）
Fragment：kinase domain
|
Not recorded | VOY (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350
|
Resolution 3.27 Å R-free 0.285 |
| 7JXH HER2 in complex with JBJ-08-178-01 Deposited 2020-08-27 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
703–1024（322 aa）
Fragment：kinase domain
|
Not recorded | VOY (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350
|
Resolution 3.27 Å R-free 0.285 |
| 7JXH HER2 in complex with JBJ-08-178-01 Deposited 2020-08-27 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
703–1024（322 aa）
Fragment：kinase domain
|
Not recorded | VOY (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350
|
Resolution 3.27 Å R-free 0.285 |
| 7JXH HER2 in complex with JBJ-08-178-01 Deposited 2020-08-27 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
703–1024（322 aa）
Fragment：kinase domain
|
Not recorded | VOY (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350
|
Resolution 3.27 Å R-free 0.285 |
| 7JXH HER2 in complex with JBJ-08-178-01 Deposited 2020-08-27 | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain E
703–1024（322 aa）
Fragment：kinase domain
|
Not recorded | VOY (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350
|
Resolution 3.27 Å R-free 0.285 |
| 7JXH HER2 in complex with JBJ-08-178-01 Deposited 2020-08-27 | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain F
703–1024（322 aa）
Fragment：kinase domain
|
Not recorded | VOY (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350
|
Resolution 3.27 Å R-free 0.285 |
| 7JXH HER2 in complex with JBJ-08-178-01 Deposited 2020-08-27 | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain G
703–1024（322 aa）
Fragment：kinase domain
|
Not recorded | VOY (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350
|
Resolution 3.27 Å R-free 0.285 |
| 7JXH HER2 in complex with JBJ-08-178-01 Deposited 2020-08-27 | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain H
703–1024（322 aa）
Fragment：kinase domain
|
Not recorded | VOY (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M PIPES pH 6.5, 0.3 M ammonium tartrate, 25% (w/v) PEG 3350
|
Resolution 3.27 Å R-free 0.285 |
| 7MN5 Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain Deposited 2021-04-30 | Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
1–1029（1029 aa）
Fragment：Extracellular Domain
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.93 Å |
| 7MN6 Structure of the HER2 S310F/HER3/NRG1b Heterodimer Extracellular Domain Deposited 2021-04-30 | Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
1–1029（1029 aa）
Fragment：Extracellular Domain
|
Mutation：S310F | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.09 Å |
| 7MN8 Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain bound to Trastuzumab Fab Deposited 2021-04-30 | Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric（5） Consistent with protein count |
Chain B
1–1029（1029 aa）
|
Mutation：S310F | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.45 Å |
| 7PCD HER2 IN COMPLEX WITH A COVALENT INHIBITOR Deposited 2021-08-03 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
703–1029（327 aa）
Fragment：NONE
|
Not recorded | 70I 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.75；293 K；18% PEG3350, 50mM ammonium tartrate, 150mM sodium tartrate and 100mM BIS-TRIS
|
Resolution 1.77 Å R-free 0.241 |
| 7QVK NM-02 in complex with HER2-ECD Deposited 2022-01-21 | Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain AAA
23–646（624 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；13% PEG6000 (w/v), 0.1 M MES pH 6.5, 7% 2-methyl-2,4-pentanediol
|
Resolution 3.10 Å R-free 0.330 |
| 8FFJ Structure of Zanidatamab bound to HER2 Deposited 2022-12-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain X
23–644（622 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 7.50 Å |
| 8HGO The EGF-bound EGFR/HER2 ectodomain complex Deposited 2022-11-15 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
1–693（693 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 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
1–693（693 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 |
| 8JYR Crystal structure of anti-HER2 antibody H2Mab-119 in complex with HER2 domain I Deposited 2023-07-03 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–216（194 aa）
Fragment：domain I
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Sodium citrate pH5.5, 20% w/v PEG3000
|
Resolution 1.69 Å R-free 0.209 |
| 8PWH Atomic structure and conformational variability of the HER2-Trastuzumab-Pertuzumab complex Deposited 2023-07-20 | Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric（5） Consistent with protein count |
Chain E
23–646（624 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.17 Å |
| 8Q6J Atomic structure and conformational variability of the HER2-Trastuzumab-Pertuzumab complex Deposited 2023-08-11 | Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric（5） Consistent with protein count |
Chain E
23–646（624 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.30 Å |
| 8U4K Structure of the HER2/HER4/BTC Heterodimer Extracellular Domain Deposited 2023-09-10 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
24–629（606 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.27 Å |
| 8U4L Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain Deposited 2023-09-10 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain B
24–629（606 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.31 Å |
| 8U8X crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27 Deposited 2023-09-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
694–1029（336 aa）
Fragment：kinase domain
|
Mutation：YVMA inserted after residue 84 | W9N 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；8% PEG 3350,
0.1M Tris pH8.5,
0.5M NaCl
|
Resolution 1.69 Å R-free 0.203 |
| 8VB5 Crystal structure of kinase domain of HER2 Exon 20 insertion mutant in complex with tucatinib Deposited 2023-12-12 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
703–1029（327 aa）
|
Not recorded | A1AAC Tucatinib × 1 EDO 1,2-ETHANEDIOL × 6 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M Bicine pH 8.5, 11% w/v
PEG 1500, 0.5mM Tucatinib
|
Resolution 1.48 Å R-free 0.187 |
| 8VQD HER2 S310F in complex with TL1 Fab Deposited 2024-01-18 | Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–652（630 aa）
|
Mutation：S310F | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5；20mM Tris, 150mM NaCl, 0.7mM fluorinated octyl maltoside
cryo-EM vitrification conditions
Cryogen ETHANE；Vitrification carried out with blot force 5, blot time 4 s
|
Resolution 2.61 Å |
| 8VQE Homodimeric structure of HER2 S310F extracellular region Deposited 2024-01-18 | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
23–652（630 aa）
Chain B
23–652（630 aa）
|
Mutation：S310F Mutation：S310F | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5；20mM Tris, 150mM NaCl, 0.7mM Fluorinated octyl maltoside
cryo-EM vitrification conditions
Cryogen ETHANE；Vitrified
|
Resolution 2.67 Å |
| 9IUT Crystal structure of cancer-specific anti-HER2 antibody H2Mab-250 in complex with epitope peptide Deposited 2024-07-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain C
611–618（8 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.2 M MgCl2, 0.1 M Bis-Tris pH 5.7, 25% w/v PEG 3350
|
Resolution 2.09 Å R-free 0.236 |
| 9IUT Crystal structure of cancer-specific anti-HER2 antibody H2Mab-250 in complex with epitope peptide Deposited 2024-07-22 | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain F
611–618（8 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；0.2 M MgCl2, 0.1 M Bis-Tris pH 5.7, 25% w/v PEG 3350
|
Resolution 2.09 Å R-free 0.236 |
| 9L1S Structure of the HER2 (S310F) - pertuzumab (T30S/D31A) complex Deposited 2024-12-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–652（630 aa）
|
Mutation：S310F | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |
| 9MTE CryoEM structure of extracellular domain of human HER2 complexed with two nano-bodies 27A05 and 47D05 Deposited 2025-01-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain C
23–652（630 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5；50 mM Hepes pH7.5, 150 mM NaCl
cryo-EM vitrification conditions
Cryogen ETHANE；BF4 Bt4
|
Resolution 2.66 Å |
| 9MTX CryoEM structure of extracellular domain of human HER2 complexed with nano-bodies 29E09 Deposited 2025-01-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
23–652（630 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5；50 mM Hepes pH7.5, 150 mM NaCl
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.06 Å |
| 9QBF HER2/ErbB2 extracellular domain (ECD) in compact conformation in complex with trastuzumab (TZB) antibody Deposited 2025-03-02 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
23–1029（1007 aa）
|
Mutation：Del1-22,Del1030-1255,C789S,C805S,C965S. | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 9QBG HER2/ErbB2 extracellular domain (ECD) in extended conformation in complex with trastuzumab (TZB) antibody Deposited 2025-03-02 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
23–1029（1007 aa）
|
Mutation：Del1-22,Del1030-1255,C789S,C805S,C965S. | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.60 Å |
| 9QBH HER2/ErbB2 extracellular domain (ECD) from a near full-length construct solubilized in amphipols. Deposited 2025-03-02 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
23–1029（1007 aa）
|
Mutation：Del1-22,Del1030-1255,C789S,C805S,C965S. | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.77 Å |
| 9T3R Structure of human HER2 in complex with EPS232 Fab Deposited 2025-10-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–652（630 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å |
| 9T3S Structure of human HER2 in complex with EPS226 Fab Deposited 2025-10-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
23–652（630 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.00 Å |