Current Protein Identity：P00523
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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 |
|---|---|---|---|---|---|---|---|
| 1F1W SRC SH2 THREF1TRP MUTANT COMPLEXED WITH THE PHOSPHOPEPTIDE S(PTR)VNVQN Deposited 2000-05-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
144–246（103 aa）
Fragment：SRC SH2 DOMAIN
|
Mutation：T215W | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；1.2 M Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.10 Å R-free 0.257 |
| 1F1W SRC SH2 THREF1TRP MUTANT COMPLEXED WITH THE PHOSPHOPEPTIDE S(PTR)VNVQN Deposited 2000-05-20 | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
144–246（103 aa）
Fragment：SRC SH2 DOMAIN
|
Mutation：T215W | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；1.2 M Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.10 Å R-free 0.257 |
| 1F1W SRC SH2 THREF1TRP MUTANT COMPLEXED WITH THE PHOSPHOPEPTIDE S(PTR)VNVQN Deposited 2000-05-20 | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
144–246（103 aa）
Fragment：SRC SH2 DOMAIN
|
Mutation：T215W | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；1.2 M Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.10 Å R-free 0.257 |
| 1F2F SRC SH2 THREF1TRP MUTANT Deposited 2000-05-24 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
144–246（103 aa）
Fragment：SH2 DOMAIN
|
Mutation：T215W | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；PEG 4000, sodium acetate,sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
|
Resolution 1.70 Å R-free 0.240 |
| 1P13 Crystal Structure of the Src SH2 Domain Complexed with Peptide (SDpYANFK) Deposited 2003-04-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
144–245（102 aa）
Fragment：SH2 DOMAIN
|
Not recorded | CAC CACODYLATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；PEG 8000, sodium acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.63 Å R-free 0.252 |
| 1P13 Crystal Structure of the Src SH2 Domain Complexed with Peptide (SDpYANFK) Deposited 2003-04-11 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
144–245（102 aa）
Fragment：SH2 DOMAIN
|
Not recorded | CAC CACODYLATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；PEG 8000, sodium acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.63 Å R-free 0.252 |
| 1PRL TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS Deposited 1994-10-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
76–139（64 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 1PRM TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS Deposited 1994-10-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
76–139（64 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 1RLP TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS Deposited 1994-10-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
76–139（64 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 1RLQ TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS Deposited 1994-10-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
76–139（64 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 1SRL 1H AND 15N ASSIGNMENTS AND SECONDARY STRUCTURE OF THE SRC SH3 DOMAIN Deposited 1994-03-07 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
76–139（64 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 1SRM 1H AND 15N ASSIGNMENTS AND SECONDARY STRUCTURE OF THE SRC SH3 DOMAIN Deposited 1994-03-07 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
76–139（64 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR | mmCIF provides none of the parsed conditions | Resolution not provided |
| 2HWO Crystal structure of Src kinase domain in complex with covalent inhibitor Deposited 2006-08-01 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
250–532（283 aa）
|
Not recorded | RBS N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.50 Å R-free 0.292 |
| 2HWO Crystal structure of Src kinase domain in complex with covalent inhibitor Deposited 2006-08-01 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
250–532（283 aa）
|
Not recorded | RBS N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.50 Å R-free 0.292 |
| 2HWP Crystal structure of Src kinase domain in complex with covalent inhibitor PD168393 Deposited 2006-08-01 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
250–532（283 aa）
|
Not recorded | DJK N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；323 K；VAPOR DIFFUSION, HANGING DROP, temperature 323K
|
Resolution 2.48 Å R-free 0.276 |
| 2HWP Crystal structure of Src kinase domain in complex with covalent inhibitor PD168393 Deposited 2006-08-01 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
250–532（283 aa）
|
Not recorded | DJK N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；323 K；VAPOR DIFFUSION, HANGING DROP, temperature 323K
|
Resolution 2.48 Å R-free 0.276 |
| 2OIQ Crystal Structure of chicken c-Src kinase domain in complex with the cancer drug imatinib. Deposited 2007-01-11 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
250–532（283 aa）
Fragment：KINASE DOMAIN
|
Not recorded | STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 4% glycerol, 12% PEG 4000, 50 mM sodium acetate, pH 6.5, VAPOR DIFFUSION, temperature 298K
|
Resolution 2.07 Å R-free 0.263 |
| 2OIQ Crystal Structure of chicken c-Src kinase domain in complex with the cancer drug imatinib. Deposited 2007-01-11 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
250–532（283 aa）
Fragment：KINASE DOMAIN
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；0.1M MES, 4% glycerol, 12% PEG 4000, 50 mM sodium acetate, pH 6.5, VAPOR DIFFUSION, temperature 298K
|
Resolution 2.07 Å R-free 0.263 |
| 2PTK CHICKEN SRC TYROSINE KINASE Deposited 1997-06-17 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
80–532（453 aa）
Fragment：SH3/SH2/KINASE/C-TERMINAL TAIL
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 8.2；16% PEG-2000 10% PEG-400 100MM TRIS PH=8.2 300MM NACL 1MM EDTA 1MM DTT 1MM AZIDE
|
Resolution 2.35 Å R-free 0.292 |
| 2QI8 Crystal structure of drug resistant SRC kinase domain Deposited 2007-07-03 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：T338M, S345C | GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；19% Ethylene glycol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.32 Å R-free 0.280 |
| 2QI8 Crystal structure of drug resistant SRC kinase domain Deposited 2007-07-03 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：T338M, S345C | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；19% Ethylene glycol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.32 Å R-free 0.280 |
| 2QLQ Crystal structure of SRC kinase domain with covalent inhibitor RL3 Deposited 2007-07-13 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Protein kinase domain
|
Mutation：S345C | SR2 (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；16% Ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.33 Å R-free 0.267 |
| 2QLQ Crystal structure of SRC kinase domain with covalent inhibitor RL3 Deposited 2007-07-13 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Protein kinase domain
|
Mutation：S345C | SR2 (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；16% Ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.33 Å R-free 0.267 |
| 2QQ7 Crystal structure of drug resistant SRC kinase domain with irreversible inhibitor Deposited 2007-07-26 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Protein kinase domain
|
Mutation：T338M, S345C | SR2 (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；16% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.38 Å R-free 0.266 |
| 2QQ7 Crystal structure of drug resistant SRC kinase domain with irreversible inhibitor Deposited 2007-07-26 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Protein kinase domain
|
Mutation：T338M, S345C | SR2 (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；16% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.38 Å R-free 0.266 |
| 3D7T Structural basis for the recognition of c-Src by its inactivator Csk Deposited 2008-05-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
258–533（276 aa）
Fragment：c-Src kinase domain
|
Not recorded | STU STAUROSPORINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.90 Å R-free 0.278 |
| 3D7T Structural basis for the recognition of c-Src by its inactivator Csk Deposited 2008-05-21 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
258–533（276 aa）
Fragment：c-Src kinase domain
|
Not recorded | STU STAUROSPORINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.90 Å R-free 0.278 |
| 3D7U Structural basis for the recognition of c-Src by its inactivator Csk Deposited 2008-05-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
260–523（264 aa）
Fragment：c-Src kinase domain
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 4.11 Å R-free 0.302 |
| 3D7U Structural basis for the recognition of c-Src by its inactivator Csk Deposited 2008-05-21 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
260–523（264 aa）
Fragment：c-Src kinase domain
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 4.11 Å R-free 0.302 |
| 3DQW c-Src kinase domain Thr338Ile mutant in complex with ATPgS Deposited 2008-07-09 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：chicken c-Src kinase domain 251-533
|
Mutation：T338I Non-standard monomer：Yes (specific site not provided by mmCIF) | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；10% PEG 4000, 50 mM Ammonium acetate, 100 mM Bis-Tris pH 5.5, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.02 Å R-free 0.245 |
| 3DQW c-Src kinase domain Thr338Ile mutant in complex with ATPgS Deposited 2008-07-09 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：chicken c-Src kinase domain 251-533
|
Mutation：T338I Non-standard monomer：Yes (specific site not provided by mmCIF) | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；10% PEG 4000, 50 mM Ammonium acetate, 100 mM Bis-Tris pH 5.5, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.02 Å R-free 0.245 |
| 3DQW c-Src kinase domain Thr338Ile mutant in complex with ATPgS Deposited 2008-07-09 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
251–533（283 aa）
Fragment：chicken c-Src kinase domain 251-533
|
Mutation：T338I Non-standard monomer：Yes (specific site not provided by mmCIF) | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；10% PEG 4000, 50 mM Ammonium acetate, 100 mM Bis-Tris pH 5.5, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.02 Å R-free 0.245 |
| 3DQW c-Src kinase domain Thr338Ile mutant in complex with ATPgS Deposited 2008-07-09 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
251–533（283 aa）
Fragment：chicken c-Src kinase domain 251-533
|
Mutation：T338I Non-standard monomer：Yes (specific site not provided by mmCIF) | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；10% PEG 4000, 50 mM Ammonium acetate, 100 mM Bis-Tris pH 5.5, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.02 Å R-free 0.245 |
| 3DQX chicken c-Src kinase domain in complex with ATPgS Deposited 2008-07-09 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：chicken c-Src kinase domain 251-533
|
Not recorded | AMP ADENOSINE MONOPHOSPHATE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；10% PEG 4000, 50 mM Ammonium acetate, 100 mM Bis-Tris pH 5.5, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.241 |
| 3DQX chicken c-Src kinase domain in complex with ATPgS Deposited 2008-07-09 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：chicken c-Src kinase domain 251-533
|
Not recorded | AMP ADENOSINE MONOPHOSPHATE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；10% PEG 4000, 50 mM Ammonium acetate, 100 mM Bis-Tris pH 5.5, 5% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.241 |
| 3EL7 Crystal structure of c-Src in complex with pyrazolopyrimidine 3 Deposited 2008-09-20 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Protein kinase domain: UNP residues 251-533
|
Not recorded | PD3 1-{3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；287 K；100mM NaCl, 10mM Tris-HCl, 5% Glycerol, 2mM DTT, 4% DMSO, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.80 Å R-free 0.288 |
| 3EL8 Crystal structure of c-Src in complex with pyrazolopyrimidine 5 Deposited 2008-09-20 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Protein kinase domain: UNP residues 251-533
|
Not recorded | PD5 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；287 K；100 mM NaCl, 10 mM Tris-HCl, 5% Glycerol, 2 mM DTT, 4% DMSO, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.30 Å R-free 0.262 |
| 3EL8 Crystal structure of c-Src in complex with pyrazolopyrimidine 5 Deposited 2008-09-20 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Protein kinase domain: UNP residues 251-533
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；287 K；100 mM NaCl, 10 mM Tris-HCl, 5% Glycerol, 2 mM DTT, 4% DMSO, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.30 Å R-free 0.262 |
| 3EN4 Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor Deposited 2008-09-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain
|
Not recorded | KS1 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；14 mg/mL kinase, 50 mM Tris-HCl, 100 mM NaCl, 5% (v/v) glycerol mixed 1:1 with 20% (w/v) glycerol precipitant well solution, pH 8.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 2.55 Å R-free 0.255 |
| 3EN4 Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor Deposited 2008-09-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain
|
Not recorded | KS1 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；14 mg/mL kinase, 50 mM Tris-HCl, 100 mM NaCl, 5% (v/v) glycerol mixed 1:1 with 20% (w/v) glycerol precipitant well solution, pH 8.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 2.55 Å R-free 0.255 |
| 3EN5 Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP494, a multitargeted kinase inhibitor Deposited 2008-09-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain
|
Not recorded | KS4 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；26 mg/mL kinase, 50 mM Tris-HCl, 100 mM NaCl, 5% (v/v) glycerol mixed 1:1 with 22% (w/v) glycerol precipitant well solution, pH 8.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 2.66 Å R-free 0.248 |
| 3EN5 Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP494, a multitargeted kinase inhibitor Deposited 2008-09-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain
|
Not recorded | KS4 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；26 mg/mL kinase, 50 mM Tris-HCl, 100 mM NaCl, 5% (v/v) glycerol mixed 1:1 with 22% (w/v) glycerol precipitant well solution, pH 8.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 2.66 Å R-free 0.248 |
| 3EN6 Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP102, a multitargeted kinase inhibitor Deposited 2008-09-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；14 mg/mL kinase, 50 mM Tris-HCl, 100 mM NaCl, 5% (v/v) glycerol mixed 1:1 with 20% (w/v) glycerol precipitant well solution, pH 8.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 2.39 Å R-free 0.259 |
| 3EN6 Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP102, a multitargeted kinase inhibitor Deposited 2008-09-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain
|
Not recorded | KS5 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；14 mg/mL kinase, 50 mM Tris-HCl, 100 mM NaCl, 5% (v/v) glycerol mixed 1:1 with 20% (w/v) glycerol precipitant well solution, pH 8.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 2.39 Å R-free 0.259 |
| 3EN7 Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a multitargeted kinase inhibitor Deposited 2008-09-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain
|
Not recorded | ABJ 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；16 mg/mL kinase, 50 mM Tris-HCl, 100 mM NaCl, 5% (v/v) glycerol mixed 1:1 with 18% (w/v) glycerol precipitant well solution, pH 8.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 2.81 Å R-free 0.257 |
| 3EN7 Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a multitargeted kinase inhibitor Deposited 2008-09-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；16 mg/mL kinase, 50 mM Tris-HCl, 100 mM NaCl, 5% (v/v) glycerol mixed 1:1 with 18% (w/v) glycerol precipitant well solution, pH 8.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 2.81 Å R-free 0.257 |
| 3F3T Kinase domain of cSrc in complex with inhibitor RL38 (Type III) Deposited 2008-10-31 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | 1AU 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；10% PEG 4000, 0.05M sodium acetate, 4% glycerol, 0.1M MES , pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.295 |
| 3F3T Kinase domain of cSrc in complex with inhibitor RL38 (Type III) Deposited 2008-10-31 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；10% PEG 4000, 0.05M sodium acetate, 4% glycerol, 0.1M MES , pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.295 |
| 3F3U Kinase domain of cSrc in complex with inhibitor RL37 (Type III) Deposited 2008-10-31 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | 1AW 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；10% PEG 4000, 0.05M sodium acetate, 4% glycerol, 0.1M MES , pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.281 |
| 3F3U Kinase domain of cSrc in complex with inhibitor RL37 (Type III) Deposited 2008-10-31 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | 1AW 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；10% PEG 4000, 0.05M sodium acetate, 4% glycerol, 0.1M MES , pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.281 |
| 3F3V Kinase domain of cSrc in complex with inhibitor RL45 (Type II) Deposited 2008-10-31 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | 1BU 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 85 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.284 |
| 3F3V Kinase domain of cSrc in complex with inhibitor RL45 (Type II) Deposited 2008-10-31 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | 1BU 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 85 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.284 |
| 3F3W Drug resistant cSrc kinase domain in complex with inhibitor RL45 (Type II) Deposited 2008-10-31 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Kinase domain, UNP residues 251-533
|
Mutation：T338M, S345C | 1BU 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 85mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.277 |
| 3F3W Drug resistant cSrc kinase domain in complex with inhibitor RL45 (Type II) Deposited 2008-10-31 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Kinase domain, UNP residues 251-533
|
Mutation：T338M, S345C | 1BU 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 85mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.60 Å R-free 0.277 |
| 3F6X c-Src kinase domain in complex with small molecule inhibitor Deposited 2008-11-06 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | IHH [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES pH 6.5, 10 % glycerol, 25 mM ammonium acetate, 50 mM sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.35 Å R-free 0.266 |
| 3F6X c-Src kinase domain in complex with small molecule inhibitor Deposited 2008-11-06 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | IHH [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES pH 6.5, 10 % glycerol, 25 mM ammonium acetate, 50 mM sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.35 Å R-free 0.266 |
| 3F6X c-Src kinase domain in complex with small molecule inhibitor Deposited 2008-11-06 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | IHH [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES pH 6.5, 10 % glycerol, 25 mM ammonium acetate, 50 mM sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.35 Å R-free 0.266 |
| 3F6X c-Src kinase domain in complex with small molecule inhibitor Deposited 2008-11-06 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | IHH [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES pH 6.5, 10 % glycerol, 25 mM ammonium acetate, 50 mM sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.35 Å R-free 0.266 |
| 3FJ5 Crystal structure of the c-src-SH3 domain Deposited 2008-12-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–140（56 aa）
Fragment：SH3 DOMAIN, UNP residues 85-140
Chain B
85–140（56 aa）
Fragment：SH3 DOMAIN, UNP residues 85-140
|
Not recorded | PGE TRIETHYLENE GLYCOL × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 3 GOL GLYCEROL × 1 PG4 TETRAETHYLENE GLYCOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；288 K；1.7M Ammonium sulphate, 5% PEG300, 10% glycerol, 0.1M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 288K
|
Resolution 1.65 Å R-free 0.222 |
| 3G5D Kinase domain of cSrc in complex with Dasatinib Deposited 2009-02-05 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain, UNP residues 251-533
|
Mutation：S345C | 1N1 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 85 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.257 |
| 3G5D Kinase domain of cSrc in complex with Dasatinib Deposited 2009-02-05 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain, UNP residues 251-533
|
Mutation：S345C | 1N1 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 85 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.257 |
| 3G6G Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations Deposited 2009-02-06 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Protein kinase domain
|
Not recorded | G6G N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；100 mM MES pH 6.3, 5 % PEG 3350, 10 % glycerol, 30 mM sodium acetate, 3 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.31 Å R-free 0.277 |
| 3G6G Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations Deposited 2009-02-06 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Protein kinase domain
|
Not recorded | G6G N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；100 mM MES pH 6.3, 5 % PEG 3350, 10 % glycerol, 30 mM sodium acetate, 3 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.31 Å R-free 0.277 |
| 3G6H Src Thr338Ile inhibited in the DFG-Asp-Out conformation Deposited 2009-02-06 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Protein kinase Domain
|
Mutation：T338I | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；100 mM MES pH 6.0, 8 % PEG 3350, 3 % Glycerol, 45 mM sodium acetate, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.35 Å R-free 0.283 |
| 3G6H Src Thr338Ile inhibited in the DFG-Asp-Out conformation Deposited 2009-02-06 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Protein kinase Domain
|
Mutation：T338I | G6H N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；100 mM MES pH 6.0, 8 % PEG 3350, 3 % Glycerol, 45 mM sodium acetate, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.35 Å R-free 0.283 |
| 3GEQ Structural basis for the chemical rescue of Src kinase activity Deposited 2009-02-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain (UNP residues 251-533)
|
Mutation：R388A | PP2 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；50 mM Ammoniumacetate, 100 mM Bis-Tris pH 5.5, 1 mM DTT, 50 mM imidazole, 0.5 mM PP2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.273 |
| 3GEQ Structural basis for the chemical rescue of Src kinase activity Deposited 2009-02-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain (UNP residues 251-533)
|
Mutation：R388A | PP2 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；50 mM Ammoniumacetate, 100 mM Bis-Tris pH 5.5, 1 mM DTT, 50 mM imidazole, 0.5 mM PP2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.273 |
| 3LOK Drug resistant cSrc kinase domain in complex with covalent inhibitor PD168393 Deposited 2010-02-04 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Kinase domain
|
Mutation：T338M, S345C | DJK N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；18% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.48 Å R-free 0.286 |
| 3LOK Drug resistant cSrc kinase domain in complex with covalent inhibitor PD168393 Deposited 2010-02-04 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Kinase domain
|
Mutation：T338M, S345C | DJK N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；18% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.48 Å R-free 0.286 |
| 3OEZ crystal structure of the L317I mutant of the chicken c-Src tyrosine kinase domain complexed with imatinib Deposited 2010-08-13 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain
|
Mutation：L317I | STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 ACT ACETATE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；100 mM MES, 200 mM sodium acetate, 4% glycerol, 12% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.40 Å R-free 0.240 |
| 3OEZ crystal structure of the L317I mutant of the chicken c-Src tyrosine kinase domain complexed with imatinib Deposited 2010-08-13 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain
|
Mutation：L317I | STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；100 mM MES, 200 mM sodium acetate, 4% glycerol, 12% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.40 Å R-free 0.240 |
| 3OF0 crystal structure of the L317I mutant of the chicken c-Src tyrosine kinase domain Deposited 2010-08-13 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain
|
Mutation：L317I | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；100 mM MES, 200 mM sodium acetate, 4% glycerol, 12% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.70 Å R-free 0.262 |
| 3OF0 crystal structure of the L317I mutant of the chicken c-Src tyrosine kinase domain Deposited 2010-08-13 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain
|
Mutation：L317I | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；100 mM MES, 200 mM sodium acetate, 4% glycerol, 12% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.70 Å R-free 0.262 |
| 3QLF Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with pyrazolopyrimidine 5 Deposited 2011-02-02 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：L317I | PD5 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；287 K；7mg/ml cSRcL317I, 0.5mM pyrazolopyrimidine 5, 0.1M MES, 0.2M sodium acetate, 4% glycerol, 12% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.75 Å R-free 0.232 |
| 3QLF Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with pyrazolopyrimidine 5 Deposited 2011-02-02 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：L317I | PD5 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；287 K；7mg/ml cSRcL317I, 0.5mM pyrazolopyrimidine 5, 0.1M MES, 0.2M sodium acetate, 4% glycerol, 12% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.75 Å R-free 0.232 |
| 3QLG Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with dasatinib Deposited 2011-02-02 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：L317I | 1N1 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；287 K；7mg/ml protein, 0.25mM dasatinib, 0.1M MES, 0.2M sodium acetate, 4% Glycerol, 12% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.75 Å R-free 0.269 |
| 3QLG Crystal structure of the L317I mutant of the C-src tyrosine kinase domain complexed with dasatinib Deposited 2011-02-02 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：L317I | 1N1 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；287 K；7mg/ml protein, 0.25mM dasatinib, 0.1M MES, 0.2M sodium acetate, 4% Glycerol, 12% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.75 Å R-free 0.269 |
| 3SVV Crystal Structure of T338C c-Src covalently bound to vinylsulfonamide-pyrazolopyrimidine 9 Deposited 2011-07-12 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain, UNP residues 251-533
|
Mutation：T338C | VSP N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；100mM MES, 50mM NaOAc, 4-8% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.215 |
| 3SVV Crystal Structure of T338C c-Src covalently bound to vinylsulfonamide-pyrazolopyrimidine 9 Deposited 2011-07-12 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain, UNP residues 251-533
|
Mutation：T338C | VSP N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；100mM MES, 50mM NaOAc, 4-8% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.215 |
| 3TZ7 Kinase domain of cSrc in complex with RL103 Deposited 2011-09-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | AQB N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.30 Å R-free 0.256 |
| 3TZ7 Kinase domain of cSrc in complex with RL103 Deposited 2011-09-27 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | AQB N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.30 Å R-free 0.256 |
| 3TZ8 Kinase domain of cSrc in complex with RL104 Deposited 2011-09-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | AQM N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.70 Å R-free 0.258 |
| 3TZ8 Kinase domain of cSrc in complex with RL104 Deposited 2011-09-27 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | AQM N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.70 Å R-free 0.258 |
| 3TZ9 Kinase domain of cSrc in complex with RL130 Deposited 2011-09-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | AQU 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.10 Å R-free 0.283 |
| 3TZ9 Kinase domain of cSrc in complex with RL130 Deposited 2011-09-27 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Kinase Domain, UNP residues 251-533
|
Mutation：S345C | AQU 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 20000, 15% glycerol, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 3.10 Å R-free 0.283 |
| 3U4W Src in complex with DNA-templated macrocyclic inhibitor MC4b Deposited 2011-10-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
259–533（275 aa）
Fragment：Src kinase domain (UNP residues 259-533)
|
Not recorded | GOL GLYCEROL × 3 SO4 SULFATE ION × 5 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；3% glycerol, 200 mM ammonium sulfate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.90 Å R-free 0.186 |
| 3U51 Src in complex with DNA-templated macrocyclic inhibitor MC1 Deposited 2011-10-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
259–533（275 aa）
Fragment：Src kinase domain (UNP residues 259-533)
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M Bis-Tris, pH 6.5, 12% PEG3350, 1% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.24 Å R-free 0.236 |
| 3U51 Src in complex with DNA-templated macrocyclic inhibitor MC1 Deposited 2011-10-10 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
259–533（275 aa）
Fragment：Src kinase domain (UNP residues 259-533)
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M Bis-Tris, pH 6.5, 12% PEG3350, 1% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.24 Å R-free 0.236 |
| 3UQF c-SRC kinase domain in complex with BKI RM-1-89 Deposited 2011-11-20 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain (UNP residues 251-533)
|
Not recorded | BK5 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；9% PEG 4000, 100 mM MES pH 6.5, 5 mM Sodium Acetate, 2.0 mM RM-1-89 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K
|
Resolution 2.27 Å R-free 0.256 |
| 3UQF c-SRC kinase domain in complex with BKI RM-1-89 Deposited 2011-11-20 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain (UNP residues 251-533)
|
Not recorded | BK5 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；9% PEG 4000, 100 mM MES pH 6.5, 5 mM Sodium Acetate, 2.0 mM RM-1-89 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K
|
Resolution 2.27 Å R-free 0.256 |
| 3UQG c-SRC kinase domain in complex with bumpless BKI analog UW1243 Deposited 2011-11-20 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain (UNP residues 251-533)
|
Not recorded | B5A 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；9% PEG 2000, 100 mM MES pH 7, 2.0 mM UW1243 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K
|
Resolution 2.20 Å R-free 0.259 |
| 3UQG c-SRC kinase domain in complex with bumpless BKI analog UW1243 Deposited 2011-11-20 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain (UNP residues 251-533)
|
Not recorded | B5A 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；9% PEG 2000, 100 mM MES pH 7, 2.0 mM UW1243 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K
|
Resolution 2.20 Å R-free 0.259 |
| 4AGW Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases Deposited 2012-02-01 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：KINASE DOMAIN, RESIDUES 251-533
|
Not recorded | NG7 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；PROTEIN CONCENTRATION 0.3 MM INHIBITOR CONCENTRATION 0.5 MM METHOD HANGING DROP VAPOR DIFFUSION AT 298 K PROTEIN BUFFER 5 % DMSO, 20 MM TRIS PH 8.0, 250 MM NACL, 5 % GLYCEROL, 1 MM DTT. MOTHER LIQUOR: 100 MM MES PH 6.5, 7.5 % PEG 3350, 10 % GLYCEROL, 1 MM DTT
|
Resolution 2.60 Å R-free 0.271 |
| 4AGW Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases Deposited 2012-02-01 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：KINASE DOMAIN, RESIDUES 251-533
|
Not recorded | NG7 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；PROTEIN CONCENTRATION 0.3 MM INHIBITOR CONCENTRATION 0.5 MM METHOD HANGING DROP VAPOR DIFFUSION AT 298 K PROTEIN BUFFER 5 % DMSO, 20 MM TRIS PH 8.0, 250 MM NACL, 5 % GLYCEROL, 1 MM DTT. MOTHER LIQUOR: 100 MM MES PH 6.5, 7.5 % PEG 3350, 10 % GLYCEROL, 1 MM DTT
|
Resolution 2.60 Å R-free 0.271 |
| 4DGG c-SRC kinase domain in complex with RM-1-176 Deposited 2012-01-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：kinase domain (UNP residues 251-533)
|
Not recorded | I76 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；6% PEG 20000, 100 mM MES pH 6.5, 2.0 mM RM-1-176 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K
|
Resolution 2.65 Å R-free 0.252 |
| 4DGG c-SRC kinase domain in complex with RM-1-176 Deposited 2012-01-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：kinase domain (UNP residues 251-533)
|
Not recorded | I76 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；6% PEG 20000, 100 mM MES pH 6.5, 2.0 mM RM-1-176 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K
|
Resolution 2.65 Å R-free 0.252 |
| 4FIC Kinase domain of cSrc in complex with a hinge region-binding fragment Deposited 2012-06-08 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：Kinase Domain of chicken Src (UNP residues 251-533)
|
Not recorded | 0UL 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；11% ethylene glycol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.244 |
| 4FIC Kinase domain of cSrc in complex with a hinge region-binding fragment Deposited 2012-06-08 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：Kinase Domain of chicken Src (UNP residues 251-533)
|
Not recorded | 0UL 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；11% ethylene glycol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.244 |
| 4HVU Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12 Deposited 2012-11-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain
|
Mutation：T98D, Q128R | SO4 SULFATE ION × 1 ACE ACETYL GROUP × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；1.7 M Ammonium sulphate, 10% PEG 300, 10% glycerol and 0.1 M sodium acetate, pH 5, vapor diffusion, hanging drop, temperature 298K
|
Resolution 0.98 Å R-free 0.160 |
| 4HVU Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12 Deposited 2012-11-07 | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain
|
Mutation：T98D, Q128R | SO4 SULFATE ION × 2 ACE ACETYL GROUP × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；1.7 M Ammonium sulphate, 10% PEG 300, 10% glycerol and 0.1 M sodium acetate, pH 5, vapor diffusion, hanging drop, temperature 298K
|
Resolution 0.98 Å R-free 0.160 |
| 4HVV Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide APP12 Deposited 2012-11-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–140（56 aa）
Fragment：SH3 domain
|
Mutation：T98E, Q128R | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；1.7 M Ammonium sulphate, 10% PEG 300, 10% glycerol and 0.1 M sodium acetate, pH 5, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.10 Å R-free 0.156 |
| 4HVW Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12 Deposited 2012-11-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain
|
Mutation：T98E, T125S, Q128R | ACE ACETYL GROUP × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；1.7 M Ammonium sulphate, 5% PEG 300, 10% glycerol and 0.1 M sodium acetate, vapor diffusion, hanging drop, temperature 298K
|
Resolution 0.98 Å R-free 0.141 |
| 4HVW Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12 Deposited 2012-11-07 | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain
|
Mutation：T98E, T125S, Q128R | ACE ACETYL GROUP × 2 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；1.7 M Ammonium sulphate, 5% PEG 300, 10% glycerol and 0.1 M sodium acetate, vapor diffusion, hanging drop, temperature 298K
|
Resolution 0.98 Å R-free 0.141 |
| 4JZ3 Crystal structure of the chicken c-Src-SH3 domain intertwined dimer Deposited 2013-04-02 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
84–140（57 aa）
Fragment：SH3 domain: unp residues 84-140
|
Not recorded | PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；1.6 M ammonium sulphate, 10% PEG 300, 10% glycerol and 0.1 M sodium acetate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.241 |
| 4JZ3 Crystal structure of the chicken c-Src-SH3 domain intertwined dimer Deposited 2013-04-02 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
84–140（57 aa）
Fragment：SH3 domain: unp residues 84-140
|
Not recorded | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；1.6 M ammonium sulphate, 10% PEG 300, 10% glycerol and 0.1 M sodium acetate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.85 Å R-free 0.241 |
| 4JZ4 Crystal structure of chicken c-Src-SH3 domain: monomeric form Deposited 2013-04-02 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
84–140（57 aa）
Fragment：SH3 domain: unp residues 84-140
|
Not recorded | NI NICKEL (II) ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.8M Ammonium sulphate, 10% Glicerol, 5mM NiCl, 0.1 M Hepes , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.56 Å R-free 0.176 |
| 4JZ4 Crystal structure of chicken c-Src-SH3 domain: monomeric form Deposited 2013-04-02 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
84–140（57 aa）
Fragment：SH3 domain: unp residues 84-140
|
Not recorded | NI NICKEL (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.8M Ammonium sulphate, 10% Glicerol, 5mM NiCl, 0.1 M Hepes , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.56 Å R-free 0.176 |
| 4JZ4 Crystal structure of chicken c-Src-SH3 domain: monomeric form Deposited 2013-04-02 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
84–140（57 aa）
Fragment：SH3 domain: unp residues 84-140
Chain B
84–140（57 aa）
Fragment：SH3 domain: unp residues 84-140
|
Not recorded | NI NICKEL (II) ION × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.8M Ammonium sulphate, 10% Glicerol, 5mM NiCl, 0.1 M Hepes , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.56 Å R-free 0.176 |
| 4LE9 Crystal structure of a chimeric c-Src-SH3 domain Deposited 2013-06-25 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：unp residues 85-141
|
Mutation：E93V, S94A, R95S, T96G, N112G, N113Y, T114N, E115H, Q128R | PGE TRIETHYLENE GLYCOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；2.2 M ammonium sulphate, 10% Glicerol, 5% PEG 300, 0.01 M non-detergent sulphobetaine 201,0.1M Sodium Acetate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.34 Å R-free 0.164 |
| 4LGG Structure of 3MB-PP1 bound to analog-sensitive Src kinase Deposited 2013-06-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
264–533（270 aa）
Fragment：Kinase Domain (UNP residues 264-533)
|
Mutation：T338G | VGG 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；100 mM MES, 50 mM NaAc, 12% glycerol, 6% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.41 Å R-free 0.285 |
| 4LGG Structure of 3MB-PP1 bound to analog-sensitive Src kinase Deposited 2013-06-27 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
264–533（270 aa）
Fragment：Kinase Domain (UNP residues 264-533)
|
Mutation：T338G | VGG 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；100 mM MES, 50 mM NaAc, 12% glycerol, 6% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.41 Å R-free 0.285 |
| 4LGH Crystal structure of 1NM-PP1 bound to analog-sensitive Src kinase Deposited 2013-06-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
257–533（277 aa）
Fragment：Kinase Domain (UNP residues 257-533)
|
Mutation：T338G | 0JN 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；100 mM MES, 50 mM NaAc, 12% glycerol, 6% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.84 Å R-free 0.272 |
| 4LGH Crystal structure of 1NM-PP1 bound to analog-sensitive Src kinase Deposited 2013-06-27 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
257–533（277 aa）
Fragment：Kinase Domain (UNP residues 257-533)
|
Mutation：T338G | 0JN 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；100 mM MES, 50 mM NaAc, 12% glycerol, 6% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.84 Å R-free 0.272 |
| 4MCV Star 12 bound to analog-sensitive Src kinase Deposited 2013-08-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
256–533（278 aa）
Fragment：Src kinase domain (UNP residues 256-533)
|
Mutation：T338G | 29K (7S)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；287 K；8% PEG, 50 mM NaOAc, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.73 Å R-free 0.290 |
| 4MCV Star 12 bound to analog-sensitive Src kinase Deposited 2013-08-21 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
256–533（278 aa）
Fragment：Src kinase domain (UNP residues 256-533)
|
Mutation：T338G | 29K (7S)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；287 K；8% PEG, 50 mM NaOAc, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.73 Å R-free 0.290 |
| 4O2P Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine Deposited 2013-12-17 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：PROTEIN KINASE DOMAIN (UNP RESIDUES 251-533)
|
Not recorded | 11V 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% ETHYLENE GLYCOL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.238 |
| 4O2P Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine Deposited 2013-12-17 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：PROTEIN KINASE DOMAIN (UNP RESIDUES 251-533)
|
Not recorded | 11V 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% ETHYLENE GLYCOL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.238 |
| 4OML Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128R Deposited 2014-01-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain
|
Mutation：Q128R | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5；298 K；0.1M sodium acetate, 1.6 M ammonium sulphate, 10%PEG 300, 10%Glicerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.60 Å R-free 0.199 |
| 4OMM Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant N113S Deposited 2014-01-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–140（56 aa）
Fragment：SH3 domain
|
Mutation：N113S, Q129R | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 4 GOL GLYCEROL × 2 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.1M sodium acetate, 1.7 M ammonium sulphate, 5 %PEG 300, 10%Glicerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.90 Å R-free 0.213 |
| 4OMN Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128E Deposited 2014-01-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–140（56 aa）
Fragment：SH3 domain
|
Mutation：Q128E | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 4 SO4 SULFATE ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5；298 K；0.1M sodium acetate, 1.8 M ammonium sulphate, 10%PEG 200, 10%Glicerol, 10mM NDSB, pH 5.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.50 Å R-free 0.168 |
| 4OMO Crystal structure of the c-Src tyrosine kinase SH3 domain mutant Q128E Deposited 2014-01-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain
|
Mutation：Q128E | NI NICKEL (II) ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M Hepes, 2M ammonium sulphate, 5mM NiCl2, 5mM MBCD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.04 Å R-free 0.168 |
| 4OMO Crystal structure of the c-Src tyrosine kinase SH3 domain mutant Q128E Deposited 2014-01-27 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
85–141（57 aa）
Fragment：SH3 domain
|
Mutation：Q128E | NI NICKEL (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M Hepes, 2M ammonium sulphate, 5mM NiCl2, 5mM MBCD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.04 Å R-free 0.168 |
| 4OMP Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128K Deposited 2014-01-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–139（55 aa）
Fragment：SH3 domain
|
Mutation：Q128K | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5；298 K；0.1M sodium acetate, 1.8 M ammonium sulphate, 5% PEG 300, 10%Glicerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.261 |
| 4OMQ Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant S94A Deposited 2014-01-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–140（56 aa）
Fragment：SH3 domain
|
Mutation：S94A, Q128R | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 4 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5；298 K；0.1M sodium acetate, 1.7 M ammonium sulphate, 5 %PEG 300, 10%Glicerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.00 Å R-free 0.229 |
| 4QT7 Crystal structure of the c-Src SH3 domain in complex with a peptide from the Hepatitis C virus NS5A-protein Deposited 2014-07-07 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain, UNP residues 85-141
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；2M Ammonium sulphate, 0.1M sodium chloride, 0.86mM methyl-beta-cyclodextrin, 0.1M Hepes, pH 7, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.55 Å R-free 0.195 |
| 4RTU Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T96G/Q128R mutant Deposited 2014-11-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain (UNP residues 85-141)
|
Mutation：T96G, Q128R | PGE TRIETHYLENE GLYCOL × 4 PEG DI(HYDROXYETHYL)ETHER × 4 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.1M sodium acetate, 1.9M ammonium sulphate, 5% PEG 200, 10% Glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.45 Å R-free 0.244 |
| 4RTV Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12 Deposited 2014-11-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain (UNP residues 85-141)
|
Mutation：S94A, Q128R | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；0.1M sodium acetate, 1.5M ammonium sulphate, 5% PEG 300, 10% Glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.37 Å R-free 0.178 |
| 4RTW Crystal structure of the c-Src-SH3 domain E93V/Q128R mutant in complex with the high affinity peptide APP12 Deposited 2014-11-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain (UNP residues 85-141)
|
Mutation：E93V, Q128R | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；1.8 M Ammonium sulphate, 0.1 M sodium acetate and 10% Glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.24 Å R-free 0.158 |
| 4RTW Crystal structure of the c-Src-SH3 domain E93V/Q128R mutant in complex with the high affinity peptide APP12 Deposited 2014-11-16 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
85–141（57 aa）
Fragment：SH3 domain (UNP residues 85-141)
|
Mutation：E93V, Q128R | SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；1.8 M Ammonium sulphate, 0.1 M sodium acetate and 10% Glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.24 Å R-free 0.158 |
| 4RTX Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant Deposited 2014-11-16 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain (UNP residue 85-141)
|
Mutation：T96G, Q128R | NI NICKEL (II) ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M Hepes, 1.4M ammonium sulphate, 5mM NiCl2, 5mM Methyl beta cyclodextrin, 5mM Glicine, pH 7.5, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.32 Å R-free 0.207 |
| 4RTX Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant Deposited 2014-11-16 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
85–141（57 aa）
Fragment：SH3 domain (UNP residue 85-141)
|
Mutation：T96G, Q128R | NI NICKEL (II) ION × 1 SO4 SULFATE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M Hepes, 1.4M ammonium sulphate, 5mM NiCl2, 5mM Methyl beta cyclodextrin, 5mM Glicine, pH 7.5, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.32 Å R-free 0.207 |
| 4RTX Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant Deposited 2014-11-16 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
85–141（57 aa）
Fragment：SH3 domain (UNP residue 85-141)
|
Mutation：T96G, Q128R | NI NICKEL (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M Hepes, 1.4M ammonium sulphate, 5mM NiCl2, 5mM Methyl beta cyclodextrin, 5mM Glicine, pH 7.5, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.32 Å R-free 0.207 |
| 4RTX Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant Deposited 2014-11-16 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
85–141（57 aa）
Fragment：SH3 domain (UNP residue 85-141)
|
Mutation：T96G, Q128R | NI NICKEL (II) ION × 1 SO4 SULFATE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M Hepes, 1.4M ammonium sulphate, 5mM NiCl2, 5mM Methyl beta cyclodextrin, 5mM Glicine, pH 7.5, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.32 Å R-free 0.207 |
| 4RTY Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide APP12 Deposited 2014-11-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain (UNP residues 85-141)
|
Not recorded | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；1.6M Ammonium sulphate, 0.1M sodium acetate and 10% Glycerol, pH 4.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 1.28 Å R-free 0.137 |
| 4RTZ Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12 Deposited 2014-11-16 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 domain (UNP residues 85-141)
|
Not recorded | NI NICKEL (II) ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.7 M Ammonium sulphate, 0.1 M Hepes, 5 mM NiCl2 and 10% Glycerol, pH 7.5, vapor diffusion, hanging drop, temperature 298K
|
Resolution 0.98 Å R-free 0.158 |
| 4U5J C-Src in complex with Ruxolitinib Deposited 2014-07-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；PEG 4000
|
Resolution 2.26 Å R-free 0.236 |
| 4U5J C-Src in complex with Ruxolitinib Deposited 2014-07-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；PEG 4000
|
Resolution 2.26 Å R-free 0.236 |
| 4YBJ Type II Dasatinib Analog Crystallized with c-Src Kinase Deposited 2015-02-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
251–533（283 aa）
Chain B
251–533（283 aa）
|
Not recorded | 4A9 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES, pH 6.5, 20% PEG 3350, 370 mM NaOAc
|
Resolution 2.61 Å R-free 0.250 |
| 4YBK C-Helix-Out Dasatinib Analog Crystallized with c-Src Kinase Deposited 2015-02-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | 4B7 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES, pH 6.5, 16% PEG 3350, 420 mM NaOAc
|
Resolution 2.50 Å R-free 0.252 |
| 5BMM Src in complex with DNA-templated macrocyclic inhibitor MC25b Deposited 2015-05-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
251–533（283 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；14% PEG 5000 MME, 0.3 M NaH2PO
|
Resolution 2.50 Å R-free 0.246 |
| 5BMM Src in complex with DNA-templated macrocyclic inhibitor MC25b Deposited 2015-05-22 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
251–533（283 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；14% PEG 5000 MME, 0.3 M NaH2PO
|
Resolution 2.50 Å R-free 0.246 |
| 5D10 Kinase domain of cSrc in complex with RL236 Deposited 2015-08-03 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：T338M, S345C | 563 N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.085-0.125 mM MES,
9-11.5 % PEG20000
|
Resolution 2.70 Å R-free 0.359 |
| 5D10 Kinase domain of cSrc in complex with RL236 Deposited 2015-08-03 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：T338M, S345C | 563 N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.085-0.125 mM MES,
9-11.5 % PEG20000
|
Resolution 2.70 Å R-free 0.359 |
| 5D11 Kinase domain of cSrc in complex with RL235 Deposited 2015-08-03 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：T338M, S345C | GOL GLYCEROL × 1 56G N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.085-0.125 mM MES, 9-11.5 % PEG20000
|
Resolution 2.30 Å R-free 0.269 |
| 5D11 Kinase domain of cSrc in complex with RL235 Deposited 2015-08-03 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：T338M, S345C | GOL GLYCEROL × 1 56G N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.085-0.125 mM MES, 9-11.5 % PEG20000
|
Resolution 2.30 Å R-free 0.269 |
| 5D12 Kinase domain of cSrc in complex with RL40 Deposited 2015-08-03 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：UNP residues 251-533
|
Mutation：T338M, S345C | G97 N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.085-0.125 mM MES, 9-11.5 % PEG20000
|
Resolution 3.00 Å R-free 0.376 |
| 5D12 Kinase domain of cSrc in complex with RL40 Deposited 2015-08-03 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：UNP residues 251-533
|
Mutation：T338M, S345C | G97 N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.085-0.125 mM MES, 9-11.5 % PEG20000
|
Resolution 3.00 Å R-free 0.376 |
| 5EC7 Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0 Deposited 2015-10-20 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
85–140（56 aa）
Fragment：SH3 DOMAIN
|
Mutation：E93V; S94A; R95S; Q128R | PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；2.5 M ammonium sulphate, 5% PEG 300, 2 % Glycerol, 0.1 M sodium acetate
|
Resolution 1.65 Å R-free 0.243 |
| 5EC7 Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0 Deposited 2015-10-20 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
85–140（56 aa）
Fragment：SH3 DOMAIN
|
Mutation：E93V; S94A; R95S; Q128R | PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；2.5 M ammonium sulphate, 5% PEG 300, 2 % Glycerol, 0.1 M sodium acetate
|
Resolution 1.65 Å R-free 0.243 |
| 5EC7 Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0 Deposited 2015-10-20 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
85–140（56 aa）
Fragment：SH3 DOMAIN
|
Mutation：E93V; S94A; R95S; Q128R | PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；2.5 M ammonium sulphate, 5% PEG 300, 2 % Glycerol, 0.1 M sodium acetate
|
Resolution 1.65 Å R-free 0.243 |
| 5ECA Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 6.5 Deposited 2015-10-20 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 DOMAIN
|
Mutation：E93V; S94A; R95S; Q128R | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.8 M ammonium sulphate, 0.1 M MES
|
Resolution 1.16 Å R-free 0.182 |
| 5I11 Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T114S-Q128R mutant Deposited 2016-02-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
|
Mutation：T114S, Q128R | PGE TRIETHYLENE GLYCOL × 2 SO4 SULFATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 4 ACT ACETATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；0.1M SODIUM ACETATE, 1.9M AMMONIUM
SULPHATE, 5% PEG 400, 10% GLYCEROL, PH 5.0
|
Resolution 1.95 Å R-free 0.218 |
| 5J5S Src kinase in complex with a sulfonamide inhibitor Deposited 2016-04-03 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Not recorded | 6G3 N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；7% PEG 5000MME, 100mM Bis-Tris pH 6, 1.5% Tacsimate pH 6
|
Resolution 2.15 Å R-free 0.216 |
| 5J5S Src kinase in complex with a sulfonamide inhibitor Deposited 2016-04-03 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Not recorded | 6G3 N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；7% PEG 5000MME, 100mM Bis-Tris pH 6, 1.5% Tacsimate pH 6
|
Resolution 2.15 Å R-free 0.216 |
| 5K9I Crystal structure of c-SRC in complex with a covalent lysine probe Deposited 2016-05-31 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：residues 251-533
|
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 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；100 mM MES, pH 6.1, 50 mMNaOAc, 16% glycerol and 4% PEG 4000
|
Resolution 2.50 Å R-free 0.249 |
| 5K9I Crystal structure of c-SRC in complex with a covalent lysine probe Deposited 2016-05-31 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：residues 251-533
|
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 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；100 mM MES, pH 6.1, 50 mMNaOAc, 16% glycerol and 4% PEG 4000
|
Resolution 2.50 Å R-free 0.249 |
| 5OAV High resolution crystal structure of the c-Src-SH3 domain mutant E93V in complex with the high affinity synthetic peptide APP12: monoclinic crystal Deposited 2017-06-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 DOMAIN, UNP residues 85-141
|
Mutation：yes | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；1.6 M Ammonium sulphate, 0.1 M sodium acetate, 5 mM lithium chloride and 10% Glycerol
|
Resolution 0.95 Å R-free 0.160 |
| 5OAV High resolution crystal structure of the c-Src-SH3 domain mutant E93V in complex with the high affinity synthetic peptide APP12: monoclinic crystal Deposited 2017-06-23 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
85–141（57 aa）
Fragment：SH3 DOMAIN, UNP residues 85-141
|
Mutation：yes | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；1.6 M Ammonium sulphate, 0.1 M sodium acetate, 5 mM lithium chloride and 10% Glycerol
|
Resolution 0.95 Å R-free 0.160 |
| 5OB0 Crystal structure of the c-Src-SH3 domain Q128E mutant in complex with the high affinity peptide APP12 Deposited 2017-06-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 DOMAIN
|
Mutation：Q128E | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；1.9 M Ammonium sulphate, 0.05 M sodium chloride, 0.1 M sodium acetate and 10% Glycerol
|
Resolution 1.17 Å R-free 0.149 |
| 5OB1 Crystal structure of the c-Src-SH3 domain Q128R mutant in complex with the high affinity peptide APP12 Deposited 2017-06-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
85–141（57 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；1.6 M Ammonium sulphate, 0.1 M sodium chloride, 0.1 M sodium acetate and 10% Glycerol
|
Resolution 1.17 Å R-free 0.141 |
| 5OB2 Crystal structure of the c-Src-SH3 domain E97T mutant in complex with the high affinity peptide APP12 Deposited 2017-06-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
85–141（57 aa）
Fragment：SH3 DOMAIN
Chain C
85–141（57 aa）
Fragment：SH3 DOMAIN
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；1.9 M Ammonium sulphate, 0.1 M sodium acetate and 10% PEG 400
|
Resolution 1.80 Å R-free 0.220 |
| 5SWH c-Src V281C kinase domain in complex with Rao-IV-151 Deposited 2016-08-08 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
252–533（282 aa）
|
Mutation：V281C | 71D (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanami de × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；100 mM MES pH 6, 8% PEG 3350, 3% glycerol, 10 mM DTT, 10 mM NaOAc
|
Resolution 2.50 Å R-free 0.287 |
| 5SWH c-Src V281C kinase domain in complex with Rao-IV-151 Deposited 2016-08-08 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
252–533（282 aa）
|
Mutation：V281C | 71D (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanami de × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；100 mM MES pH 6, 8% PEG 3350, 3% glycerol, 10 mM DTT, 10 mM NaOAc
|
Resolution 2.50 Å R-free 0.287 |
| 5SYS c-Src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor Deposited 2016-08-11 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：V281C | 72F N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；100 mM MES pH 6, 8% PEG 3350, 10 mM NaOAc, 14% glycerol, 10 mM DTT
|
Resolution 2.80 Å R-free 0.334 |
| 5SYS c-Src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor Deposited 2016-08-11 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：V281C | 72F N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；100 mM MES pH 6, 8% PEG 3350, 10 mM NaOAc, 14% glycerol, 10 mM DTT
|
Resolution 2.80 Å R-free 0.334 |
| 5T0P c-Src kinase domain in complex with Rao-IV-151 Deposited 2016-08-16 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：V313C | 73A (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；100 mM MES ph 6, 10% PEG 3350, 3% glycerol, 10 mM NaOAC, 10 mM DTT
|
Resolution 2.50 Å R-free 0.323 |
| 5T0P c-Src kinase domain in complex with Rao-IV-151 Deposited 2016-08-16 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：V313C | 73A (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；100 mM MES ph 6, 10% PEG 3350, 3% glycerol, 10 mM NaOAC, 10 mM DTT
|
Resolution 2.50 Å R-free 0.323 |
| 5TEH c-Src V281C kinase domain in complex with Rao-IV-156 Deposited 2016-09-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：V281C | S56 (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.3；298 K；100 mM MES pH 6.3, 40 mM NaOAc, 8% PEG3350, 10% glycerol, 10 mM DTT
|
Resolution 2.99 Å R-free 0.366 |
| 5TEH c-Src V281C kinase domain in complex with Rao-IV-156 Deposited 2016-09-21 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：V281C | S56 (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.3；298 K；100 mM MES pH 6.3, 40 mM NaOAc, 8% PEG3350, 10% glycerol, 10 mM DTT
|
Resolution 2.99 Å R-free 0.366 |
| 5XP5 C-Src in complex with ATP-Chf Deposited 2017-06-01 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | 8BU [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；PEG 4000
|
Resolution 2.10 Å R-free 0.246 |
| 5XP5 C-Src in complex with ATP-Chf Deposited 2017-06-01 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | 8BU [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；PEG 4000
|
Resolution 2.10 Å R-free 0.246 |
| 5XP7 C-Src in complex with ATP-CHCl Deposited 2017-06-01 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | 8C6 [(R)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；PEG4000
|
Resolution 2.01 Å R-free 0.198 |
| 5XP7 C-Src in complex with ATP-CHCl Deposited 2017-06-01 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
Fragment：UNP residues 251-533
|
Not recorded | 8C6 [(R)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-chloranyl-methyl]phosphonic acid × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；PEG4000
|
Resolution 2.01 Å R-free 0.198 |
| 6HVE Kinase domain of cSrc in complex with compound 9 Deposited 2018-10-10 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：T338M, S345C | GUW ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% ethylene glycol, 10 mM sodium chloride, pH 7.0
|
Resolution 1.90 Å R-free 0.203 |
| 6HVE Kinase domain of cSrc in complex with compound 9 Deposited 2018-10-10 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：T338M, S345C | GUW ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% ethylene glycol, 10 mM sodium chloride, pH 7.0
|
Resolution 1.90 Å R-free 0.203 |
| 6HVF Kinase domain of cSrc in complex with compound 29B Deposited 2018-10-10 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：T338M, S345C | GUT ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% ethylene glycol, 10 mM sodium chloride, pH 7.0
|
Resolution 2.10 Å R-free 0.245 |
| 6HVF Kinase domain of cSrc in complex with compound 29B Deposited 2018-10-10 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Mutation：T338M, S345C | GUT ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% ethylene glycol, 10 mM sodium chloride, pH 7.0
|
Resolution 2.10 Å R-free 0.245 |
| 6L8L C-Src in complex with ibrutinib Deposited 2019-11-06 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Not recorded | 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；291 K；PEG 4000
|
Resolution 2.89 Å R-free 0.286 |
| 6L8L C-Src in complex with ibrutinib Deposited 2019-11-06 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Not recorded | 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；291 K；PEG 4000
|
Resolution 2.89 Å R-free 0.286 |
| 6L8L C-Src in complex with ibrutinib Deposited 2019-11-06 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
251–533（283 aa）
|
Not recorded | 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；291 K；PEG 4000
|
Resolution 2.89 Å R-free 0.286 |
| 6L8L C-Src in complex with ibrutinib Deposited 2019-11-06 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
251–533（283 aa）
|
Not recorded | 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；291 K；PEG 4000
|
Resolution 2.89 Å R-free 0.286 |
| 6WIW c-Src Bound to ATP-Competitive Inhibitor I14 Deposited 2020-04-10 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
251–533（283 aa）
Chain B
251–533（283 aa）
|
Not recorded | I14 N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)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), 100 mM NaOAc,
12% PEG 3350
|
Resolution 2.30 Å R-free 0.235 |
| 6XVM Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 2 Deposited 2020-01-22 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Not recorded | GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；3M ammonium sulfate, 0.1 M MES
|
Resolution 0.90 Å R-free 0.149 |
| 6XVM Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 2 Deposited 2020-01-22 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；3M ammonium sulfate, 0.1 M MES
|
Resolution 0.90 Å R-free 0.149 |
| 6XVM Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 2 Deposited 2020-01-22 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
82–141（60 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；3M ammonium sulfate, 0.1 M MES
|
Resolution 0.90 Å R-free 0.149 |
| 6XVM Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 2 Deposited 2020-01-22 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
82–141（60 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；3M ammonium sulfate, 0.1 M MES
|
Resolution 0.90 Å R-free 0.149 |
| 6XVN Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 1 Deposited 2020-01-22 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；2.5 ammonium sulfate, 0.1 TRIS
|
Resolution 1.70 Å R-free 0.181 |
| 6XVN Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 1 Deposited 2020-01-22 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；2.5 ammonium sulfate, 0.1 TRIS
|
Resolution 1.70 Å R-free 0.181 |
| 6XVO Crystal structure of the intertwined dimer of the c-Src SH3 domain without ATCUN motif Deposited 2020-01-22 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
82–141（60 aa）
|
Not recorded | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；2.5 ammonium sulfate, 5% PEG 300, 0.1 sodium acetate
|
Resolution 1.70 Å R-free 0.213 |
| 6XX2 Crystal structure of the c-Src SH3 domain H122R-Q128K mutant in complex with Cu(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin Deposited 2020-01-26 | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
85–141（57 aa）
|
Mutation：H122R Q128K | CU COPPER (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.9 M ammonium sulfate, 0.1 HEPES, 5 mM copper chloride, 5 mM methyl beta-cyclodextrin
|
Resolution 1.25 Å R-free 0.207 |
| 6XX3 Crystal structure of the c-Src SH3 domain H122R-Q128E mutant in complex with Cu(II) at pH 6.5 co-crystallized with methyl beta-cyclodextrin Deposited 2020-01-26 | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
85–141（57 aa）
|
Mutation：H122R Q128E | CU COPPER (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；2.5 M ammonium sulfate, 0.1 sodium cacodilate, 5 mM copper chloride, 10mM methyl beta-cyclodextrin
|
Resolution 1.36 Å R-free 0.204 |
| 6XX4 Crystal structure of the c-Src SH3 domain H122R-Q128E mutant in complex with Ni(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin Deposited 2020-01-26 | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
85–141（57 aa）
|
Mutation：H122R Q128E | NI NICKEL (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.4 M ammonium sulfate, 0.1 HEPES, 5 mM nickel chloride, 10% glycerol, 10mM methyl beta-cyclodextrin
|
Resolution 1.05 Å R-free 0.184 |
| 6XX5 Crystal structure of the c-Src SH3 domain H122R-Q128K mutant in complex with Ni(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin Deposited 2020-01-26 | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
85–141（57 aa）
|
Mutation：H122R Q128K | NI NICKEL (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.8 M ammonium sulfate, 0.1 HEPES, 5 mM nickel chloride, 10% glycerol, 10mM methyl beta-cyclodextrin
|
Resolution 1.30 Å R-free 0.194 |
| 7A30 Intertwined dimer of the c-Src SH3 domain mutant Q128E Deposited 2020-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：Q128E | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；5% PEG300, 2.0 M ammomium sulfate, 0.1M sodium acetate
|
Resolution 1.67 Å R-free 0.237 |
| 7A31 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 4.5 Deposited 2020-08-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；298 K；1.0 M ammomium sulfate, 0.1M sodium acetate
|
Resolution 0.94 Å R-free 0.167 |
| 7A31 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 4.5 Deposited 2020-08-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；298 K；1.0 M ammomium sulfate, 0.1M sodium acetate
|
Resolution 0.94 Å R-free 0.167 |
| 7A32 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 7.0 Deposited 2020-08-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；1.5 M ammonium sulfate, 0.1M Hepes
|
Resolution 1.15 Å R-free 0.173 |
| 7A32 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 7.0 Deposited 2020-08-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；1.5 M ammonium sulfate, 0.1M Hepes
|
Resolution 1.15 Å R-free 0.173 |
| 7A32 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 7.0 Deposited 2020-08-18 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
82–141（60 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；1.5 M ammonium sulfate, 0.1M Hepes
|
Resolution 1.15 Å R-free 0.173 |
| 7A32 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 7.0 Deposited 2020-08-18 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
82–141（60 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；1.5 M ammonium sulfate, 0.1M Hepes
|
Resolution 1.15 Å R-free 0.173 |
| 7A33 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0 Deposited 2020-08-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | FMT FORMIC ACID × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3；298 K；5 mM beta-cyclodextrin, 1.5 M ammomium sulfate, 0.1M sodium citrate
|
Resolution 0.96 Å R-free 0.134 |
| 7A33 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0 Deposited 2020-08-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | FMT FORMIC ACID × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3；298 K；5 mM beta-cyclodextrin, 1.5 M ammomium sulfate, 0.1M sodium citrate
|
Resolution 0.96 Å R-free 0.134 |
| 7A34 Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S Deposited 2020-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：V111L N113S T114S | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；5% PEG300, 2M ammomium sulfate, 0.1M sodium acetate
|
Resolution 1.85 Å R-free 0.227 |
| 7A35 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S at pH 7.0 Deposited 2020-08-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：V111L N113S T114S | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；5% PEG300, 2M ammomium sulfate, 0.1M sodium acetate
|
Resolution 1.31 Å R-free 0.203 |
| 7A35 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S at pH 7.0 Deposited 2020-08-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Mutation：V111L N113S T114S | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；5% PEG300, 2M ammomium sulfate, 0.1M sodium acetate
|
Resolution 1.31 Å R-free 0.203 |
| 7A36 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 7 M urea Deposited 2020-08-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：V111L N113S T114S | URE UREA × 8 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；3M ammomium sulfate, 0.1M Tris
|
Resolution 1.50 Å R-free 0.177 |
| 7A36 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 7 M urea Deposited 2020-08-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Mutation：V111L N113S T114S | URE UREA × 5 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；3M ammomium sulfate, 0.1M Tris
|
Resolution 1.50 Å R-free 0.177 |
| 7A37 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 3 M urea Deposited 2020-08-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：V111L N113S T114S | URE UREA × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；2.5 M ammomium sulfate, 0.1M Tris
|
Resolution 1.52 Å R-free 0.179 |
| 7A37 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 3 M urea Deposited 2020-08-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Mutation：V111L N113S T114S | URE UREA × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；2.5 M ammomium sulfate, 0.1M Tris
|
Resolution 1.52 Å R-free 0.179 |
| 7A38 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0 Deposited 2020-08-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：V111L N113S T114S Q128E | MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；1.5M ammonium sulfate, 0.1M MES, 10% glycerol
|
Resolution 1.62 Å R-free 0.199 |
| 7A38 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0 Deposited 2020-08-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Mutation：V111L N113S T114S Q128E | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；1.5M ammonium sulfate, 0.1M MES, 10% glycerol
|
Resolution 1.62 Å R-free 0.199 |
| 7A39 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 7.0 Deposited 2020-08-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：V111L N113S T114S Q128E | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2M ammomium sulfate, 0.1M Hepes
|
Resolution 1.65 Å R-free 0.219 |
| 7A39 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 7.0 Deposited 2020-08-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
82–141（60 aa）
|
Mutation：V111L N113S T114S Q128E | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2M ammomium sulfate, 0.1M Hepes
|
Resolution 1.65 Å R-free 0.219 |
| 7A3A Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0 Deposited 2020-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：V111L N113S T114S Q128E | PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；1.5M ammonium sulfate, 0.1M MES, 5% PEG300
|
Resolution 1.80 Å R-free 0.205 |
| 7A3B Intertwined dimer of the c-Src SH3 domain mutant E106D Deposited 2020-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
82–141（60 aa）
|
Mutation：E106D | PGE TRIETHYLENE GLYCOL × 2 GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；5% PEG300, 10 mM Lithium chloride, 10% glycerol, 2.4 M ammomium sulfate, 0.1M MES
|
Resolution 1.91 Å R-free 0.218 |
| 7A3C Crystal structure of the c-Src SH3 domain mutant L100I at pH 3.0 Deposited 2020-08-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
81–141（61 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3；298 K；5 mM beta-cyclodextrin, 1.5 M ammomium sulfate, 0.1M sodium citrate
|
Resolution 1.80 Å R-free 0.228 |
| 7A3C Crystal structure of the c-Src SH3 domain mutant L100I at pH 3.0 Deposited 2020-08-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
81–141（61 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | GOL GLYCEROL × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3；298 K；5 mM beta-cyclodextrin, 1.5 M ammomium sulfate, 0.1M sodium citrate
|
Resolution 1.80 Å R-free 0.228 |
| 7A3C Crystal structure of the c-Src SH3 domain mutant L100I at pH 3.0 Deposited 2020-08-18 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
81–141（61 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3；298 K；5 mM beta-cyclodextrin, 1.5 M ammomium sulfate, 0.1M sodium citrate
|
Resolution 1.80 Å R-free 0.228 |
| 7A3C Crystal structure of the c-Src SH3 domain mutant L100I at pH 3.0 Deposited 2020-08-18 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
81–141（61 aa）
|
Mutation：S94A, T98D, V111L, N113S, T114S | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3；298 K；5 mM beta-cyclodextrin, 1.5 M ammomium sulfate, 0.1M sodium citrate
|
Resolution 1.80 Å R-free 0.228 |
| 7A3D Intertwined dimer of the c-Src SH3 domain mutant T125S Deposited 2020-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
82–141（60 aa）
Chain B
82–141（60 aa）
|
Mutation：T125S Mutation：T125S | PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 1 PGE TRIETHYLENE GLYCOL × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；5% PEG 300, 2 M ammomium sulfate, 0.1M sodium acetate
|
Resolution 2.20 Å R-free 0.221 |
| 7A3E Intertwined dimer of the c-Src SH3 domain mutant T126S Deposited 2020-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
81–141（61 aa）
|
Mutation：T126S | PEG DI(HYDROXYETHYL)ETHER × 4 PGE TRIETHYLENE GLYCOL × 2 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；5% PEG 300, 2.5 M ammomium sulfate, 0.1M MES
|
Resolution 1.52 Å R-free 0.228 |
| 7AH3 Kinase domain of cSrc in complex with a pyrazolopyrimidine Deposited 2020-09-24 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Not recorded | RCK ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine × 1 EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0 to 30 mM NaCl, pH 7.0
9 to 20 % ethylene glycol
|
Resolution 1.95 Å R-free 0.226 |
| 7AH3 Kinase domain of cSrc in complex with a pyrazolopyrimidine Deposited 2020-09-24 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Not recorded | RCK ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine × 1 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0 to 30 mM NaCl, pH 7.0
9 to 20 % ethylene glycol
|
Resolution 1.95 Å R-free 0.226 |
| 7D57 C-Src in complex with FIIN-2 Deposited 2020-09-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Not recorded | 37O N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；291 K；2% glycerol, 8% PEG 4000, 50mM sodium acetate, 10mM MgCl2
|
Resolution 2.10 Å R-free 0.222 |
| 7D57 C-Src in complex with FIIN-2 Deposited 2020-09-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Not recorded | 37O N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；291 K；2% glycerol, 8% PEG 4000, 50mM sodium acetate, 10mM MgCl2
|
Resolution 2.10 Å R-free 0.222 |
| 7D5O C-Src in complex with TAS-120 Deposited 2020-09-27 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Not recorded | TZ0 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；291 K；2% glycerol, 8% PEG 4000, 50mM sodium acetate, 10mM MgCl2
|
Resolution 2.69 Å R-free 0.237 |
| 7D5O C-Src in complex with TAS-120 Deposited 2020-09-27 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Not recorded | TZ0 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；291 K；2% glycerol, 8% PEG 4000, 50mM sodium acetate, 10mM MgCl2
|
Resolution 2.69 Å R-free 0.237 |
| 7PVY Crystal structure of the c-Src SH3 domain E93V-S94A-R95S-T96G mutant Deposited 2021-10-05 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
81–141（61 aa）
|
Mutation：E93V, S94A, R95S,T96G | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；298 K；1.5 M ammonium sulfate, 5% PEG 4000, 0.1M Tris
|
Resolution 1.40 Å R-free 0.225 |
| 7PVZ Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G mutant Deposited 2021-10-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
81–141（61 aa）
Chain B
81–141（61 aa）
|
Mutation：E93V, S94A, R95S,T96G Mutation：E93V, S94A, R95S,T96G | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；1.5 M ammonium sulfate, 5 % PEG 300, 0.1M AcONa
|
Resolution 2.00 Å R-free 0.256 |
| 7WF5 c-Src in complex with ponatinib Deposited 2021-12-26 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Not recorded | 0LI 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1M MES (pH 6.4), 50mM sodium acetate, 10mM MgCl2, 2% glycerol, 8% PEG 4000
|
Resolution 1.80 Å R-free 0.183 |
| 7WF5 c-Src in complex with ponatinib Deposited 2021-12-26 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Not recorded | 0LI 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.1M MES (pH 6.4), 50mM sodium acetate, 10mM MgCl2, 2% glycerol, 8% PEG 4000
|
Resolution 1.80 Å R-free 0.183 |
| 8K79 Crystal structure of c-SRC kinase domain bound by TPX-0022 Deposited 2023-07-26 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Not recorded | IYC Elzovantinib × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；2% glycerol, 8% PEG 4000, 50mM sodium acetate, 10mM MgCl2
|
Resolution 2.80 Å R-free 0.277 |
| 8K79 Crystal structure of c-SRC kinase domain bound by TPX-0022 Deposited 2023-07-26 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
251–533（283 aa）
|
Not recorded | IYC Elzovantinib × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；2% glycerol, 8% PEG 4000, 50mM sodium acetate, 10mM MgCl2
|
Resolution 2.80 Å R-free 0.277 |
| 9BT8 Structure of Src in complex with beta-arrestin 1 revealing SH3 binding sites Deposited 2024-05-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain C
83–533（451 aa）
|
Mutation：R95C, C185S, C238S, C245S, C277S, C400S | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.34 Å |
| 9CX3 Structure of SH3 domain of Src in complex with beta-arrestin 1 Deposited 2024-07-30 | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
Chain C
83–141（59 aa）
|
Mutation：R95C | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.47 Å |
| 9CX9 Structure of SH3 domain of Src in complex with beta-arrestin 1 Deposited 2024-07-31 | Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric（5） Consistent with protein count |
Chain B
83–141（59 aa）
|
Mutation：R95C | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.34 Å |
| 9V4E Crystal Structure of Gallus gallus c-Src Kinase Domain with Point mutation Y416D and Deletion of Residues N414, T417, and R419 Bound to AMP-PNP Deposited 2025-05-23 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
251–533（283 aa）
|
Mutation：Y416D/delN414,T417,R419 | No recorded non-water small molecule | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.78 Å R-free 0.241 |