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9bt8

Structure of Src in complex with beta-arrestin 1 revealing SH3 binding sites

Method: ELECTRON MICROSCOPY Dmax: 113.0 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Proto-oncogene tyrosine-protein kinase Src

Gallus gallus

UniProt P00523

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count Chain C； UniProt 83–533 Mutation：R95C, C185S, C238S, C245S, C277S, C400S Antibody fragment Fab30, heavy chain × 1 Vasopressin V2 receptor × 1 （P30518） Nanobody 32 × 1 Beta-arrestin-1 × 1 （P29066） Antibody fragment Fab30, light chain × 1 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.34 Å

Other States of the Same Protein in the Database

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

Other PDB Difference from Current Entry 9BT8 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1F1W SRC SH2 THREF1TRP MUTANT COMPLEXED WITH THE PHOSPHOPEPTIDE S(PTR)VNVQN Deposited 2000-05-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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
9CX3 Structure of SH3 domain of Src in complex with beta-arrestin 1 Deposited 2024-07-30 Different construct Different mutation/modification Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
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 Different construct Different mutation/modification Different oligomeric state Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
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 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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

133 other PDB entries and 236 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SRC_CHICK
Isoform —
PDB entities 1
Chains and sequence ranges Author chain C； PDBConstruct 27–477； UniProt 83–533

Vasopressin V2 receptor

OrganismNot specified

UniProt P30518

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count Chain V； UniProt 343–371 Fragment：UNP residues 343-371 Non-standard monomer：Yes (specific site not provided by mmCIF) Proto-oncogene tyrosine-protein kinase Src × 1 （P00523） Antibody fragment Fab30, heavy chain × 1 Nanobody 32 × 1 Beta-arrestin-1 × 1 （P29066） Antibody fragment Fab30, light chain × 1 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.34 Å

Other States of the Same Protein in the Database

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

Other PDB Difference from Current Entry 9BT8 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
4JQI Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide Deposited 2013-03-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain V 343–371（29 aa） Fragment：unp residues 343-371
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；17% PEG 3350, 0.1 M HEPES, 0.2 M L-proline , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.60 Å R-free 0.247
4JQI Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide Deposited 2013-03-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain V 343–371（29 aa） Fragment：unp residues 343-371
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 6 PRO PROLINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；17% PEG 3350, 0.1 M HEPES, 0.2 M L-proline , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.60 Å R-free 0.247
6NI2 Stabilized beta-arrestin 1-V2T subcomplex of a GPCR-G protein-beta-arrestin mega-complex Deposited 2018-12-26 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain V 343–368（26 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.00 Å
6U1N GPCR-Beta arrestin structure in lipid bilayer Deposited 2019-08-16 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain R 343–371（29 aa） Fragment：M2 UNP residues 2-466 + V2 UNP residues 343-371
Non-standard monomer：Yes (specific site not provided by mmCIF) 2CU 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.00 Å
7BB6 AVP-V2R-Galphas-beta1-gamma2-Nb35 (L state) Deposited 2020-12-17 Different construct Different mutation/modification Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 3–371（369 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.20 Å
7BB7 AVP-V2R-Galphas-beta1-gamma2-Nb35(T state) Deposited 2020-12-17 Different construct Different mutation/modification Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 3–371（369 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.40 Å
7DW9 Cryo-EM structure of human V2 vasopressin receptor in complex with an Gs protein Deposited 2021-01-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric
Chain R 1–371（371 aa）
Not recorded CLR CHOLESTEROL × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.60 Å
7KH0 Cryo-EM structure of the human arginine vasopressin AVP-vasopressin receptor V2R-Gs signaling complex Deposited 2020-10-19 Different construct Different mutation/modification Different oligomeric state Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 7 PDB declaration: heptameric
Chain R 1–371（371 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
7R0C Structure of the AVP-V2R-arrestin2-ScFv30 complex Deposited 2022-02-01 Different construct Different oligomeric state Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 4–371（368 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.73 Å
8GOC Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Vasopressin V2 receptor, V2R Deposited 2022-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain G 343–371（29 aa）
Chain U 343–371（29 aa）
Chain V 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；Blotted for 3 seconds before plunging.
Resolution 4.18 Å
8I10 Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Vasopressin V2 receptor, V2R (Local refine) Deposited 2023-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain G 343–371（29 aa）
Chain U 343–371（29 aa）
Chain V 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；Blotted for 3 seconds before plunging.
Resolution 3.96 Å
8JRU Cryo-EM structure of the glucagon receptor bound to beta-arrestin 1 in ligand-free state Deposited 2023-06-17 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) PIO [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
8JRV Cryo-EM structure of the glucagon receptor bound to glucagon and beta-arrestin 1 Deposited 2023-06-17 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain R 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) PIO [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
8WRZ Cry-EM structure of cannabinoid receptor-beta-arrestin-1 complex Deposited 2023-10-16 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain V 343–367（25 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 8D0 (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.60 Å
8WU1 Cryo-EM structure of CB1-beta-arrestin1 complex Deposited 2023-10-19 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain R 342–371（30 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) KCA methyl N-{1-[(4-fluorophenyl)methyl]-1H-indazole-3-carbonyl}-3-methyl-L-valinate × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
9CX3 Structure of SH3 domain of Src in complex with beta-arrestin 1 Deposited 2024-07-30 Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain V 343–371（29 aa） Fragment：UNP residues 343-371
Non-standard monomer：Yes (specific site not provided by mmCIF) 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 Different oligomeric state Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain V 343–371（29 aa） Fragment：UNP residues 343-371
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.34 Å
9HAP Cryo-EM structure of inactive human arginine-vasopressin (AVP) V2 receptor (V2R) with tolvaptan Deposited 2024-11-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain R 4–371（368 aa）
Not recorded A1IT8 (R)-Tolvaptan × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.50 Å
9HB3 cryo-EM structure of inactive human arginine-vasopressin (AVP) V2 receptor (V2R) with Mambaquaretin1 K39A (MQK39A) Deposited 2024-11-05 Different construct Different mutation/modification Different oligomeric state Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 4–342（339 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.50 Å
9LY2 A Cryo-EM structure of LA-PTH-PTH1R-V2RT-Beta-arrestin1 complex (state 1 conformation) Deposited 2025-02-19 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.04
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
9LY3 A Cryo-EM structure of LA-PTH-PTH1R-V2RT-Beta-arrestin1 complex (state 2 conformation) Deposited 2025-02-19 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.04
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9LZ2 Cryo-EM structure of PTH1R(V2RC)-beta-arrestin1 complex Deposited 2025-02-21 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 343–368（26 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
9U80 Cryo-EM structure of conivaptan-bound human vasopressin V2 receptor complex with Fab Deposited 2025-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 35–234（200 aa）
Chain R 264–371（108 aa）
Not recorded A1ECE Conivaptan × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.94 Å
9U81 Cryo-EM structure of tolvaptan-bound human vasopressin V2 receptor complex with Fab Deposited 2025-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 33–234（202 aa）
Chain R 264–371（108 aa）
Not recorded A1ECF Tolvaptan × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.08 Å
9UVV Cryo-EM structure of Vasopressin receptor 2 (V2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with tolvaptan Deposited 2025-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–236（236 aa）
Chain A 265–371（107 aa）
Mutation：M243W/H338I/R342L Mutation：M243W/H338I/R342L A1IT8 (R)-Tolvaptan × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
Resolution 3.02 Å
9UVW Cryo-EM structure of Vasopressin receptor 2 (V2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with tolvaptan, focused on receptor Deposited 2025-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–236（236 aa）
Chain A 265–371（107 aa）
Mutation：M243W/H338I/R342L Mutation：M243W/H338I/R342L A1IT8 (R)-Tolvaptan × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
Resolution 2.89 Å
9UVX Cryo-EM structure of Vasopressin receptor 2 (V2R)-BRIL/anti BRIL SRP2070 Fab antibody complex with OPC51803, focused on receptor Deposited 2025-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–236（236 aa）
Chain A 265–371（107 aa）
Mutation：M243W/H338I/R342L Mutation：M243W/H338I/R342L A1L9O 2-[(5~{R})-1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-~{N}-propan-2-yl-ethanamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
Resolution 3.31 Å
9UVY Cryo-EM structure of Vasopressin receptor 2 (V2R)-ARK1 with tolvaptan Deposited 2025-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–235（235 aa）
Chain A 266–371（106 aa）
Not recorded A1IT8 (R)-Tolvaptan × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
Resolution 2.98 Å
9UYH Cryo-EM structure of the G protein-coupled receptor 1 (GPR1) bound to chemerin and beta-arrestin 1 (Conformation 1) Deposited 2025-05-15 Different construct Different oligomeric state Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
9UYI Cryo-EM structure of the G protein-coupled receptor 1 (GPR1) bound to chemerin and beta-arrestin 1 (Conformation 2) Deposited 2025-05-15 Different construct Different oligomeric state Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
9UYJ Cryo-EM structure of the G protein-coupled receptor 1 (GPR1) bound to chemerin and beta-arrestin 1 (Conformation 3) Deposited 2025-05-15 Different construct Different oligomeric state Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
9UYL Cryo-EM structure of the G protein-coupled receptor 1 (GPR1) bound to chemerin and beta-arrestin 1 (Conformation 4) Deposited 2025-05-15 Different construct Different oligomeric state Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
9UYM Composite map of the G protein-coupled receptor 1 (GPR1) bound to chemerin and beta-arrestin 2 Deposited 2025-05-15 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 343–371（29 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Y01 CHOLESTEROL HEMISUCCINATE × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
9UYN Cryo-EM structure of the G protein-coupled receptor 1 (GPR1) bound to beta-arrestin 1 in ligand-free state Deposited 2025-05-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain R 343–371（29 aa）
Mutation：V143C Non-standard monomer：Yes (specific site not provided by mmCIF) PAM PALMITOLEIC ACID × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.90 Å
9WSV Cryo-EM structure of DAMGO-muOR-arrestin-1-Fab30 complex Deposited 2025-09-15 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 342–371（30 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
9WSW Cryo-EM structure of endomorphin-1-muOR-Gz-scFv16 complex Deposited 2025-09-15 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 342–371（30 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
9WSX Cryo-EM structure of endomorphin-1-muOR-arrestin2-Fab30 complex Deposited 2025-09-15 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 342–371（30 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å

36 other PDB entries and 37 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name V2R_HUMAN
Isoform —
PDB entities 3
Chains and sequence ranges Author chain V； PDBConstruct 1–29； UniProt 343–371

Beta-arrestin-1

Rattus norvegicus

UniProt P29066

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count Chain B； UniProt 2–393 Mutation：C59V, P120C, C125S, C140L, C150V, C242V, C251V, C269S Proto-oncogene tyrosine-protein kinase Src × 1 （P00523） Antibody fragment Fab30, heavy chain × 1 Vasopressin V2 receptor × 1 （P30518） Nanobody 32 × 1 Antibody fragment Fab30, light chain × 1 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.34 Å

Other States of the Same Protein in the Database

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

Other PDB Difference from Current Entry 9BT8 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
4JQI Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide Deposited 2013-03-20 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–393（392 aa）
Not recorded CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；17% PEG 3350, 0.1 M HEPES, 0.2 M L-proline , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.60 Å R-free 0.247
4JQI Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide Deposited 2013-03-20 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 2–393（392 aa）
Not recorded CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 6 PRO PROLINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；17% PEG 3350, 0.1 M HEPES, 0.2 M L-proline , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.60 Å R-free 0.247
6KL7 Beta-arrestin 1 mutant S13D/T275D Deposited 2019-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–418（418 aa）
Mutation：S13D, T275D BA BARIUM ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.05 M HEPES 7.5, 70 mM BaCl2, 9% PEG 3550
Resolution 2.79 Å R-free 0.274
6KL7 Beta-arrestin 1 mutant S13D/T275D Deposited 2019-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–418（418 aa）
Mutation：S13D, T275D BA BARIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.05 M HEPES 7.5, 70 mM BaCl2, 9% PEG 3550
Resolution 2.79 Å R-free 0.274
6U1N GPCR-Beta arrestin structure in lipid bilayer Deposited 2019-08-16 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 2–393（392 aa）
Not recorded 2CU 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.00 Å
8GO8 Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 Deposited 2022-08-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–418（418 aa）
Chain B 1–418（418 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；Blotted for 3 seconds before plunging.
Resolution 3.41 Å
8GP3 Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4 Deposited 2022-08-25 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–418（418 aa）
Chain B 1–418（418 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；Blotted for 3 seconds before plunging.
Resolution 4.80 Å
8HST The structure of rat beta-arrestin1 Deposited 2022-12-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–394（394 aa）
Mutation：C59V,C125S,C140S,C150V,C242V,C251V,C269S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；5% (w/v) PEG 8000, 100mM Imidazole/ Hydrochloric acid pH 8.0, 100mM Calcium acetate
Resolution 2.66 Å R-free 0.248
8HST The structure of rat beta-arrestin1 Deposited 2022-12-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–394（394 aa）
Mutation：C59V,C125S,C140S,C150V,C242V,C251V,C269S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；5% (w/v) PEG 8000, 100mM Imidazole/ Hydrochloric acid pH 8.0, 100mM Calcium acetate
Resolution 2.66 Å R-free 0.248
8HSV The structure of rat beta-arrestin1 in complex with a rat Mdm2 peptide Deposited 2022-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–394（394 aa）
Chain B 1–394（394 aa）
Mutation：C59V,C125S,C140S,C150V,C242V,C251V,C269S Mutation：C59V,C125S,C140S,C150V,C242V,C251V,C269S SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；1M ammonium sulfate, 0.1M HEPES pH 9.5, 5mM n-dodecyl-b-iminodipropionic acid, monosodium salt
Resolution 3.00 Å R-free 0.208
8I0N Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine) Deposited 2023-01-11 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–418（418 aa）
Chain B 1–418（418 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；Blotted for 3 seconds before plunging.
Resolution 3.26 Å
8I0Q Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4 (Local refine) Deposited 2023-01-11 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–418（418 aa）
Chain B 1–418（418 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE；Blotted for 3 seconds before plunging.
Resolution 4.45 Å
8J8Z Structure of beta-arrestin1 in complex with D6Rpp Deposited 2023-05-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–418（418 aa）
Chain B 1–418（418 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
8JA3 Structure of beta-arrestin1 in complex with C3aRpp Deposited 2023-05-05 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–357（357 aa）
Chain B 1–357（357 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.94 Å
9CX3 Structure of SH3 domain of Src in complex with beta-arrestin 1 Deposited 2024-07-30 Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 2–393（392 aa）
Mutation：C59V, P120C, C125S, C140L, C150V, C242V, C251V, C269S 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 Different mutation/modification Different oligomeric state Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 2–393（392 aa）
Mutation：C59V, E92C, C125S, C140L, C150V, C242V, C251V, C269S No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.34 Å
9DNG Structure of rat beta-arrestin 1 by fiducial-assisted cryo-EM Deposited 2024-09-17 Different construct Different mutation/modification Different oligomeric state Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–176（175 aa）
Chain A 182–393（212 aa）
Mutation：M29W, H124I, R128L Mutation：M29W, H124I, R128L No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.52 Å
9DNM Structure of rat beta-arrestin 1 bound to allosteric inhibitor Deposited 2024-09-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–176（175 aa）
Chain A 182–393（212 aa）
Mutation：M29W, H124I, R128L Mutation：M29W, H124I, R128L ODN (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.47 Å
9KYU Structure of beta-arrestin1 in complex with mouse C5aR1pp Deposited 2024-12-09 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 1–418（418 aa）
Chain D 1–418（418 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.72 Å

16 other PDB entries and 19 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ARRB1_RAT
Isoform —
PDB entities 5
Chains and sequence ranges Author chain B； PDBConstruct 1–392； UniProt 2–393

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

SAXS scattering curve SAXS Profile

SAXS profile for 9bt8

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9bt8
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9bt8
Deposition date deposition_date2024-05-14
Structure title titleStructure of Src in complex with beta-arrestin 1 revealing SH3 binding sites
Keywords keywordsGPCR signaling, arrestin, Src, SH3, SIGNALING PROTEIN-IMMUNE SYSTEM complex, SIGNALING PROTEIN; SIGNALING PROTEIN
Experimental Method methodELECTRON MICROSCOPY
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier31.81 Å
Radius of gyration Rg (electron density) rg_electron31.21 Å
Forward intensity I(0) i0105365000.00
Molecular weight molecular_weight81111.0 kDa
Excluded volume excluded_volume101510 ų
Envelope volume envelope_volume134920 ų
Hydration-shell volume shell_volume36838 ų
Envelope diameter envelope_diameter117.7 Å
Shell Rg shell_rg37.33 Å
Envelope Rg envelope_rg30.99 Å
Shape Rg shape_rg31.19 Å
Total Rg total_rg31.84 Å
Total atoms total_atoms5712
Residues n_residues722
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax113.0 Å
Rg (real space) rg_real31.80 Å
Rg uncertainty (real space) rg_real_error1.13 Å
I(0) (real space) i0_real1.0540e+08
I(0) uncertainty (real space) i0_real_error1.9180e+06
Rg (reciprocal space) rg_reciprocal31.80 Å
I(0) (reciprocal space) i0_reciprocal105400000.0000
Solution quality estimate total_estimate0.8682
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary40.7 Å
Skewness Skewness skewness0.324
Kurtosis Kurtosis kurtosis-0.224
Angular range angular_range— – 0.2500 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha19990000.0000
Real-space data points n_real_points51
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.780; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.968
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

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8. Citations (2)

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9. Files and Curves (10)