6e6e

DGY-06-116, a novel and selective covalent inhibitor of SRC kinase

Method: X-RAY DIFFRACTION D_max: 157.4 Å Quality: REASONABLE

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Proto-oncogene tyrosine-protein kinase Src

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 261–536	Not recorded	HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350	Resolution 2.15 Å R-free 0.285
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 261–536	Not recorded	HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350	Resolution 2.15 Å R-free 0.285
3	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain C； UniProt 261–536	Not recorded	HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350	Resolution 2.15 Å R-free 0.285
4	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain D； UniProt 261–536	Not recorded	HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350	Resolution 2.15 Å R-free 0.285
5	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain E； UniProt 261–536	Not recorded	HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350	Resolution 2.15 Å R-free 0.285
6	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain F； UniProt 261–536	Not recorded	HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350	Resolution 2.15 Å R-free 0.285
7	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain G； UniProt 261–536	Not recorded	HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350	Resolution 2.15 Å R-free 0.285
8	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain H； UniProt 261–536	Not recorded	HVY N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M Magnesium Formate Dihydrate; 15% PEG3350	Resolution 2.15 Å R-free 0.285

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 6E6E	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A07 C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 143–248（106 aa） Fragment：SH2 DOMAIN Chain B 143–248（106 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M MES, PH 6.5, 0.05 M CSCL, 30% JEFFAMINE M-600 AT 4 DEGREES C., pH 8.0, temperature 277K	Resolution 2.20 Å
1A08 C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 143–248（106 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2.1 M AMMONIUM SULFATE AT 4 C., temperature 277K	Resolution 2.20 Å
1A08 C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 143–248（106 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2.1 M AMMONIUM SULFATE AT 4 C., temperature 277K	Resolution 2.20 Å
1A09 C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine) Deposited 1997-12-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 143–248（106 aa） Fragment：SH2 DOMAIN Chain B 143–248（106 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2 M NAFORMATE AT 4 C. THE CRYSTAL WAS SOAKED IN 10% PEG400, 10% GLYCEROL PRIOR TO DATA COLLECTION, temperature 277K	Resolution 2.00 Å
1A09 C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine) Deposited 1997-12-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 143–248（106 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2 M NAFORMATE AT 4 C. THE CRYSTAL WAS SOAKED IN 10% PEG400, 10% GLYCEROL PRIOR TO DATA COLLECTION, temperature 277K	Resolution 2.00 Å
1A09 C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine) Deposited 1997-12-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 143–248（106 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；277 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6, 2 M NAFORMATE AT 4 C. THE CRYSTAL WAS SOAKED IN 10% PEG400, 10% GLYCEROL PRIOR TO DATA COLLECTION, temperature 277K	Resolution 2.00 Å
1A1A C-SRC (SH2 DOMAIN WITH C188A MUTATION) COMPLEXED WITH ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 143–248（106 aa） Fragment：SH2 DOMAIN Chain B 143–248（106 aa） Fragment：SH2 DOMAIN	Mutation：C188S Mutation：C188S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；277 K；PROTEIN WAS CRYSTALLIZED FROM 1.0 M LI2SO4, 2% PEG8000 AT 4C. THE CRYSTAL WAS SOAKED IN 25% GLYCEROL PRIOR TO DATA COLLECTION., pH 8.0, temperature 277K	Resolution 2.00 Å
1A1B C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) Deposited 1997-12-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 143–248（106 aa） Fragment：SH2 DOMAIN Chain B 143–248（106 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；277 K；PROTEIN WAS CRYSTALLIZED FROM 2M AMMONIUM SULFATE AT 4 DEGREES C., pH 8.0, temperature 277K	Resolution 2.20 Å
1A1C C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL)) Deposited 1997-12-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 143–248（106 aa） Fragment：SH2 DOMAIN Chain B 143–248（106 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；295 K；PROTEIN WAS CRYSTALLIZED FROM 0.1 M ACETATE, PH 4.6,2M AMMONIUM SULFATE AT 22 C., temperature 295K	Resolution 2.40 Å
1A1E C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE) Deposited 1997-12-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 143–248（106 aa） Fragment：SH2 DOMAIN Chain B 143–248（106 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；295 K；PROTEIN WAS CRYSTALLIZED FROM 2M AMMONIUM SULFATE AT 22 DEGREES C., pH 8.0, temperature 295K	Resolution 2.20 Å
1FMK CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC Deposited 1997-01-24	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 85–535（451 aa） Fragment：RESIDUES 86-836, CONTAINING SH2, SH3, KINASE 2 DOMAINS AND C-TERMINAL TAIL	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.50 Å R-free 0.264
1HCS NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX Deposited 1994-09-02	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 143–248（106 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
1HCT NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX Deposited 1994-09-02	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 143–248（106 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
1KSW Structure of Human c-Src Tyrosine Kinase (Thr338Gly Mutant) in Complex with N6-benzyl ADP Deposited 2002-01-14	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 85–535（451 aa） Fragment：SH3, SH2 and Kinase domains	Mutation：T338G Non-standard monomer：Yes (specific site not provided by mmCIF)	NBS N6-BENZYL ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；12% PEG 4000, 50mM PIPES pH 6.5, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.80 Å R-free 0.294
1O41 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78300. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	300 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.70 Å
1O42 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU81843. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	843 N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.70 Å
1O43 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82129. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	821 [4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET IC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.50 Å
1O44 Crystal structure of sh2 in complex with ru85052 Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	852 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.70 Å
1O45 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU84687. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	687 N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.80 Å
1O46 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU90395. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	903 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 2.00 Å
1O47 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82209. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	822 N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.80 Å
1O48 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85053. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	853 5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.55 Å
1O49 CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85493. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	493 {4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.70 Å
1O4A CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82197. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	197 4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-FORMYL-BENZOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.50 Å
1O4B CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU83876. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	876 N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.85 Å
1O4C CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHOSPHATE. Deposited 2003-06-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.80 Å
1O4D CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78262. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	262 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.85 Å
1O4E CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78299. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	299 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 2.00 Å
1O4F CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79073. Deposited 2003-06-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	790 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 2.00 Å
1O4G CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH DPI59. Deposited 2003-06-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	I59 HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.55 Å
1O4H CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79072. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	772 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 2.25 Å
1O4I CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PAS219. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	219 cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.75 Å
1O4J CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH ISO24. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	IS2 [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.70 Å
1O4K CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PASBN. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	PSN BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.57 Å
1O4L CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH FRAGMENT2. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.65 Å
1O4M CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH MALONICACID. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	MLA MALONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.60 Å
1O4N CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH OXALIC ACID. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	OXD OXALIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.60 Å
1O4O CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHENYLPHOSPHATE. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	HPS PHENYL DIHYDROGEN PHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.70 Å
1O4P CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78791. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	791 2-PHENYLMALONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.90 Å
1O4Q CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79256. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	256 PHENYL(SULFO)ACETIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.70 Å
1O4R CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78783. Deposited 2003-06-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–251（108 aa） Fragment：SH2 DOMAIN	Not recorded	787 (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；pH 5.50	Resolution 1.50 Å
1SHD PEPTIDE INHIBITORS OF SRC SH3-SH2-PHOSPHOPROTEIN INTERACTIONS Deposited 1994-11-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 143–248（106 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å
1Y57 Structure of unphosphorylated c-Src in complex with an inhibitor Deposited 2004-12-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 86–536（451 aa） Fragment：SH3 SH2 and KINASE domains	Not recorded	SO4 SULFATE ION × 5 MPZ 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；ammonium sulfate, tris, glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.91 Å R-free 0.213
1YI6 C-term tail segment of human tyrosine kinase (258-533) Deposited 2005-01-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 260–535（276 aa） Fragment：residues 258-533	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG 6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.252
1YI6 C-term tail segment of human tyrosine kinase (258-533) Deposited 2005-01-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 260–535（276 aa） Fragment：residues 258-533	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG 6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.252
1YOJ Crystal structure of Src kinase domain Deposited 2005-01-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 253–535（283 aa） Fragment：Src kinase domain	Mutation：S344N, A369S, Y418W	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K	Resolution 1.95 Å R-free 0.258
1YOJ Crystal structure of Src kinase domain Deposited 2005-01-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 253–535（283 aa） Fragment：Src kinase domain	Mutation：S344N, A369S, Y418W	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K	Resolution 1.95 Å R-free 0.258
1YOL Crystal structure of Src kinase domain in complex with CGP77675 Deposited 2005-01-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 253–535（283 aa） Fragment：SRC KINASE DOMAIN	Mutation：S344N, A369S	S03 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K	Resolution 2.30 Å R-free 0.247
1YOL Crystal structure of Src kinase domain in complex with CGP77675 Deposited 2005-01-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 253–535（283 aa） Fragment：SRC KINASE DOMAIN	Mutation：S344N, A369S	S03 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K	Resolution 2.30 Å R-free 0.247
1YOM Crystal structure of Src kinase domain in complex with Purvalanol A Deposited 2005-01-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 253–535（283 aa） Fragment：Src kinase domain	Mutation：S344N, A369S, Y418W	P01 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K	Resolution 2.90 Å R-free 0.313
1YOM Crystal structure of Src kinase domain in complex with Purvalanol A Deposited 2005-01-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 253–535（283 aa） Fragment：Src kinase domain	Mutation：S344N, A369S, Y418W	P01 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；20% ethylene glycol , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K	Resolution 2.90 Å R-free 0.313
2BDF Src kinase in complex with inhibitor AP23451 Deposited 2005-10-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 257–535（279 aa） Fragment：kinase domain	Not recorded	24A {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；15% PEG400, 50mM NaCl, 100mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.10 Å R-free 0.271
2BDF Src kinase in complex with inhibitor AP23451 Deposited 2005-10-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 257–535（279 aa） Fragment：kinase domain	Not recorded	24A {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；15% PEG400, 50mM NaCl, 100mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.10 Å R-free 0.271
2BDJ Src kinase in complex with inhibitor AP23464 Deposited 2005-10-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 257–535（279 aa） Fragment：kinase domain	Not recorded	HET 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；298 K；20% PEG3350, 200mM NH4NO3, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.50 Å R-free 0.277
2H8H Src kinase in complex with a quinazoline inhibitor Deposited 2006-06-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–535（535 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	H8H N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；288 K；50 mM PIPES pH 6.5, 10 mM DTT, 100 mM sodium chloride and 4 to 9% PEG4000 (w/v), VAPOR DIFFUSION, SITTING DROP, temperature 288K	Resolution 2.20 Å R-free 0.272
2SRC CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC, IN COMPLEX WITH AMP-PNP Deposited 1998-12-29	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 85–535（451 aa） Fragment：RESIDUES 86-836, CONTAINING SH2, SH3, KINASE 2 DOMAINS AND C-TERMINAL TAIL	Non-standard monomer：Yes (specific site not provided by mmCIF)	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；pH 6.5	Resolution 1.50 Å R-free 0.281
3VRO Crystal structure of the tyrosine kinase binding domain of Cbl-c in complex with phospho-Src peptide Deposited 2012-04-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 412–424（13 aa） Fragment：phospho-Src peptide, residues 412-424	Non-standard monomer：Yes (specific site not provided by mmCIF)	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；10% PEG3350, 0.1M ammonium formate, 0.1M NDSB-201, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.80 Å R-free 0.212
3ZMP Src-derived peptide inhibitor complex of PTP1B Deposited 2013-02-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 527–536（10 aa） Fragment：RESIDUES 527-536	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M MGCL2, 27.14W/V% PEG3350, 0.1M HEPES, PH=7.5	Resolution 2.62 Å R-free 0.271
3ZMP Src-derived peptide inhibitor complex of PTP1B Deposited 2013-02-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 527–536（10 aa） Fragment：RESIDUES 527-536	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M MGCL2, 27.14W/V% PEG3350, 0.1M HEPES, PH=7.5	Resolution 2.62 Å R-free 0.271
3ZMQ Src-derived mutant peptide inhibitor complex of PTP1B Deposited 2013-02-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 527–536（10 aa） Fragment：PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC RESIDUES 527-536	Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 0.2M MGCL2, 0.1M TRIS-HCL, PH=8.5 30% (W/V)POLYETHYLENE GLYCOL 4000	Resolution 3.30 Å R-free 0.304
4F59 Triple mutant Src SH2 domain Deposited 2012-05-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–252（109 aa） Fragment：SH2 domain	Mutation：T183V/C188A/K206L	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；0.1 M Tris-HCl, 18% PEG6000, 0.2 M lithium chloride, pH 7.6, vapor diffusion, sitting drop, temperature 277K	Resolution 1.71 Å R-free 0.246
4F5A Triple mutant Src SH2 domain bound to phosphate ion Deposited 2012-05-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–252（109 aa） Fragment：SH2 domain	Mutation：T183V/C188A/K206L	PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；0.1 M Tris-HCl, 18% PEG6000, 0.2 M lithium chloride, pH 7.6, vapor diffusion, sitting drop, temperature 277K	Resolution 1.80 Å R-free 0.245
4F5B Triple mutant Src SH2 domain bound to phosphotyrosine Deposited 2012-05-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 144–252（109 aa） Fragment：SH2 domain	Mutation：T183V/C188A/K206L	PTR O-PHOSPHOTYROSINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；0.1 M Tris-HCl, 18% PEG6000, 0.2 M lithium chloride, pH 7.6, vapor diffusion, sitting drop, temperature 277K	Resolution 1.57 Å R-free 0.230
4HXJ Crystal structure of SH3:RGT complex Deposited 2012-11-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 87–144（58 aa） Fragment：human c-Src SH3 domain, UNP residues 87-144	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；100mM Tris, pH 8.0, 1.3M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.00 Å R-free 0.193
4HXJ Crystal structure of SH3:RGT complex Deposited 2012-11-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 87–144（58 aa） Fragment：human c-Src SH3 domain, UNP residues 87-144	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；100mM Tris, pH 8.0, 1.3M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.00 Å R-free 0.193
4K11 The structure of 1NA in complex with Src T338G Deposited 2013-04-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 87–534（448 aa） Fragment：UNP residues 87-534	Mutation：T338G Non-standard monomer：Yes (specific site not provided by mmCIF)	0J9 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；50 mM PIPES, pH 6.5, 12% PEG4000, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.30 Å R-free 0.246
4MXO human Src kinase bound to kinase inhibitor bosutinib Deposited 2013-09-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536	Not recorded	DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.10 Å R-free 0.254
4MXO human Src kinase bound to kinase inhibitor bosutinib Deposited 2013-09-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536	Not recorded	DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.10 Å R-free 0.254
4MXX Human Src A403T mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536	Mutation：A403T	DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M Ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.276
4MXX Human Src A403T mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536	Mutation：A403T	DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M Ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.276
4MXY Src M314L T338M double mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536	Mutation：M314L T338M	DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.58 Å R-free 0.266
4MXY Src M314L T338M double mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536	Mutation：M314L T338M	DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.58 Å R-free 0.266
4MXZ Src M314L T338M double mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536	Mutation：M314L, T338M	DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.58 Å R-free 0.266
4MXZ Src M314L T338M double mutant bound to kinase inhibitor bosutinib Deposited 2013-09-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 254–536（283 aa） Fragment：Kinase domain, UNP residues 254-536	Mutation：M314L, T338M	DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0-4% PEG 3350, 0.2M ammonium acetate, 0.1M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.58 Å R-free 0.266
6ATE SRC kinase bound to covalent inhibitor Deposited 2017-08-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 254–536（283 aa）	Not recorded	6H3 N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide × 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%-20% PEG 3350, 350 mM - 420mM NaOAc	Resolution 2.40 Å R-free 0.228
6C4S Human cSrc SH3 Domain in complex with Choline Kinase fragment 60-69 Deposited 2018-01-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 87–144（58 aa） Fragment：SH3 domain residues 87-144 Chain B 87–144（58 aa） Fragment：SH3 domain residues 87-144	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M Zinc Acetate 0.1 M Sodium Cacodylate pH 6.5 10% v/v Isopropanol	Resolution 1.50 Å R-free 0.226
7NG7 Src kinase bound to eCF506 trapped in inactive conformation Deposited 2021-02-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 254–536（283 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 1 UCW tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；6% PEG3350, 300mM Ammonium acetate, 0.1M HEPES pH7.5, 10mM TCEP	Resolution 1.50 Å R-free 0.213
7OTE Src Kinase Domain in complex with ponatinib Deposited 2021-06-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 254–536（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 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；Tris 20 mM pH 8, 150 mM Sodium chloride, 1 mM DTT, 2-propanol and PEG 4.000	Resolution 2.49 Å R-free 0.252
7OTE Src Kinase Domain in complex with ponatinib Deposited 2021-06-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 254–536（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 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；Tris 20 mM pH 8, 150 mM Sodium chloride, 1 mM DTT, 2-propanol and PEG 4.000	Resolution 2.49 Å R-free 0.252
7T1U Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide Deposited 2021-12-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 147–251（105 aa） Fragment：SH2 domain	Mutation：Residues 180 to 188 mutated from SETTKGAYC to GQSQPDYV and K206I (numbered as residue 205 in these coordinates)	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；80 uM Zinc Acetate, 12% PEG3350, 100 mM Sodium Acetate (pH 4.0), and 2% 1,3-butanediol	Resolution 2.65 Å R-free 0.270
7T1U Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide Deposited 2021-12-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 147–251（105 aa） Fragment：SH2 domain	Mutation：Residues 180 to 188 mutated from SETTKGAYC to GQSQPDYV and K206I (numbered as residue 205 in these coordinates)	ZN ZINC ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；80 uM Zinc Acetate, 12% PEG3350, 100 mM Sodium Acetate (pH 4.0), and 2% 1,3-butanediol	Resolution 2.65 Å R-free 0.270
7YQE Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54. Deposited 2022-08-06	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 85–247（163 aa）	Mutation：C338S,C340S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1% v/v 1,4 Dioxane, 0.1 M Tris pH 7.5, 12.5% w/v Polyethylene glycol 3,350	Resolution 3.50 Å R-free 0.295
7YQE Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54. Deposited 2022-08-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 85–247（163 aa）	Mutation：C338S,C340S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1% v/v 1,4 Dioxane, 0.1 M Tris pH 7.5, 12.5% w/v Polyethylene glycol 3,350	Resolution 3.50 Å R-free 0.295
8HAQ The complex of Src with GW8510 Deposited 2022-10-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 266–542（277 aa）	Not recorded	L1N 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MOPS pH 7.0, 18% PEG 3350, 5% Glycerol, 5 mM TCEP	Resolution 2.27 Å R-free 0.250
8HAQ The complex of Src with GW8510 Deposited 2022-10-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 266–542（277 aa）	Not recorded	L1N 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MOPS pH 7.0, 18% PEG 3350, 5% Glycerol, 5 mM TCEP	Resolution 2.27 Å R-free 0.250
8JF3 C-Src in complex with compound 9 Deposited 2023-05-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 254–536（283 aa） Chain B 254–536（283 aa）	Not recorded	C0N 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；300 mM Sodium Acetate, 0.1 M MES pH 7.5, 4% PEG3350	Resolution 2.85 Å R-free 0.317
8JN8 Crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668 Deposited 2023-06-06	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–536（536 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	JA6 (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.2M tri-Lithium citrate, 20%(w/v) PEG 3350	Resolution 1.90 Å R-free 0.254
8JN9 Crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8 Deposited 2023-06-06	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–536（536 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	UJ0 N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.2M tri-Lithium citrate, 20%(w/v) PEG 3350	Resolution 2.72 Å R-free 0.279
8VCF Crystal structure of Superbinder Src SH2 domain with Cysteine to Serine mutations Deposited 2023-12-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 161–268（108 aa） Fragment：SH2 DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；VAPOR DIFFUSION,SITTING DROP, TEMPERATURE 290K 0.2 M Ammonium Fluoride, 20% PEG 3350	Resolution 1.50 Å R-free 0.177
8VCG Mutant Src SH2 domain in complex with phosphotyrosine Deposited 2023-12-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 161–267（107 aa） Fragment：SH2 DOMAIN	Not recorded	PTR O-PHOSPHOTYROSINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K 0.2 M Ammonium Fluoride, 20% PEG 3350	Resolution 1.61 Å R-free 0.176
9IRL Crystal structure analysis of LW-Srci-2o in complex with c-Src. Deposited 2024-07-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 86–536（451 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	A1L20 (2~{R})-2-[3,5-bis(fluoranyl)phenyl]-2-[2-chloranylethanoyl(cyclopropyl)amino]-~{N}-cyclopentyl-ethanamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；PEG 3350, Hepes 7.4	Resolution 2.03 Å R-free 0.243
9NS0 Ground state of Src kinase domain Deposited 2025-03-14	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 251–536（286 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 500；Pressure 1 NMR sample composition 250 uM [U-15N; U-2H] ILVMAT CH3 FY CEHE Proto-oncogene tyrosine-protein kinase Src, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 250 uM [U-13C; U-15N; U-2H] Proto-oncogene tyrosine-protein kinase Src, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
9NS1 Intermediate state of Src kinase domain Deposited 2025-03-15	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 251–536（286 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.5；303 K；Ionic strength (raw mmCIF value) 500；Pressure 1 NMR sample composition 250 uM [U-13C; U-15N; U-2H] SrcA311I kinase, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 250 uM [U-15N; U-2H] ILVMAT CH3 FY CEHE SrcA311I kinase, 25 mM potassium chloride, 500 mM sodium chloride, 3 mM BME, 1 mM EDTA, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
9OFX Crystal structure of c-Src SH3 domain in H32 space group mediated by nickel Deposited 2025-04-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 85–143（59 aa） Fragment：c-Src SH3 domain Chain B 85–143（59 aa） Fragment：c-Src SH3 domain Chain C 85–143（59 aa） Fragment：c-Src SH3 domain Chain D 85–143（59 aa） Fragment：c-Src SH3 domain	Not recorded	NI NICKEL (II) ION × 2 GOL GLYCEROL × 9	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.7 M Ammonium Sulfate, 5 mM NiCl2, 10% glycerol, 0.1 M HEPES pH 7.5	Resolution 1.45 Å R-free 0.196

76 other PDB entries and 94 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SRC_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–276； UniProt 261–536 Author chain B； PDBConstruct 1–276； UniProt 261–536 Author chain C； PDBConstruct 1–276； UniProt 261–536 Author chain D； PDBConstruct 1–276； UniProt 261–536 Author chain E； PDBConstruct 1–276； UniProt 261–536 Author chain F； PDBConstruct 1–276； UniProt 261–536 Author chain G； PDBConstruct 1–276； UniProt 261–536 Author chain H； PDBConstruct 1–276； UniProt 261–536

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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	6e6e
Deposition date deposition_date	2018-07-24
Structure title title	DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
Keywords keywords	PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, TRANSFERASE, TRANSFERASE-TRANSFERASE inhibitor complex; TRANSFERASE/TRANSFERASE inhibitor
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	46.43 Å
Radius of gyration Rg (electron density) rg_electron	46.13 Å
Forward intensity I(0) i0	851652000.00
Molecular weight molecular_weight	248020.0 kDa
Excluded volume excluded_volume	312960 Å³
Envelope volume envelope_volume	438400 Å³
Hydration-shell volume shell_volume	79458 Å³
Envelope diameter envelope_diameter	169.7 Å
Shell Rg shell_rg	50.67 Å
Envelope Rg envelope_rg	45.09 Å
Shape Rg shape_rg	46.14 Å
Total Rg total_rg	46.29 Å
Total atoms total_atoms	17436
Residues n_residues	2124
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	157.4 Å
Rg (real space) rg_real	46.36 Å
Rg uncertainty (real space) rg_real_error	1.17 Å
I(0) (real space) i0_real	8.5170e+08
I(0) uncertainty (real space) i0_real_error	1.5430e+07
Rg (reciprocal space) rg_reciprocal	46.43 Å
I(0) (reciprocal space) i0_reciprocal	851700000.0000
Solution quality estimate total_estimate	0.6473
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	55.5 Å
Skewness Skewness skewness	0.308
Kurtosis Kurtosis kurtosis	-0.231
Angular range angular_range	— – 0.1700 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	57850000.0000
Real-space data points n_real_points	35
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.836; Stabil: 1.000; Sysdev: 0.021; Positv: 1.000; Valcen: 0.990; Smooth: 0.847

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Proto-oncogene tyrosine-protein kinase Src
Molecular weight formula_weight	31656.4 kDa
EC 编号 ec_number	2.7.10.2
Source method src_method	man
Copy count entity_count	8

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H
Atom count atom_count	17919

DAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide
Molecular weight formula_weight	599.1 kDa
Source method src_method	syn
Copy count entity_count	8

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	435

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7. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (8 domains)

Domain ID domain_id	d6e6ea_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
Family Family family	d.144.1.7 — Protein kinases, catalytic subunit

Domain ID domain_id	d6e6eb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
Family Family family	d.144.1.7 — Protein kinases, catalytic subunit

Domain ID domain_id	d6e6ec_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
Family Family family	d.144.1.7 — Protein kinases, catalytic subunit

Domain ID domain_id	d6e6ed_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
Family Family family	d.144.1.7 — Protein kinases, catalytic subunit

Domain ID domain_id	d6e6ee_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
Family Family family	d.144.1.7 — Protein kinases, catalytic subunit

Domain ID domain_id	d6e6ef_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
Family Family family	d.144.1.7 — Protein kinases, catalytic subunit

Domain ID domain_id	d6e6eg_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
Family Family family	d.144.1.7 — Protein kinases, catalytic subunit

Domain ID domain_id	d6e6eh_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
Family Family family	d.144.1.7 — Protein kinases, catalytic subunit

CATH v4.4 (16 domains)

Domain ID domain_id	6e6eA01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

Domain ID domain_id	6e6eA02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

Domain ID domain_id	6e6eB01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

Domain ID domain_id	6e6eB02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

Domain ID domain_id	6e6eC01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

Domain ID domain_id	6e6eC02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

Domain ID domain_id	6e6eD01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

Domain ID domain_id	6e6eD02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

Domain ID domain_id	6e6eE01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

Domain ID domain_id	6e6eE02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

Domain ID domain_id	6e6eF01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

Domain ID domain_id	6e6eF02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

Domain ID domain_id	6e6eG01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

Domain ID domain_id	6e6eG02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

Domain ID domain_id	6e6eH01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

Domain ID domain_id	6e6eH02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

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8. Citations (1)

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Unit-cell length a length_a	63.534 Å
Unit-cell length b length_b	84.028 Å
Unit-cell length c length_c	120.109 Å
Unit-cell angle α angle_alpha	89.96 °
Unit-cell angle β angle_beta	90.05 °
Unit-cell angle γ angle_gamma	90.12 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 1
Space-group number int_tables_number	1
Crystal system crystal_system	—

Resolution resolution	2.150 Å
Low-resolution limit resolution_low	43.660 Å
R factor r_factor	0.2517
R_work r_work	0.2499
R_free r_free	0.2849

fit	/app/data/saxs_computation/e6/6e6e/6e6e.fit
pddf	/app/data/pr_computation/e6/6e6e/6e6e.pr.out
profile	/app/data/saxs_computation/e6/6e6e/6e6e.dat