4j9h

Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8

Method: X-RAY DIFFRACTION D_max: 72.0 Å Quality: GOOD

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Tyrosine-protein kinase ABL1

Homo sapiens

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 60–121	片段：SH3 domain	P7 × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8；288 K；2M ammonium sulphate, 10% glicerol and 0.1 M Tris-HCl , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 288K	分辨率 1.70 Å R-free 0.209
2	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 B； UniProt 60–121	片段：SH3 domain	P7 × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8；288 K；2M ammonium sulphate, 10% glicerol and 0.1 M Tris-HCl , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 288K	分辨率 1.70 Å R-free 0.209
3	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 C； UniProt 60–121	片段：SH3 domain	P7 × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8；288 K；2M ammonium sulphate, 10% glicerol and 0.1 M Tris-HCl , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 288K	分辨率 1.70 Å R-free 0.209
4	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 D； UniProt 60–121	片段：SH3 domain	P7 × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8；288 K；2M ammonium sulphate, 10% glicerol and 0.1 M Tris-HCl , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 288K	分辨率 1.70 Å R-free 0.209
5	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 E； UniProt 60–121	片段：SH3 domain	P7 × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8；288 K；2M ammonium sulphate, 10% glicerol and 0.1 M Tris-HCl , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 288K	分辨率 1.70 Å R-free 0.209
6	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 F； UniProt 60–121	片段：SH3 domain	P7 × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8；288 K；2M ammonium sulphate, 10% glicerol and 0.1 M Tris-HCl , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 288K	分辨率 1.70 Å R-free 0.209

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 4J9H	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1AB2 THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY 2 DOMAIN OF C-ABL 提交 1993-07-19	构建体不同聚集状态不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 120–220（101 aa）	未记录	未记录非水小分子	SOLUTION NMR mmCIF 未提供已读取条件	分辨率未提供
1AWO THE SOLUTION NMR STRUCTURE OF ABL SH3 AND ITS RELATIONSHIP TO SH2 IN THE SH(32) CONSTRUCT, 20 STRUCTURES 提交 1997-10-03	构建体不同突变/修饰不同聚集状态不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 65–119（55 aa）片段：SRC-HOMOLOGY 3 (SH3) DOMAIN	突变：N64S, N120S	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7.5；298 K	分辨率未提供
1BBZ CRYSTAL STRUCTURE OF THE ABL-SH3 DOMAIN COMPLEXED WITH A DESIGNED HIGH-AFFINITY PEPTIDE LIGAND: IMPLICATIONS FOR SH3-LIGAND INTERACTIONS 提交 1998-04-28	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 64–121（58 aa）片段：SH3 DOMAIN	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 3.1；CRYSTALS WITH DIMENSIONS 0.25X0.25X0.25 MM3 WERE OBTAINED AT ROOM TEMPERATURE BY VAPOUR DIFFUSION AGAINST A RESERVOIR CONTAINING 0.1 M CITRIC ACID PH 3.1, 2 M AMMONIUM SULPHATE, 0.2 M SODIUM CHLORIDE, AND 1MM DTT/EDTA. THE HANGING DROP CONTAINED 1:1 RATIO OF RESERVOIR AND PROTEIN-PEPTIDE SOLUTIONS., vapor diffusion	分辨率 1.65 Å R-free 0.266
1BBZ CRYSTAL STRUCTURE OF THE ABL-SH3 DOMAIN COMPLEXED WITH A DESIGNED HIGH-AFFINITY PEPTIDE LIGAND: IMPLICATIONS FOR SH3-LIGAND INTERACTIONS 提交 1998-04-28	构建体不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 64–121（58 aa）片段：SH3 DOMAIN	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 3.1；CRYSTALS WITH DIMENSIONS 0.25X0.25X0.25 MM3 WERE OBTAINED AT ROOM TEMPERATURE BY VAPOUR DIFFUSION AGAINST A RESERVOIR CONTAINING 0.1 M CITRIC ACID PH 3.1, 2 M AMMONIUM SULPHATE, 0.2 M SODIUM CHLORIDE, AND 1MM DTT/EDTA. THE HANGING DROP CONTAINED 1:1 RATIO OF RESERVOIR AND PROTEIN-PEPTIDE SOLUTIONS., vapor diffusion	分辨率 1.65 Å R-free 0.266
1BBZ CRYSTAL STRUCTURE OF THE ABL-SH3 DOMAIN COMPLEXED WITH A DESIGNED HIGH-AFFINITY PEPTIDE LIGAND: IMPLICATIONS FOR SH3-LIGAND INTERACTIONS 提交 1998-04-28	构建体不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 64–121（58 aa）片段：SH3 DOMAIN	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 3.1；CRYSTALS WITH DIMENSIONS 0.25X0.25X0.25 MM3 WERE OBTAINED AT ROOM TEMPERATURE BY VAPOUR DIFFUSION AGAINST A RESERVOIR CONTAINING 0.1 M CITRIC ACID PH 3.1, 2 M AMMONIUM SULPHATE, 0.2 M SODIUM CHLORIDE, AND 1MM DTT/EDTA. THE HANGING DROP CONTAINED 1:1 RATIO OF RESERVOIR AND PROTEIN-PEPTIDE SOLUTIONS., vapor diffusion	分辨率 1.65 Å R-free 0.266
1BBZ CRYSTAL STRUCTURE OF THE ABL-SH3 DOMAIN COMPLEXED WITH A DESIGNED HIGH-AFFINITY PEPTIDE LIGAND: IMPLICATIONS FOR SH3-LIGAND INTERACTIONS 提交 1998-04-28	构建体不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 G 64–121（58 aa）片段：SH3 DOMAIN	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 3.1；CRYSTALS WITH DIMENSIONS 0.25X0.25X0.25 MM3 WERE OBTAINED AT ROOM TEMPERATURE BY VAPOUR DIFFUSION AGAINST A RESERVOIR CONTAINING 0.1 M CITRIC ACID PH 3.1, 2 M AMMONIUM SULPHATE, 0.2 M SODIUM CHLORIDE, AND 1MM DTT/EDTA. THE HANGING DROP CONTAINED 1:1 RATIO OF RESERVOIR AND PROTEIN-PEPTIDE SOLUTIONS., vapor diffusion	分辨率 1.65 Å R-free 0.266
1JU5 Ternary complex of an Crk SH2 domain, Crk-derived phophopeptide, and Abl SH3 domain by NMR spectroscopy 提交 2001-08-23	构建体不同突变/修饰不同聚集状态不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 62–122（61 aa）片段：Abl SH3 domain	突变：L122K	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 6.8；303 K；离子强度（mmCIF原始值）50mM sodium phosphate；压力 ambient NMR样品组成 0.6-1.5mM Crk SH2 domain U-15N, 13C; 50mM sodium phosphate pH6.8, 0.02% sodium azide \| 90% H2O/10% D2O	分辨率未提供
1OPL Structural basis for the auto-inhibition of c-Abl tyrosine kinase 提交 2003-03-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–531（531 aa）片段：N-terminal 531 residues (MYR-SH3-SH2-Kinase domain)	突变：D382N, K29R, E29D	MYR MYRISTIC ACID × 1 P16 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.8 M ammonium tartrate , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.42 Å R-free 0.315
1OPL Structural basis for the auto-inhibition of c-Abl tyrosine kinase 提交 2003-03-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–531（531 aa）片段：N-terminal 531 residues (MYR-SH3-SH2-Kinase domain)	突变：D382N, K29R, E29D	P16 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.8 M ammonium tartrate , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.42 Å R-free 0.315
1OPL Structural basis for the auto-inhibition of c-Abl tyrosine kinase 提交 2003-03-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–531（531 aa）片段：N-terminal 531 residues (MYR-SH3-SH2-Kinase domain)	突变：D382N, K29R, E29D	MYR MYRISTIC ACID × 2 P16 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.8 M ammonium tartrate , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.42 Å R-free 0.315
1ZZP Solution structure of the F-actin binding domain of Bcr-Abl/c-Abl 提交 2005-06-14	构建体不同聚集状态不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1007–1130（124 aa）片段：F-actin binding domain (residues 1007-1130)	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 6.3；295 K；离子强度（mmCIF原始值）20mM sodium phosphate, 150mM NaCl, 0.02% (w/v) NaN3；压力 ambient NMR测量条件 pH 6.3；295 K；离子强度（mmCIF原始值）20mM sodium phosphate, 150mM NaCl, 0.02% (w/v) NaN3；压力 ambient NMR样品组成 1mM U-15N,13C Bcr-Abl/c-Abl FABD, 20mM phosphate buffer, 100mM NaCl, 0.02% NaN3, 5mM DTT, 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR样品组成 1mM U-15N,13C Bcr-Abl/c-Abl FABD, 20mM phosphate buffer, 100mM NaCl, 0.02% NaN3, 5mM DTT, 100% D2O \| 100% D2O	分辨率未提供
2ABL SH3-SH2 DOMAIN FRAGMENT OF HUMAN BCR-ABL TYROSINE KINASE 提交 1996-11-17	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 57–218（162 aa）片段：SH3-SH2 DOMAIN FRAGMENT	突变：INS(M76)	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.50 Å R-free 0.270
2E2B Crystal structure of the c-Abl kinase domain in complex with INNO-406 提交 2006-11-10	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–515（287 aa）片段：kinase domain	未记录	406 N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL) BENZAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1M MES, 25% PEG 4000, 0.3M magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.20 Å R-free 0.270
2E2B Crystal structure of the c-Abl kinase domain in complex with INNO-406 提交 2006-11-10	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–515（287 aa）片段：kinase domain	未记录	406 N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL) BENZAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1M MES, 25% PEG 4000, 0.3M magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.20 Å R-free 0.270
2G1T A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 229–512（284 aa）片段：Kinase Domain	未记录	MG MAGNESIUM ION × 1 112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2M Sodium Acetate, 100mM Sodium Cacodylate pH 6.5, 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.80 Å R-free 0.244
2G1T A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 229–512（284 aa）片段：Kinase Domain	未记录	MG MAGNESIUM ION × 1 112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2M Sodium Acetate, 100mM Sodium Cacodylate pH 6.5, 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.80 Å R-free 0.244
2G1T A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 229–512（284 aa）片段：Kinase Domain	未记录	MG MAGNESIUM ION × 1 112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2M Sodium Acetate, 100mM Sodium Cacodylate pH 6.5, 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.80 Å R-free 0.244
2G1T A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 229–512（284 aa）片段：Kinase Domain	未记录	MG MAGNESIUM ION × 1 112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；0.2M Sodium Acetate, 100mM Sodium Cacodylate pH 6.5, 25% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.80 Å R-free 0.244
2G2F A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-15	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 229–512（284 aa）片段：Abl Kinase Domain	突变：H396P	112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1M Bis-Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.70 Å R-free 0.286
2G2F A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–512（284 aa）片段：Abl Kinase Domain	突变：H396P	AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1M Bis-Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.70 Å R-free 0.286
2G2H A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–512（284 aa）片段：Abl Tyrosine Kinase Domain	突变：H396P	P16 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 3.5；291 K；0.1M citric acid pH 3.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.00 Å R-free 0.213
2G2H A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–512（284 aa）片段：Abl Tyrosine Kinase Domain	突变：H396P	P16 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 3.5；291 K；0.1M citric acid pH 3.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.00 Å R-free 0.213
2G2I A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 229–512（284 aa）片段：Abl Tyrosine Kinase Domain	突变：H396P	ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；2M sodium malonate , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 3.12 Å R-free 0.308
2G2I A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 229–512（284 aa）片段：Abl Tyrosine Kinase Domain	突变：H396P	ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；2M sodium malonate , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 3.12 Å R-free 0.308
2G2I A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 8 PDB 声明：octameric	链 A 229–512（284 aa）片段：Abl Tyrosine Kinase Domain 链 B 229–512（284 aa）片段：Abl Tyrosine Kinase Domain	突变：H396P 突变：H396P	ADP ADENOSINE-5'-DIPHOSPHATE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；2M sodium malonate , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 3.12 Å R-free 0.308
2G2I A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain 提交 2006-02-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 229–512（284 aa）片段：Abl Tyrosine Kinase Domain 链 B 229–512（284 aa）片段：Abl Tyrosine Kinase Domain	突变：H396P 突变：H396P	ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；2M sodium malonate , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 3.12 Å R-free 0.308
2GQG X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain 提交 2006-04-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）片段：kinase domain, residues 229-500	非标准单体：是（mmCIF未提供具体位点）	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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22% w/v PEG3350, 0.2 M MgSO4, 0.1 M MES buffer, pH 6.5, vapor diffusion, hanging drop, temperature 293K	分辨率 2.40 Å R-free 0.273
2GQG X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain 提交 2006-04-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–500（272 aa）片段：kinase domain, residues 229-500	非标准单体：是（mmCIF未提供具体位点）	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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22% w/v PEG3350, 0.2 M MgSO4, 0.1 M MES buffer, pH 6.5, vapor diffusion, hanging drop, temperature 293K	分辨率 2.40 Å R-free 0.273
2HIW Crystal Structure of Inactive Conformation Abl Kinase Catalytic Domain Complexed with Type II Inhibitor 提交 2006-06-29	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 230–512（283 aa）片段：kinase catalytic domain	未记录	7MP 7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；298 K；18-20% PEG4000, 100mM MES pH5.5, 200mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.50	分辨率 2.20 Å R-free 0.309
2HIW Crystal Structure of Inactive Conformation Abl Kinase Catalytic Domain Complexed with Type II Inhibitor 提交 2006-06-29	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 230–512（283 aa）片段：kinase catalytic domain	未记录	7MP 7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；298 K；18-20% PEG4000, 100mM MES pH5.5, 200mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.50	分辨率 2.20 Å R-free 0.309
2HYY Human Abl kinase domain in complex with imatinib (STI571, Glivec) 提交 2006-08-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 228–500（273 aa）	未记录	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结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；16 % PEG 8000, 1M MES pH 6.75, 0.2 M MgAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.40 Å R-free 0.267
2HYY Human Abl kinase domain in complex with imatinib (STI571, Glivec) 提交 2006-08-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 228–500（273 aa）	未记录	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结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；16 % PEG 8000, 1M MES pH 6.75, 0.2 M MgAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.40 Å R-free 0.267
2HYY Human Abl kinase domain in complex with imatinib (STI571, Glivec) 提交 2006-08-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 228–500（273 aa）	未记录	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结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；16 % PEG 8000, 1M MES pH 6.75, 0.2 M MgAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.40 Å R-free 0.267
2HYY Human Abl kinase domain in complex with imatinib (STI571, Glivec) 提交 2006-08-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 228–500（273 aa）	未记录	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结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；16 % PEG 8000, 1M MES pH 6.75, 0.2 M MgAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.40 Å R-free 0.267
2HZ0 Abl kinase domain in complex with NVP-AEG082 提交 2006-08-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 228–497（270 aa）	未记录	GIN 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；28 % PEG 4000, 0.1 M Tris.HCl pH 8.0, 0.2 M NaAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.256
2HZ0 Abl kinase domain in complex with NVP-AEG082 提交 2006-08-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 228–497（270 aa）	未记录	GIN 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；28 % PEG 4000, 0.1 M Tris.HCl pH 8.0, 0.2 M NaAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.256
2HZ4 Abl kinase domain unligated and in complex with tetrahydrostaurosporine 提交 2006-08-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 228–500（273 aa）	未记录	4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；12 % PEG 8000, 0.1 M HEPES pH 7.5, 0.2 M MgAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.80 Å R-free 0.285
2HZ4 Abl kinase domain unligated and in complex with tetrahydrostaurosporine 提交 2006-08-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 228–500（273 aa）	未记录	4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；12 % PEG 8000, 0.1 M HEPES pH 7.5, 0.2 M MgAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.80 Å R-free 0.285
2HZ4 Abl kinase domain unligated and in complex with tetrahydrostaurosporine 提交 2006-08-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 228–500（273 aa）	未记录	4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；12 % PEG 8000, 0.1 M HEPES pH 7.5, 0.2 M MgAcetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.80 Å R-free 0.285
2HZI Abl kinase domain in complex with PD180970 提交 2006-08-09	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）	未记录	JIN 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；0.9 M NaAcetate, 0.1 M NaCacodylate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.70 Å R-free 0.204
2HZI Abl kinase domain in complex with PD180970 提交 2006-08-09	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–500（272 aa）	未记录	JIN 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；0.9 M NaAcetate, 0.1 M NaCacodylate pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.70 Å R-free 0.204
2O88 Crystal structure of the N114A mutant of ABL-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions 提交 2006-12-12	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 64–121（58 aa）片段：SH3 domain, residues 64-121	突变：N114A	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 Capillary counter diffusion；pH 7；293 K；Ammoniun sulphate, pH 7, Capillary counter diffusion, temperature 293K	分辨率 1.75 Å R-free 0.213
2O88 Crystal structure of the N114A mutant of ABL-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions 提交 2006-12-12	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 64–121（58 aa）片段：SH3 domain, residues 64-121	突变：N114A	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 Capillary counter diffusion；pH 7；293 K；Ammoniun sulphate, pH 7, Capillary counter diffusion, temperature 293K	分辨率 1.75 Å R-free 0.213
2V7A Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 提交 2007-07-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–512（284 aa）片段：KINASE DOMAIN, RESIDUES 229-512	突变：YES 非标准单体：是（mmCIF未提供具体位点）	627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 20% PEG 4000 ,1M HEPES PH 7.0, 0.1 M MGCL2,	分辨率 2.50 Å R-free 0.246
2V7A Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 提交 2007-07-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–512（284 aa）片段：KINASE DOMAIN, RESIDUES 229-512	突变：YES 非标准单体：是（mmCIF未提供具体位点）	627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 20% PEG 4000 ,1M HEPES PH 7.0, 0.1 M MGCL2,	分辨率 2.50 Å R-free 0.246
3CS9 Human ABL kinase in complex with nilotinib 提交 2008-04-09	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）片段：KINASE DOMAIN (UNP residues 229-500)	未记录	NIL Nilotinib × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；10.5 % PEG 5000 MME, 0.1 M MES pH 5.5, 0.05 ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.21 Å R-free 0.242
3CS9 Human ABL kinase in complex with nilotinib 提交 2008-04-09	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–500（272 aa）片段：KINASE DOMAIN (UNP residues 229-500)	未记录	NIL Nilotinib × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；10.5 % PEG 5000 MME, 0.1 M MES pH 5.5, 0.05 ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.21 Å R-free 0.242
3CS9 Human ABL kinase in complex with nilotinib 提交 2008-04-09	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 229–500（272 aa）片段：KINASE DOMAIN (UNP residues 229-500)	未记录	NIL Nilotinib × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；10.5 % PEG 5000 MME, 0.1 M MES pH 5.5, 0.05 ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.21 Å R-free 0.242
3CS9 Human ABL kinase in complex with nilotinib 提交 2008-04-09	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 229–500（272 aa）片段：KINASE DOMAIN (UNP residues 229-500)	未记录	NIL Nilotinib × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；10.5 % PEG 5000 MME, 0.1 M MES pH 5.5, 0.05 ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.21 Å R-free 0.242
3EG0 Crystal structure of the N114T mutant of ABL-SH3 domain 提交 2008-09-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–121（62 aa）片段：SH3 DOMAIN, RESIDUES 60-121	突变：N114T	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；288 K；2M ammonium sulphate, 5% PEG300, 10% glycerol, and 0.1 M of buffer solution, pH 7, vapor diffusion, hanging drop, temperature 288K	分辨率 2.30 Å R-free 0.283
3EG1 Crystal structure of the N114Q mutant of ABL-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions 提交 2008-09-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 60–121（62 aa）片段：SH3 DOMAIN, RESIDUES 60-121 链 B 60–121（62 aa）片段：SH3 DOMAIN, RESIDUES 60-121	突变：N114Q 突变：N114Q	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 3.5；288 K；2M ammonium sulphate, 0.4 M NaCl, 0.1 M sodium citrate, 10% glycerol, pH 3.5, vapor diffusion, hanging drop, temperature 288K	分辨率 1.85 Å R-free 0.248
3EG1 Crystal structure of the N114Q mutant of ABL-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions 提交 2008-09-10	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 60–121（62 aa）片段：SH3 DOMAIN, RESIDUES 60-121	突变：N114Q	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 3.5；288 K；2M ammonium sulphate, 0.4 M NaCl, 0.1 M sodium citrate, 10% glycerol, pH 3.5, vapor diffusion, hanging drop, temperature 288K	分辨率 1.85 Å R-free 0.248
3EG1 Crystal structure of the N114Q mutant of ABL-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions 提交 2008-09-10	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 60–121（62 aa）片段：SH3 DOMAIN, RESIDUES 60-121	突变：N114Q	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 3.5；288 K；2M ammonium sulphate, 0.4 M NaCl, 0.1 M sodium citrate, 10% glycerol, pH 3.5, vapor diffusion, hanging drop, temperature 288K	分辨率 1.85 Å R-free 0.248
3EG2 Crystal structure of the N114Q mutant of ABL-SH3 domain 提交 2008-09-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–121（62 aa）片段：SH3 DOMAIN, RESIDUES 60-121	突变：N114Q	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 3；288 K；2M ammonium sulphate, 5% PEG300, 10% glycerol, and 0.1 M of buffer solution, vapor diffusion, hanging drop, temperature 288K	分辨率 1.80 Å R-free 0.268
3EG3 Crystal structure of the N114A mutant of ABL-SH3 domain 提交 2008-09-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–121（62 aa）片段：SH3 DOMAIN, RESIDUES 60-121	突变：N114A	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 3；288 K；2M ammonium sulphate, 5% PEG300, 10% glycerol, and 0.1 M of buffer solution, vapor diffusion, hanging drop, temperature 288K	分辨率 1.40 Å R-free 0.240
3EGU Crystal structure of the N114A mutant of ABL-SH3 domain 提交 2008-09-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–121（62 aa）片段：SH3 DOMAIN, RESIDUES 60-121	突变：N114A	SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；288 K；2M ammonium sulphate, 5% PEG300, 10% glycerol, and 0.1 M of buffer solution, pH 7, vapor diffusion, hanging drop, temperature 288K	分辨率 2.25 Å R-free 0.267
3K2M Crystal Structure of Monobody HA4/Abl1 SH2 Domain Complex 提交 2009-09-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 121–232（112 aa）片段：SH2 Domain (UNP residues 121-232)	未记录	PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 4000, 0.2M sodium acetate trihydrate, 0.1M Tris hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.75 Å R-free 0.221
3K2M Crystal Structure of Monobody HA4/Abl1 SH2 Domain Complex 提交 2009-09-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 121–232（112 aa）片段：SH2 Domain (UNP residues 121-232)	未记录	PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；30% PEG 4000, 0.2M sodium acetate trihydrate, 0.1M Tris hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.75 Å R-free 0.221
3PYY Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site 提交 2010-12-13	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–512（284 aa）片段：UNP residues 266-549	未记录	SO4 SULFATE ION × 2 STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 3YY (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20 mgs/ml protein in 20 mM Tris-HCl, pH 8.0, 100 mM NaCl, 3 mM DTT and 5% (v/v) glycerol. Reservoir with 0.4 M ammonium phosphate. Cryo w/ 15%-30% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.85 Å R-free 0.204
3PYY Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site 提交 2010-12-13	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–512（284 aa）片段：UNP residues 266-549	未记录	SO4 SULFATE ION × 1 STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 3YY (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione × 1 2PE NONAETHYLENE GLYCOL × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；20 mgs/ml protein in 20 mM Tris-HCl, pH 8.0, 100 mM NaCl, 3 mM DTT and 5% (v/v) glycerol. Reservoir with 0.4 M ammonium phosphate. Cryo w/ 15%-30% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.85 Å R-free 0.204
3QRI The crystal structure of human abl1 kinase domain in complex with DCC-2036 提交 2011-02-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–499（271 aa）片段：Kinase domain, UNP residues 229-499	未记录	NA SODIUM ION × 2 919 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.2；290 K；32% PEG 3000, 100MM TRIS PH 8.2, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K	分辨率 2.10 Å R-free 0.272
3QRI The crystal structure of human abl1 kinase domain in complex with DCC-2036 提交 2011-02-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–499（271 aa）片段：Kinase domain, UNP residues 229-499	未记录	919 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.2；290 K；32% PEG 3000, 100MM TRIS PH 8.2, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K	分辨率 2.10 Å R-free 0.272
3QRI The crystal structure of human abl1 kinase domain in complex with DCC-2036 提交 2011-02-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 229–499（271 aa）片段：Kinase domain, UNP residues 229-499 链 B 229–499（271 aa）片段：Kinase domain, UNP residues 229-499	未记录	NA SODIUM ION × 2 919 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.2；290 K；32% PEG 3000, 100MM TRIS PH 8.2, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K	分辨率 2.10 Å R-free 0.272
3QRJ The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036 提交 2011-02-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–499（271 aa）片段：Kinase domain, UNP residues 229-499	突变：T315I	919 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.1；290 K；29% PEG 3350, 100MM BISTRIS PH 7.1, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K	分辨率 1.82 Å R-free 0.286
3QRJ The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036 提交 2011-02-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–499（271 aa）片段：Kinase domain, UNP residues 229-499	突变：T315I	919 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.1；290 K；29% PEG 3350, 100MM BISTRIS PH 7.1, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K	分辨率 1.82 Å R-free 0.286
3QRJ The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036 提交 2011-02-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 229–499（271 aa）片段：Kinase domain, UNP residues 229-499 链 B 229–499（271 aa）片段：Kinase domain, UNP residues 229-499	突变：T315I 突变：T315I	919 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.1；290 K；29% PEG 3350, 100MM BISTRIS PH 7.1, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K	分辨率 1.82 Å R-free 0.286
3QRK The crystal structure of human abl1 kinase domain in complex with DP-987 提交 2011-02-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–499（271 aa）片段：Kinase domain, UNP residues 229-499	未记录	9DP (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.2；290 K；32% PEG 3000, 100MM TRIS PH 8.2, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K	分辨率 2.30 Å R-free 0.281
3T04 Crystal structure of monobody 7c12/abl1 sh2 domain complex 提交 2011-07-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 112–232（121 aa）片段：SH2 DOMAIN (UNP RESIDUES 112-232)	未记录	GOL GLYCEROL × 4 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；0.2M MG(NO3)2, 100MM LICL, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 292K, pH 6.0	分辨率 2.10 Å R-free 0.251
3T04 Crystal structure of monobody 7c12/abl1 sh2 domain complex 提交 2011-07-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 112–232（121 aa）片段：SH2 DOMAIN (UNP RESIDUES 112-232)	未记录	GOL GLYCEROL × 4 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；0.2M MG(NO3)2, 100MM LICL, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 292K, pH 6.0	分辨率 2.10 Å R-free 0.251
3T04 Crystal structure of monobody 7c12/abl1 sh2 domain complex 提交 2011-07-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 112–232（121 aa）片段：SH2 DOMAIN (UNP RESIDUES 112-232)	未记录	GOL GLYCEROL × 4 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；0.2M MG(NO3)2, 100MM LICL, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 292K, pH 6.0	分辨率 2.10 Å R-free 0.251
3UE4 Structural and spectroscopic analysis of the kinase inhibitor bosutinib binding to the Abl tyrosine kinase domain 提交 2011-10-28	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–512（284 aa）	未记录	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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1M Ammonium Acetate 0.1M BisTris pH 5.5 11% PEG 10K, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.42 Å R-free 0.249
3UE4 Structural and spectroscopic analysis of the kinase inhibitor bosutinib binding to the Abl tyrosine kinase domain 提交 2011-10-28	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–512（284 aa）	未记录	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结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1M Ammonium Acetate 0.1M BisTris pH 5.5 11% PEG 10K, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.42 Å R-free 0.249
3UYO Crystal structure of monobody SH13/ABL1 SH2 domain complex 提交 2011-12-06	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 112–232（121 aa）片段：SH2 domain, UNP residues 112-232	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；292 K；0.2M MGCL2, 0.1M BIS-TRIS PH 5.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 292K	分辨率 1.83 Å R-free 0.237
4J9B Crystal structure of the Abl-SH3 domain H59Q-N96T mutant 提交 2013-02-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	突变：H59Q, N96T	PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；1.6 M AMS, 5% PEG 200,10% Glycerol, 40 mM LiSO4, 0.1 M AcONa , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.70 Å R-free 0.213
4J9C Crystal structure of the Abl-SH3 domain H59Q-N96T mutant complexed with the designed high-affinity peptide ligand P17 提交 2013-02-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	突变：H59Q, N96T	PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；1.5 M AMS, 5% PEG 200, 20 mM LiCl, 0.1 M AcONa , pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.05 Å R-free 0.162
4J9D Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0 提交 2013-02-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	突变：N114A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；2M Ammonium sulphate, 5% PEG200, 0.05M MgCl2, 0.1M Mes , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.50 Å R-free 0.183
4J9D Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0 提交 2013-02-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	突变：N114A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；2M Ammonium sulphate, 5% PEG200, 0.05M MgCl2, 0.1M Mes , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.50 Å R-free 0.183
4J9D Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P0 提交 2013-02-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	突变：N114A	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；2M Ammonium sulphate, 5% PEG200, 0.05M MgCl2, 0.1M Mes , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.50 Å R-free 0.183
4J9E Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17 提交 2013-02-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	突变：N114A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；2M Ammonium sulphate, 5% PEG300 , 0.05M LiCl, 0.1M Hepes , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.40 Å R-free 0.192
4J9E Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17 提交 2013-02-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	突变：N114A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；2M Ammonium sulphate, 5% PEG300 , 0.05M LiCl, 0.1M Hepes , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.40 Å R-free 0.192
4J9E Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17 提交 2013-02-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	突变：N114A	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；2M Ammonium sulphate, 5% PEG300 , 0.05M LiCl, 0.1M Hepes , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.40 Å R-free 0.192
4J9F Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0 提交 2013-02-16	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7；298 K；2M Ammonium sulphate, 5% PEG300, 0.05M Litium Formate, 10 % glycerol, 0.1M MOPS , pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.09 Å R-free 0.169
4J9F Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0 提交 2013-02-16	构建体不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7；298 K；2M Ammonium sulphate, 5% PEG300, 0.05M Litium Formate, 10 % glycerol, 0.1M MOPS , pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.09 Å R-free 0.169
4J9F Crystal structure of the Abl-SH3 domain complexed with the high affinity peptide P0 提交 2013-02-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	未记录	SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；298 K；2M Ammonium sulphate, 5% PEG300, 0.05M Litium Formate, 10 % glycerol, 0.1M MOPS , pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.09 Å R-free 0.169
4J9G Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH7 提交 2013-02-16	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；2M ammonium sulphate, 50 mM Litium Formiate, 10% glicerol, and 0.1 M MOPS , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.80 Å R-free 0.244
4J9G Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH7 提交 2013-02-16	构建体不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；2M ammonium sulphate, 50 mM Litium Formiate, 10% glicerol, and 0.1 M MOPS , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.80 Å R-free 0.244
4J9G Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH7 提交 2013-02-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	未记录	SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；2M ammonium sulphate, 50 mM Litium Formiate, 10% glicerol, and 0.1 M MOPS , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.80 Å R-free 0.244
4J9I Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17 提交 2013-02-16	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7；298 K；2.8 M ammonium sulphate, 5% PEG300, 0.1 M LiCl, 0.1 M Hepes, capillary, pH 7, LIQUID DIFFUSION, temperature 298K	分辨率 2.20 Å R-free 0.233
4J9I Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17 提交 2013-02-16	构建体不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7；298 K；2.8 M ammonium sulphate, 5% PEG300, 0.1 M LiCl, 0.1 M Hepes, capillary, pH 7, LIQUID DIFFUSION, temperature 298K	分辨率 2.20 Å R-free 0.233
4J9I Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17 提交 2013-02-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 60–121（62 aa）片段：SH3 domain (unp residues 60-121)	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7；298 K；2.8 M ammonium sulphate, 5% PEG300, 0.1 M LiCl, 0.1 M Hepes, capillary, pH 7, LIQUID DIFFUSION, temperature 298K	分辨率 2.20 Å R-free 0.233
4JJB Crystal structure of the Abl-SH3 domain at pH3 提交 2013-03-07	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–121（62 aa）片段：SH3 domain, UNP residues 60-121	未记录	PEG DI(HYDROXYETHYL)ETHER × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 capillary counterdiffusion；pH 3；298 K；3M ammonium sulphate, 5% PEG 200, 0.05M glycine, capillary counterdiffusion, temperature 298K	分辨率 1.65 Å R-free 0.225
4JJC Crystal structure of the Abl-SH3 domain at pH5 提交 2013-03-07	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–121（62 aa）片段：SH3 domain, UNP residues 60-121	未记录	PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 capillary counterdiffusion；pH 5；298 K；1.5M ammonium sulphate, 5% PEG 300, 0.1M acetate, capillary counterdiffusion, temperature 298K	分辨率 1.60 Å R-free 0.218
4JJD Crystal structure of the N114A Abl-SH3 domain mutant at pH4 提交 2013-03-07	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 60–121（62 aa）片段：SH3 domain, UNP residues 60-121	突变：N114A	PEG DI(HYDROXYETHYL)ETHER × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4；298 K；1.5M ammonium sulphate, 5% PEG 300, 10% Glycerol, 0.1M sodium acetate, pH 4, vapor diffusion, hanging drop, temperature 298K	分辨率 1.60 Å R-free 0.218
4TWP The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib 提交 2014-07-01	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 233–503（271 aa）片段：UNP residues 252-522	突变：T315I	AXI AXITINIB × 1 NI NICKEL (II) ION × 2 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；286.15 K；0.1 M HEPES (pH 7.00) 15.0 %w/v PEG 3350 0.01 M Magnesium chloride hexahydrate 0.0050 M Nickel(II) chloride hexahydrate 5.0 %v/v Glycerol	分辨率 2.40 Å R-free 0.241
4TWP The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib 提交 2014-07-01	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 233–503（271 aa）片段：UNP residues 252-522	突变：T315I	AXI AXITINIB × 1 NI NICKEL (II) ION × 2 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；286.15 K；0.1 M HEPES (pH 7.00) 15.0 %w/v PEG 3350 0.01 M Magnesium chloride hexahydrate 0.0050 M Nickel(II) chloride hexahydrate 5.0 %v/v Glycerol	分辨率 2.40 Å R-free 0.241
4WA9 The crystal structure of human abl1 wild type kinase domain in complex with axitinib 提交 2014-08-28	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 246–512（267 aa）片段：UNP residues 246-512	未记录	AXI AXITINIB × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；294.15 K；0.1 M Ammonium Chloride 20.0 %w/v PEG 3350 5.0 %v/v Ethylene glycol	分辨率 2.20 Å R-free 0.212
4WA9 The crystal structure of human abl1 wild type kinase domain in complex with axitinib 提交 2014-08-28	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 246–512（267 aa）片段：UNP residues 246-512	未记录	AXI AXITINIB × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；294.15 K；0.1 M Ammonium Chloride 20.0 %w/v PEG 3350 5.0 %v/v Ethylene glycol	分辨率 2.20 Å R-free 0.212
4XEY Crystal structure of an SH2-kinase domain construct of c-Abl tyrosine kinase 提交 2014-12-25	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 119–515（397 aa）片段：UNP residues 119-515	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；0.1M sodium citrate, 8% PEG 8000	分辨率 2.89 Å R-free 0.259
4XEY Crystal structure of an SH2-kinase domain construct of c-Abl tyrosine kinase 提交 2014-12-25	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 119–515（397 aa）片段：UNP residues 119-515	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；0.1M sodium citrate, 8% PEG 8000	分辨率 2.89 Å R-free 0.259
4YC8 C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase 提交 2015-02-19	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 248–531（284 aa）片段：UNP residues 248-531	未记录	4B7 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH 6.5, 22% PEG 3350, 100 mM NaOAc	分辨率 2.90 Å R-free 0.240
4YC8 C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase 提交 2015-02-19	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 248–531（284 aa）片段：UNP residues 248-531	未记录	4B7 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES pH 6.5, 22% PEG 3350, 100 mM NaOAc	分辨率 2.90 Å R-free 0.240
4ZOG VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations. 提交 2015-05-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–511（283 aa）片段：UNP residues 229-511	未记录	VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE × 1 MXE 2-METHOXYETHANOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；277 K；PEG MME2000 (31% w/v), MES (100 mM, pH 6.5) and sodium acetate (260mM).	分辨率 2.30 Å R-free 0.233
4ZOG VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations. 提交 2015-05-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–511（283 aa）片段：UNP residues 229-511	未记录	VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.6；277 K；PEG MME2000 (31% w/v), MES (100 mM, pH 6.5) and sodium acetate (260mM).	分辨率 2.30 Å R-free 0.233
5DC0 CRYSTAL STRUCTURE OF MONOBODY GG3/ABL1 SH2 DOMAIN COMPLEX 提交 2015-08-22	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 131–251（121 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.1M sodium tartrate pH=8 and 25% w/v polyethylene glycol 3350	分辨率 2.23 Å R-free 0.244
5DC4 CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL A 提交 2015-08-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 131–251（121 aa）	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.83；291 K；0.1M Imidazole pH 7.83 and 3.5M NaCl	分辨率 1.48 Å R-free 0.190
5DC9 CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL B 提交 2015-08-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 131–251（121 aa）	未记录	GOL GLYCEROL × 5 IMD IMIDAZOLE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.1M Imidazole pH 8.5 and 3.4M NaCl	分辨率 1.56 Å R-free 0.171
5HU9 Crystal structure of ABL1 in complex with CHMFL-074 提交 2016-01-27	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）片段：UNP residues 229-500	未记录	66K 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide × 2 EDO 1,2-ETHANEDIOL × 12 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M Potassium thiocyanate, 28% PEG2000	分辨率 1.53 Å R-free 0.196
5MO4 ABL1 kinase (T334I_D382N) in complex with asciminib and nilotinib 提交 2016-12-13	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 27–515（489 aa）	突变：T334I D382N	NIL Nilotinib × 1 AY7 asciminib × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Reservoir: 18 % (W/V) PEG 3350, 0.2 M POTASSIUM FORMATE, 0.1 M TRIS PH 7.5 Protein: 35.7 MG/ML 20 MM TRIS PH 8, 200 MM NACL, 2 MM TCEP Protocol: 0.6 UL protein solution plus 0.6 UL reservoir solution	分辨率 2.17 Å R-free 0.217
5NP2 Abl1 SH3 pTyr89/134 提交 2017-04-13	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 64–120（57 aa）	非标准单体：是（mmCIF未提供具体位点）	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.8 M sodium citrate, 0.1 M sodium cacodylate	分辨率 1.60 Å R-free 0.222
5NP2 Abl1 SH3 pTyr89/134 提交 2017-04-13	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 64–120（57 aa）	非标准单体：是（mmCIF未提供具体位点）	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.8 M sodium citrate, 0.1 M sodium cacodylate	分辨率 1.60 Å R-free 0.222
5OAZ Crystal structure of the Abl-SH3 domain at pH 7.5 提交 2017-06-25	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 79–140（62 aa）片段：SH3 DOMAIN	未记录	PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.65 M Ammonium sulphate, 0.1 M Hepes and 6% PEG 300	分辨率 1.03 Å R-free 0.163
5OAZ Crystal structure of the Abl-SH3 domain at pH 7.5 提交 2017-06-25	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 79–140（62 aa）片段：SH3 DOMAIN	未记录	PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.65 M Ammonium sulphate, 0.1 M Hepes and 6% PEG 300	分辨率 1.03 Å R-free 0.163
6AMV Abl 1b Regulatory Module 'inhibiting state' 提交 2017-08-11	构建体不同聚集状态不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–255（255 aa）片段：residues 1-255	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7；298 K；离子强度（mmCIF原始值）0.2；压力 1 NMR样品组成 0.3 mM [U-99% 13C; U-99% 15N] Abl1b, 20 mM potassium phosphate, 5 mM beta-mercaptoethanol, 100 mM potassium chloride, 0.05 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
6AMW Abl1b Regulatory Module 'Activating' conformation 提交 2017-08-11	构建体不同聚集状态不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–255（255 aa）片段：residues 1-255	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7；298 K；离子强度（mmCIF原始值）120；压力 1 NMR样品组成 0.3 mM [U-99% 13C; U-99% 15N] Abl1b, 20 mM potassium phosphate, 100 mM potassium chloride, 5 mM beta-mercaptoethanol, 0.05 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
6BL8 Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models 提交 2017-11-09	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 233–504（272 aa）片段：UNP residues 233-504	未记录	PVB PURVALANOL B × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；295 K；100 mM sodium citrate, pH 5.6, 1850 mM ammonium sulfate, 140 mM potassium sodium tartrate	分辨率 2.50 Å R-free 0.204
6BL8 Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models 提交 2017-11-09	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 233–504（272 aa）片段：UNP residues 233-504	未记录	PVB PURVALANOL B × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；295 K；100 mM sodium citrate, pH 5.6, 1850 mM ammonium sulfate, 140 mM potassium sodium tartrate	分辨率 2.50 Å R-free 0.204
6NPE C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide 提交 2019-01-17	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 229–512（284 aa）链 B 229–512（284 aa）	未记录	SO4 SULFATE ION × 4 STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 2 KWD 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide × 2 2PE NONAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；277 K；20 mM Tris-HCl [pH 8.0] 100 mM NaCl 3 mM DTT, and 5% (v/v) glycerol. 1-3 % PEG300, 2M AmSO4 Cryo: 20% glycerol	分辨率 2.15 Å R-free 0.212
6NPU C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide 提交 2019-01-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 229–512（284 aa）链 B 229–512（284 aa）	未记录	STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 2 KWV ~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide × 2 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 2PE NONAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；277 K；1 - 3 % PEG 400 2M AmSO4 0.1 HEPES pH 7.5 cryo: 20% Glycerol	分辨率 2.33 Å R-free 0.234
6NPV C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide 提交 2019-01-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–512（284 aa）	未记录	SO4 SULFATE ION × 1 STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 KWP ~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；277 K；1 - 3 % PEG 400 0.1 HEPES pH 7.5 2M AmSO4	分辨率 1.86 Å R-free 0.207
6NPV C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide 提交 2019-01-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–512（284 aa）	未记录	SO4 SULFATE ION × 2 STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 KWP ~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide × 1 GOL GLYCEROL × 2 2PE NONAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；277 K；1 - 3 % PEG 400 0.1 HEPES pH 7.5 2M AmSO4	分辨率 1.86 Å R-free 0.207
6XR6 Abl 1b isoform active state 提交 2020-07-11	构建体不同聚集状态不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–515（287 aa）	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7.1；283 K；离子强度（mmCIF原始值）100；压力 1 NMR样品组成 250 uM [U-15N] Abl 1b isoform (Active), 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM b-mercaptoethanol, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR样品组成 250 uM [U-100% 13C; U-100% 15N; U-100% 2H] Abl 1b isoform (Active), 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM b-mercaptoethanol, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
6XR7 Abl isoform 1b inactive1 state 提交 2020-07-11	构建体不同聚集状态不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–515（287 aa）	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 6.5；283 K；离子强度（mmCIF原始值）100；压力 1 NMR样品组成 250 uM U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12 Abl M309L/H415P Variant, 5 mM beta-mercaptoethanol, 25 mM sodium phosphate, 75 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR样品组成 250 uM U-15N U-2H U-1H13C ILVMAT CH3 and Phe HE12-CE12 Abl M309L/H415P, 5 mM beta-mercaptoethanol, 25 mM sodium phosphate, 75 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
6XRG Abl 1b isoform inactive2 state 提交 2020-07-12	构建体不同突变/修饰不同聚集状态不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–515（287 aa）	突变：G269E, M309L, T408Y	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7.7；283 K；离子强度（mmCIF原始值）100；压力 1 NMR样品组成 250 uM [U-100% 13C; U-100% 15N; U-100% 2H] Abl 1b G269E/M309L/T408Y variant, 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM beta-mercaptoethanol, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR样品组成 250 uM N-ILVMAT-FY Abl 1b G269E/M309L/T408Y variant, 25 mM sodium phosphate, 75 mM sodium chloride, 2.5 mM beta-mercaptoethanol, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
7CC2 Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors 提交 2020-06-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–510（282 aa）	未记录	FVC [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277.15 K；7 % w/v Polyethylene glycol 8000, 100 mM MES pH 6.5, 20 % v/v Ethylene glycol	分辨率 2.72 Å R-free 0.242
7CC2 Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors 提交 2020-06-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–510（282 aa）	未记录	FVC [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277.15 K；7 % w/v Polyethylene glycol 8000, 100 mM MES pH 6.5, 20 % v/v Ethylene glycol	分辨率 2.72 Å R-free 0.242
7DT2 Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors 提交 2021-01-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–510（282 aa）	未记录	HJ9 [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；1% Tryptone, 0.05M Hepes sodium pH 7, 20% w/v Polyethylene glycol 3350	分辨率 2.30 Å R-free 0.237
7DT2 Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors 提交 2021-01-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–510（282 aa）	未记录	HJ9 [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；1% Tryptone, 0.05M Hepes sodium pH 7, 20% w/v Polyethylene glycol 3350	分辨率 2.30 Å R-free 0.237
7N9G Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib 提交 2021-06-17	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–499（271 aa）	未记录	STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 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 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277.15 K；Ammonium dihydrogen phosphate	分辨率 2.20 Å R-free 0.251
7N9G Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib 提交 2021-06-17	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–499（271 aa）	未记录	STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 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结晶条件 VAPOR DIFFUSION, SITTING DROP；277.15 K；Ammonium dihydrogen phosphate	分辨率 2.20 Å R-free 0.251
7N9G Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib 提交 2021-06-17	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 229–499（271 aa）	未记录	STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1 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结晶条件 VAPOR DIFFUSION, SITTING DROP；277.15 K；Ammonium dihydrogen phosphate	分辨率 2.20 Å R-free 0.251
7PVQ Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in the space group P21221 提交 2021-10-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 63–120（58 aa）	突变：V73E, A74S, S75R, G76T, D77E, G92N, Y93N, N94T, H95E	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；1.8M ammonium sulfate, 0.1M MES	分辨率 1.55 Å R-free 0.274
7PVQ Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in the space group P21221 提交 2021-10-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 63–120（58 aa）	突变：V73E, A74S, S75R, G76T, D77E, G92N, Y93N, N94T, H95E	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；1.8M ammonium sulfate, 0.1M MES	分辨率 1.55 Å R-free 0.274
7PVR Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in the space group P41 提交 2021-10-05	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 63–120（58 aa）	突变：V73E, A74S, S75R, G76T, D77E, G92N, Y93N, N94T, H95E	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；1.8M ammonium sulfate, 0.1M MES	分辨率 1.65 Å R-free 0.209
7PVS Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in presence of PEG 200 提交 2021-10-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 63–120（58 aa）	突变：V73E, A74S, S75R, G76T, D77E, G92N, Y93N, N94T, H95E	PGE TRIETHYLENE GLYCOL × 1 NA SODIUM ION × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；283 K；2.6 M ammonium sulfate, 5% PEG200, 10% Glicerol, 40mM LiCl, 0.1M MES	分辨率 1.05 Å R-free 0.184
7PVS Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in presence of PEG 200 提交 2021-10-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 63–120（58 aa）	突变：V73E, A74S, S75R, G76T, D77E, G92N, Y93N, N94T, H95E	PEG DI(HYDROXYETHYL)ETHER × 1 P6G HEXAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；283 K；2.6 M ammonium sulfate, 5% PEG200, 10% Glicerol, 40mM LiCl, 0.1M MES	分辨率 1.05 Å R-free 0.184
7W7X The crystal structure of human abl1 kinase domain in complex with ABL1-A11 提交 2021-12-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 229–500（272 aa）链 B 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	8DW 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.0 M (NH4)2SO4 and 0.1 M HEPES (pH 7.0).	分辨率 2.00 Å R-free 0.195
7W7Y The crystal structure of human abl1 kinase domain in complex with ABL2-A5 提交 2021-12-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 229–504（276 aa）链 B 229–504（276 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	8IW 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5 M (NH4)2 SO4, 0.1M HEPES (pH 7.0) and 4%(v/v) 1,3-Propanediol.	分辨率 2.20 Å R-free 0.201
8H7F The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA 提交 2022-10-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	QEW 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5M (NH4)2 SO4, 0.1M HEPES (PH 7.0) and 4% v/v 1,3-Propanediol.	分辨率 2.45 Å R-free 0.234
8H7F The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA 提交 2022-10-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	QEW 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5M (NH4)2 SO4, 0.1M HEPES (PH 7.0) and 4% v/v 1,3-Propanediol.	分辨率 2.45 Å R-free 0.234
8H7H The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA 提交 2022-10-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	QH9 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5 M (NH4)2SO4, 0.1 M HEPES (pH 7.0) and 4% v/v 1,3-propanediol	分辨率 2.28 Å R-free 0.221
8H7H The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA 提交 2022-10-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	QH9 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5 M (NH4)2SO4, 0.1 M HEPES (pH 7.0) and 4% v/v 1,3-propanediol	分辨率 2.28 Å R-free 0.221
8I7S The crystal structure of human abl1 kinase domain in complex with ABL1-B1 提交 2023-02-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	6CI 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5M (NH4)2SO4, 0.1M HEPES (PH 7.0), 4% v/v 1,3-Propanediol	分辨率 1.95 Å R-free 0.216
8I7S The crystal structure of human abl1 kinase domain in complex with ABL1-B1 提交 2023-02-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	6CI 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5M (NH4)2SO4, 0.1M HEPES (PH 7.0), 4% v/v 1,3-Propanediol	分辨率 1.95 Å R-free 0.216
8I7T The crystal structure of human abl1 kinase domain in complex with ABL1-B4 提交 2023-02-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	6I5 [3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5M (NH4)2SO4, 0.1M HEPES, PH 7.0, 4% v/v 1,3-Propanediol	分辨率 2.80 Å R-free 0.272
8I7T The crystal structure of human abl1 kinase domain in complex with ABL1-B4 提交 2023-02-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	6I5 [3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5M (NH4)2SO4, 0.1M HEPES, PH 7.0, 4% v/v 1,3-Propanediol	分辨率 2.80 Å R-free 0.272
8I7Z The crystal structure of human abl1 kinase domain in complex with ABL1-B5 提交 2023-02-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	6CI 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide × 1 BAL BETA-ALANINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5M (NH4)2 SO4, 0.1M HEPES (PH 7.0) and 4% v/v 1,3-Propanediol	分辨率 2.25 Å R-free 0.213
8I7Z The crystal structure of human abl1 kinase domain in complex with ABL1-B5 提交 2023-02-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	6CI 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1.5M (NH4)2 SO4, 0.1M HEPES (PH 7.0) and 4% v/v 1,3-Propanediol	分辨率 2.25 Å R-free 0.213
8SSN Abl kinase in complex with SKI and asciminib 提交 2023-05-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 64–510（447 aa）	未记录	AY7 asciminib × 1 SKI 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291.15 K；Crystals of AblFL in complex with SKI and asciminib were obtained by combining 0.3 ul of 600 uM AblFL + 700 uM SKI + 700 uM asciminib (~32 mg/ml) in 5 percent DMSO with 0.4 ul reservoir of 0.1 M Tris-HCl pH 8 + 1.75 M Ammonium sulfate + 2 percent (v/v) polypropylene glycol 400 (PPG 400). The final stock of complex was concentrated from 1 uM AblFL with ~1.2 uM SKI/asciminib after incubation at 4 degree C for 6 h. Screening around this condition yielded crystals in a transparent diamond-shaped or plate-shaped crystals. Crystals were grown at 18 degree C by sitting drop for a few days. The crystals were transferred to a drop of fresh reservoir containing 20 percent Xylitol with matching concentration of inhibitors in 5 percent DMSO for few seconds for cryo-protection	分辨率 2.86 Å R-free 0.348
8SSN Abl kinase in complex with SKI and asciminib 提交 2023-05-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 64–510（447 aa）	未记录	AY7 asciminib × 1 SKI 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；291.15 K；Crystals of AblFL in complex with SKI and asciminib were obtained by combining 0.3 ul of 600 uM AblFL + 700 uM SKI + 700 uM asciminib (~32 mg/ml) in 5 percent DMSO with 0.4 ul reservoir of 0.1 M Tris-HCl pH 8 + 1.75 M Ammonium sulfate + 2 percent (v/v) polypropylene glycol 400 (PPG 400). The final stock of complex was concentrated from 1 uM AblFL with ~1.2 uM SKI/asciminib after incubation at 4 degree C for 6 h. Screening around this condition yielded crystals in a transparent diamond-shaped or plate-shaped crystals. Crystals were grown at 18 degree C by sitting drop for a few days. The crystals were transferred to a drop of fresh reservoir containing 20 percent Xylitol with matching concentration of inhibitors in 5 percent DMSO for few seconds for cryo-protection	分辨率 2.86 Å R-free 0.348
9KS5 The crystal structure of ABL1 in complex with K-CNBA-1 提交 2024-11-29	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298.15 K；0.1 M Sodium citrate, 2% Tacinate (pH 5.0) and 16% w/v PEG 3350	分辨率 2.20 Å R-free 0.212
9KS5 The crystal structure of ABL1 in complex with K-CNBA-1 提交 2024-11-29	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 229–500（272 aa）	非标准单体：是（mmCIF未提供具体位点）	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298.15 K；0.1 M Sodium citrate, 2% Tacinate (pH 5.0) and 16% w/v PEG 3350	分辨率 2.20 Å R-free 0.212

共 80 个其他 PDB 条目、151 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	ABL1_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 2–63； UniProt 60–121 作者链 B； PDB构建体 2–63； UniProt 60–121 作者链 C； PDB构建体 2–63； UniProt 60–121 作者链 D； PDB构建体 2–63； UniProt 60–121 作者链 E； PDB构建体 2–63； UniProt 60–121 作者链 F； PDB构建体 2–63； UniProt 60–121

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

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

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	4j9h
沉积日期 deposition_date	2013-02-16
结构标题 title	Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8
关键词 keywords	beta shandwich, SH3 domain, kinase, poly proline rich motifs, transferase, Transferase-unknown function complex; Transferase/unknown function
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	23.50 Å
回转半径 Rg (电子) rg_electron	22.22 Å
零角强度 I(0) i0	32672600.00
分子量 molecular_weight	44512.0 kDa
排除体积 excluded_volume	55834 Å³
包络体积 envelope_volume	68258 Å³
水化壳体积 shell_volume	25576 Å³
包络直径 envelope_diameter	72.0 Å
壳层 Rg shell_rg	29.09 Å
包络 Rg envelope_rg	21.94 Å
形状 Rg shape_rg	22.19 Å
总 Rg total_rg	23.19 Å
总原子数 total_atoms	5935
残基数 n_residues	403
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	72.0 Å
Rg (实空间) rg_real	23.35 Å
Rg 误差 (实空间) rg_real_error	0.37 Å
I(0) (实空间) i0_real	3.2670e+07
I(0) 误差 (实空间) i0_real_error	3.9540e+05
Rg (倒空间) rg_reciprocal	23.38 Å
I(0) (倒空间) i0_reciprocal	32670000.0000
解质量估计 total_estimate	0.8963
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	32.1 Å
偏度 Skewness skewness	0.117
峰度 Kurtosis kurtosis	-0.382
角度范围 angular_range	— – 0.3400 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	14320000.0000
实空间数据点数 n_real_points	66
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.888; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.994

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (4)

实体 1 Entity 1 polymer

描述 description	Tyrosine-protein kinase ABL1
分子量 formula_weight	7009.7 kDa
EC 编号 ec_number	2.7.10.2
来源方法 src_method	man
拷贝数 entity_count	6

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F
原子数 atom_count	6331

MENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNS

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 polymer

描述 description	P7
分子量 formula_weight	1059.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	G,H,I,J,K,L

XAPTYPPPPPP

实体 3 Entity 3 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 4 Entity 4 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	384

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7. 折叠分类 (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

结构域编号 domain_id	4j9hA00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	40 — SH3 Domains

结构域编号 domain_id	4j9hB00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	40 — SH3 Domains

结构域编号 domain_id	4j9hC00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	40 — SH3 Domains

结构域编号 domain_id	4j9hD00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	40 — SH3 Domains

结构域编号 domain_id	4j9hE00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	40 — SH3 Domains

结构域编号 domain_id	4j9hF00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	30 — Roll
拓扑 Topology topology	30 — SH3 type barrels.
同源超家族 H-superfamily homologous superfamily	40 — SH3 Domains

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8. 引用文献 (3)

▶

晶胞边长 a length_a	86.553 Å
晶胞边长 b length_b	86.553 Å
晶胞边长 c length_c	45.261 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	120.00 °
晶胞分子数 Z z_pdb	18

空间群 space_group	P 32
空间群编号 int_tables_number	145
晶系 crystal_system	—

分辨率 resolution	1.700 Å
最低分辨率 resolution_low	19.522 Å
R 因子 r_factor	0.1605
R_work r_work	0.1579
R_free r_free	0.2094

fit	/app/data/saxs_computation/j9/4j9h/4j9h.fit
pddf	/app/data/pr_computation/j9/4j9h/4j9h.pr.out
profile	/app/data/saxs_computation/j9/4j9h/4j9h.dat

Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8

1. 蛋白身份与相关结构 Protein Identity & Related Structures

Tyrosine-protein kinase ABL1

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

5. 晶体学与实验 5. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

6. 实体与聚合物信息 Entities & Polymers (4)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 polymer

聚合物 Polymer

实体 3 Entity 3 non-polymer

实体 4 Entity 4 water

7. 折叠分类 (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

8. 引用文献 (3)

9. 文件与曲线 (10)

Files (7)

Curves (3)