3kcf

Crystal structure of TGFbRI complexed with a pyrazolone inhibitor

Method: X-RAY DIFFRACTION D_max: 133.9 Å Quality: GOOD

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

TGF-beta receptor type-1

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	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 162–503	片段：UNP residues 162-503, GS AND KINASE DOMAINS	JZO 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one × 1 PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.80 Å R-free 0.278
2	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 B； UniProt 162–503	片段：UNP residues 162-503, GS AND KINASE DOMAINS	JZO 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one × 1 PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.80 Å R-free 0.278
3	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 C； UniProt 162–503	片段：UNP residues 162-503, GS AND KINASE DOMAINS	JZO 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.80 Å R-free 0.278
4	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 D； UniProt 162–503	片段：UNP residues 162-503, GS AND KINASE DOMAINS	JZO 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one × 1 PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.80 Å R-free 0.278
5	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 E； UniProt 162–503	片段：UNP residues 162-503, GS AND KINASE DOMAINS	JZO 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one × 1 PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.80 Å R-free 0.278

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 3KCF	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
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 提交 1999-01-13	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 162–503（342 aa）片段：CYTOPLASMIC PORTION	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；pH 8.5	分辨率 2.60 Å R-free 0.269
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 提交 1999-01-13	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 162–503（342 aa）片段：CYTOPLASMIC PORTION	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；pH 8.5	分辨率 2.60 Å R-free 0.269
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 提交 1999-01-13	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 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 162–503（342 aa）片段：CYTOPLASMIC PORTION	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；pH 8.5	分辨率 2.60 Å R-free 0.269
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 提交 1999-01-13	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 4 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 H 162–503（342 aa）片段：CYTOPLASMIC PORTION	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；pH 8.5	分辨率 2.60 Å R-free 0.269
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 提交 1999-01-13	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 5 蛋白异源复合物异源复合物；蛋白 × 8 PDB 声明：octameric	链 B 162–503（342 aa）片段：CYTOPLASMIC PORTION 链 D 162–503（342 aa）片段：CYTOPLASMIC PORTION 链 F 162–503（342 aa）片段：CYTOPLASMIC PORTION 链 H 162–503（342 aa）片段：CYTOPLASMIC PORTION	未记录	SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；pH 8.5	分辨率 2.60 Å R-free 0.269
1IAS CYTOPLASMIC DOMAIN OF UNPHOSPHORYLATED TYPE I TGF-BETA RECEPTOR CRYSTALLIZED WITHOUT FKBP12 提交 2001-03-23	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 × 5 PDB 声明：pentameric	链 A 162–503（342 aa）片段：CYTOPLASMIC DOMAIN (RESIDUES 162-503) 链 B 162–503（342 aa）片段：CYTOPLASMIC DOMAIN (RESIDUES 162-503) 链 C 162–503（342 aa）片段：CYTOPLASMIC DOMAIN (RESIDUES 162-503) 链 D 162–503（342 aa）片段：CYTOPLASMIC DOMAIN (RESIDUES 162-503) 链 E 162–503（342 aa）片段：CYTOPLASMIC DOMAIN (RESIDUES 162-503)	未记录	SO4 SULFATE ION × 15	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；100 mM MES pH 5.8, 2.4 M ammonium sulfate, 10 % glycerol v/v, 150 mM NaCl, 1 mM NPC-30345, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.90 Å R-free 0.284
1PY5 Crystal Structure of TGF-beta receptor I kinase with inhibitor 提交 2003-07-08	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 175–500（326 aa）片段：Truncated kinase domain, residues 175-500	未记录	SO4 SULFATE ION × 1 PY1 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.6；298 K；Tris, ATP, MgCl2, DTT, Hexanediol, PEG4000, LiSO4, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 2.30 Å R-free 0.292
1RW8 Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor 提交 2003-12-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–500（301 aa）片段：Truncated kinase domain (residues 200-500)	未记录	580 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Tris, ATP, MgCl2, DTT, Hexanediol, PEG 4000, LiSo4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.40 Å R-free 0.291
1VJY Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor 提交 2004-04-07	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–303（303 aa）片段：protein kinase	未记录	460 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；278 K；20% PEG 4000, 0.1M Tris HCl, 0.2 M magnesium chloride, pH 8.0, vapor diffusion/sitting drop, temperature 278K, VAPOR DIFFUSION, SITTING DROP	分辨率 2.00 Å R-free 0.275
2L5S Solution structure of the extracellular domain of the TGF-beta type I receptor 提交 2010-11-04	构建体不同突变/修饰不同配体/离子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 31–115（85 aa）	非标准单体：是（mmCIF未提供具体位点）	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7.2；300 K；离子强度（mmCIF原始值）0.025；压力 ambient NMR样品组成 1 mM [U-100% 13C; U-100% 15N] TbRI-1, 95% H2O/5% D2O \| 95% H2O/5% D2O	分辨率未提供
2PJY Structural basis for cooperative assembly of the TGF-beta signaling complex 提交 2007-04-16	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 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 C 33–111（79 aa）片段：extracellular domain	突变：M70S	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；10-20% PEG 3350, 0.4-0.65 M calcium acetate, 0.1-0.25M NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 3.00 Å R-free 0.297
2WOT ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine 提交 2009-07-28	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：CATALYTIC DOMAIN, RESIDUES 200-503	未记录	ZZG 4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；SITTING DROP METHOD. DROPS PROTEIN-PRECIPITANT 1-1, PROTEIN: 10MG/ML ALK5, PRECIPITANT: 20-30% PEG8K, 100 MM PCTP BUFFER PH 8.5-9.2, 0.2 M NAAC	分辨率 1.85 Å R-free 0.221
2WOU ALK5 IN COMPLEX WITH 4-((4-((2,6-dimethyl-3-pyridyl)oxy)-2-pyridyl) amino)benzenesulfonamide 提交 2009-07-28	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：CATALYTIC DOMAIN, RESIDUES 200-503	未记录	EDO 1,2-ETHANEDIOL × 1 ZZF 4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；SITTING DROP METHOD. DROPS PROTEIN-PRECIPITANT 1-1, PROTEIN: 10MG/ML ALK5, PRECIPITANT: 20-30% PEG8K, 100 MM PCTP BUFFER PH 8.5-9.2, 0.2 M NAAC	分辨率 2.30 Å R-free 0.302
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor 提交 2010-03-03	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 162–503（342 aa）片段：CYTOPLASMIC DOMAIN, RESIDUES 162-503	未记录	ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25	分辨率 3.70 Å R-free 0.273
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor 提交 2010-03-03	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 162–503（342 aa）片段：CYTOPLASMIC DOMAIN, RESIDUES 162-503	未记录	ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25	分辨率 3.70 Å R-free 0.273
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor 提交 2010-03-03	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 162–503（342 aa）片段：CYTOPLASMIC DOMAIN, RESIDUES 162-503	未记录	ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25	分辨率 3.70 Å R-free 0.273
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor 提交 2010-03-03	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 162–503（342 aa）片段：CYTOPLASMIC DOMAIN, RESIDUES 162-503	未记录	ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25	分辨率 3.70 Å R-free 0.273
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor 提交 2010-03-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 162–503（342 aa）片段：CYTOPLASMIC DOMAIN, RESIDUES 162-503	未记录	ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25	分辨率 3.70 Å R-free 0.273
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor 提交 2008-11-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 162–503（342 aa）片段：GS and Kinase domains: UNP residues 162-503	未记录	55F N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide × 1 PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.35 Å R-free 0.271
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor 提交 2008-11-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 162–503（342 aa）片段：GS and Kinase domains: UNP residues 162-503	未记录	55F N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide × 1 PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.35 Å R-free 0.271
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor 提交 2008-11-16	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 162–503（342 aa）片段：GS and Kinase domains: UNP residues 162-503	未记录	55F N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.35 Å R-free 0.271
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor 提交 2008-11-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 162–503（342 aa）片段：GS and Kinase domains: UNP residues 162-503	未记录	55F N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide × 1 PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.35 Å R-free 0.271
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor 提交 2008-11-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 162–503（342 aa）片段：GS and Kinase domains: UNP residues 162-503	未记录	55F N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide × 1 PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.35 Å R-free 0.271
3GXL ALK-5 kinase complex with GW857175 提交 2009-04-02	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 201–503（303 aa）片段：kinase domain, residues 201-503	未记录	QIG N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；vapor diffusion	分辨率 1.80 Å R-free 0.263
3HMM Structure of Alk5 + GW855857 提交 2009-05-29	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 201–503（303 aa）片段：KINASE DOMAIN, RESIDUES 201-503	未记录	855 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；VAPOR DIFFUSION	分辨率 1.70 Å R-free 0.241
3KFD Ternary complex of TGF-b1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily 提交 2009-10-27	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 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 I 31–115（85 aa）片段：extracellular domain 链 J 31–115（85 aa）片段：extracellular domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7；298 K；8-15% Peg 4000-8000, pH 7.0, VAPOR DIFFUSION, temperature 298K	分辨率 3.00 Å R-free 0.268
3KFD Ternary complex of TGF-b1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily 提交 2009-10-27	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 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 K 31–115（85 aa）片段：extracellular domain 链 L 31–115（85 aa）片段：extracellular domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7；298 K；8-15% Peg 4000-8000, pH 7.0, VAPOR DIFFUSION, temperature 298K	分辨率 3.00 Å R-free 0.268
3KFD Ternary complex of TGF-b1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily 提交 2009-10-27	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 3 蛋白异源复合物异源复合物；蛋白 × 12 PDB 声明：dodecameric	链 I 31–115（85 aa）片段：extracellular domain 链 J 31–115（85 aa）片段：extracellular domain 链 K 31–115（85 aa）片段：extracellular domain 链 L 31–115（85 aa）片段：extracellular domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7；298 K；8-15% Peg 4000-8000, pH 7.0, VAPOR DIFFUSION, temperature 298K	分辨率 3.00 Å R-free 0.268
3TZM TGF-beta Receptor type 1 in complex with SB431542 提交 2011-09-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：kinase domain, UNP residues 200-503	未记录	085 4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；100 mM Imidazole 10% PEG 8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.70 Å R-free 0.205
4X0M Selection of fragments for kinase inhibitor design: decoration is key 提交 2014-11-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：UNP residues 200-503	未记录	3WA 4-aminopyrido[2,3-d]pyrimidin-5(8H)-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5	分辨率 1.68 Å R-free 0.239
4X2F Selection of fragments for kinase inhibitor design: decoration is key 提交 2014-11-26	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：UNP residues 200-503	未记录	3WJ 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5	分辨率 1.49 Å R-free 0.191
4X2G Selection of fragments for kinase inhibitor design: decoration is key 提交 2014-11-26	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：UNP residues 200-503	未记录	3WK 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one × 1 SO4 SULFATE ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5	分辨率 1.51 Å R-free 0.185
4X2J Selection of fragments for kinase inhibitor design: decoration is key 提交 2014-11-26	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）	未记录	3WN 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5	分辨率 1.69 Å R-free 0.184
4X2K Selection of fragments for kinase inhibitor design: decoration is key 提交 2014-11-26	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 蛋白单体单体；蛋白 × 1 PDB 声明：MONOMERIC	链 A 200–503（304 aa）	未记录	3WO 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5	分辨率 1.69 Å R-free 0.184
4X2N Selection of fragments for kinase inhibitor design: decoration is key 提交 2014-11-26	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：UNP residues 200-503	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5	分辨率 1.80 Å R-free 0.201
5E8S TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (WT) 提交 2015-10-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	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 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.45 Å R-free 0.188
5E8T TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) 提交 2015-10-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：T204D	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.70 Å R-free 0.190
5E8U TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) 提交 2015-10-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：T204D,I211V,Y249F,S280T,Y282F,S287N,A350C,L352F	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 2.03 Å R-free 0.223
5E8W TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH STAUROSPORINE 提交 2015-10-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：T204D	STU STAUROSPORINE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.86 Å R-free 0.186
5E8X TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) IN COMPLEX WITH STAUROSPORINE 提交 2015-10-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F	STU STAUROSPORINE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.45 Å R-free 0.210
5E8Z TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 3-AMINO-6-[4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE 提交 2015-10-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：T204D	5L4 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.51 Å R-free 0.207
5E90 TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F, S280T,Y282F,S287N,A350C,L352F) IN COMPLEX WITH 3-AMINO-6- [4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE 提交 2015-10-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：T204D,I211V,Y249F,S280T,Y282F,S287N,A350C,L352F	5L4 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 2.05 Å R-free 0.218
5FRI ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor. 提交 2015-12-17	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–498（299 aa）片段：UNP RESIDUES 200-498	未记录	EDO 1,2-ETHANEDIOL × 2 ZUQ N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；SITTING DROP METHOD. DROPS PROTEIN-PRECIPITANT 1-1, PROTEIN: 10MG/ML ALK5, PRECIPITANT: 20-30% PEG8K, 100 MM PCTP BUFFER PH 8.5-9.2, 0.2 M NAAC	分辨率 2.00 Å R-free 0.193
5QIK TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide 提交 2018-08-05	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：T204D	J2M N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.58 Å R-free 0.190
5QIL TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE 提交 2018-08-05	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：T204D	J2V N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.98 Å R-free 0.210
5QIM TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(5-METHOXYPYRIDIN-2-YL)-1H-PYRROLO[3,2-B] PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE 提交 2018-08-05	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	未记录	J2Y N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.75 Å R-free 0.188
5QTZ TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE 提交 2019-11-19	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：T204D	QMY 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.83 Å R-free 0.200
5QU0 TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE 提交 2019-11-19	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：KINASE DOMAIN, UNP RESIDUES 200-503	突变：YES	QMV 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.67 Å R-free 0.206
5USQ ALK-5 kinase inhibitor complex 提交 2017-02-13	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 123–421（299 aa）片段：UNP residues 123-421	未记录	8LY N-[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]-2-[(piperidin-4-yl)methyl]-2H-pyrazolo[4,3-b]pyridin-7-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 9.2；293 K；16 % PEG 8000 100mM CHES pH 9.2	分辨率 2.55 Å R-free 0.231
6B8Y TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine 提交 2017-10-09	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）片段：kinase domain	突变：T204D	D0A N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol	分辨率 1.65 Å R-free 0.208
6MAC Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD 提交 2018-08-27	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 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 K 33–112（80 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；.05-.15M sodium acetate 12-24% polyethylene glycol 8000 .05-.15M sodium thiocyanate	分辨率 2.34 Å R-free 0.267
8YHF The Crystal Structure of the Type I TGF beta receptor from Biortus. 提交 2024-02-28	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 162–503（342 aa）	未记录	A1D6I Vactosertib × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.02M K/Na PO4, 0.1M Bis-Tris propane pH6.5, 20% PEG3350	分辨率 1.40 Å R-free 0.192
8YHL The Crystal Structure of Tgf-Beta Type I Receptor (Alk5) from Biortus 提交 2024-02-28	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）	未记录	A1D6I Vactosertib × 1 EDO 1,2-ETHANEDIOL × 2 ACY ACETIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.1M MgAC2, 0.1M MES pH6.5, 10% PEG10,000	分辨率 1.47 Å R-free 0.193
9B9F Zebrafish Betaglycan Orphan Domain (zfBGo) in complex with TGF-B3 and extracellular domains of TGFBRI and TGFBRII 提交 2024-04-02	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 蛋白异源复合物异源复合物；蛋白 × 5 PDB 声明：pentameric	链 C 31–115（85 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M lithium sulfate, 0.1 M tris pH 8.5, 30 %(w/v) polyethylene glycol 4000	分辨率 3.00 Å R-free 0.278
9B9F Zebrafish Betaglycan Orphan Domain (zfBGo) in complex with TGF-B3 and extracellular domains of TGFBRI and TGFBRII 提交 2024-04-02	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 蛋白异源复合物异源复合物；蛋白 × 5 PDB 声明：pentameric	链 H 31–115（85 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M lithium sulfate, 0.1 M tris pH 8.5, 30 %(w/v) polyethylene glycol 4000	分辨率 3.00 Å R-free 0.278
9F6X Human transforming growth factor b type I receptor in complex with kinase inhibitor SB505124 提交 2024-05-02	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–500（301 aa）	未记录	A1IAZ 2-[5-(1,3-benzodioxol-5-yl)-2-~{tert}-butyl-1~{H}-imidazol-4-yl]-6-methyl-pyridine × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.6；291 K；23%(w/v) PEG 3350, 3%(v/v) glycerol at pH 5.6	分辨率 2.68 Å R-free 0.248
9FK5 Zebrafish Betaglycan Orphan Domain (zfBGo) in complex with TGF-B3 and extracellular domains of TGFBRI and TGFBRII 提交 2024-06-02	构建体不同聚集状态不同配体/离子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 × 5 PDB 声明：pentameric	链 C 30–115（86 aa）	未记录	未记录非水小分子	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 4.10 Å
9J9D Crystal structure of ALK5 kinase domain in complex with inhibitor HM-279 提交 2024-08-22	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）	未记录	A1L30 2-((1-(but-2-yn-1-yl)-1H-pyrazol-4-yl)(cyclopropylmethyl)amino)-5-(4-(dimethylcarbamoyl)-1H-pyrrol-2-yl)thiazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；20-25% PEG8000, 0.2 M Na acetate, 0.1 M Tris-HCl pH8.5	分辨率 1.34 Å R-free 0.209
9SUV Structure of an inhibitor of Human TGF-beta Type I Receptor 提交 2025-09-30	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 200–503（304 aa）	未记录	A1JQO ~{N}-[4-[[6-(5-chloranyl-2-fluoranyl-phenyl)-3-(2-hydroxyethylsulfanyl)pyridazin-4-yl]amino]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M potassium thiocyanate 20 % w/v PEG 3350	分辨率 1.50 Å R-free 0.211

共 44 个其他 PDB 条目、59 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	TGFR1_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–342； UniProt 162–503 作者链 B； PDB构建体 1–342； UniProt 162–503 作者链 C； PDB构建体 1–342； UniProt 162–503 作者链 D； PDB构建体 1–342； UniProt 162–503 作者链 E； PDB构建体 1–342； UniProt 162–503

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	3kcf
沉积日期 deposition_date	2009-10-21
结构标题 title	Crystal structure of TGFbRI complexed with a pyrazolone inhibitor
关键词 keywords	;KINASE, TGFBETARI, STRUCTURE-BASED DRUG DESIGN, PROTEIN-INHIBITOR COMPLEX, Aortic aneurysm, ATP-binding, Craniosynostosis, Disease mutation, Disulfide bond, Glycoprotein, Magnesium, Manganese, Membrane, Metal-binding, Nucleotide-binding, Phosphoprotein, Polymorphism, Receptor, Serine/threonine-protein kinase, Transferase, Transmembrane ;; TRANSFERASE
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	44.63 Å
回转半径 Rg (电子) rg_electron	43.99 Å
零角强度 I(0) i0	545581000.00
分子量 molecular_weight	189420.0 kDa
排除体积 excluded_volume	235880 Å³
包络体积 envelope_volume	329290 Å³
水化壳体积 shell_volume	61405 Å³
包络直径 envelope_diameter	135.3 Å
壳层 Rg shell_rg	50.64 Å
包络 Rg envelope_rg	42.15 Å
形状 Rg shape_rg	43.98 Å
总 Rg total_rg	44.33 Å
总原子数 total_atoms	13294
残基数 n_residues	1642
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	133.9 Å
Rg (实空间) rg_real	44.45 Å
Rg 误差 (实空间) rg_real_error	1.02 Å
I(0) (实空间) i0_real	5.4560e+08
I(0) 误差 (实空间) i0_real_error	9.9900e+06
Rg (倒空间) rg_reciprocal	44.63 Å
I(0) (倒空间) i0_reciprocal	545700000.0000
解质量估计 total_estimate	0.8721
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	61.2 Å
偏度 Skewness skewness	0.057
峰度 Kurtosis kurtosis	-0.726
角度范围 angular_range	— – 0.1750 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	51030000.0000
实空间数据点数 n_real_points	36
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.980; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.393

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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	TGF-beta receptor type-1
分子量 formula_weight	38920.6 kDa
EC 编号 ec_number	2.7.11.30
来源方法 src_method	man
拷贝数 entity_count	5

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E
原子数 atom_count	13297

EDPSLDRPFISEGTTLKDLIYDMTTSGSGSGLPLLVQRTIARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQEGIKM

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	Spodoptera frugiperda

实体 2 Entity 2 non-polymer

描述 description	4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one
分子量 formula_weight	360.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

实体 3 Entity 3 non-polymer

描述 description	PHOSPHATE ION
分子量 formula_weight	95.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	13

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	3

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7. 折叠分类 (SCOP + CATH) 15 domains

SCOP 2.08 (5 domains)

结构域编号 domain_id	d3kcfa_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.144 — Protein kinase-like (PK-like)
超家族 Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
家族 Family family	d.144.1.7 — Protein kinases, catalytic subunit

结构域编号 domain_id	d3kcfb_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.144 — Protein kinase-like (PK-like)
超家族 Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
家族 Family family	d.144.1.7 — Protein kinases, catalytic subunit

结构域编号 domain_id	d3kcfc_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.144 — Protein kinase-like (PK-like)
超家族 Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
家族 Family family	d.144.1.7 — Protein kinases, catalytic subunit

结构域编号 domain_id	d3kcfd_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.144 — Protein kinase-like (PK-like)
超家族 Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
家族 Family family	d.144.1.7 — Protein kinases, catalytic subunit

结构域编号 domain_id	d3kcfe_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.144 — Protein kinase-like (PK-like)
超家族 Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
家族 Family family	d.144.1.7 — Protein kinases, catalytic subunit

CATH v4.4 (10 domains)

结构域编号 domain_id	3kcfA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3kcfA02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3kcfB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3kcfB02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3kcfC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3kcfC02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3kcfD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3kcfD02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

结构域编号 domain_id	3kcfE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	200 — Phosphorylase Kinase; domain 1
同源超家族 H-superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

结构域编号 domain_id	3kcfE02
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	510 — Transferase(Phosphotransferase); domain 1
同源超家族 H-superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

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8. 引用文献 (1)

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晶胞边长 a length_a	174.025 Å
晶胞边长 b length_b	249.076 Å
晶胞边长 c length_c	138.011 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	90.00 °
晶胞分子数 Z z_pdb	40

空间群 space_group	C 2 2 21
空间群编号 int_tables_number	20
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	34.860 Å
R 因子 r_factor	0.2370
R_work r_work	0.2350
R_free r_free	0.2780

fit	/app/data/saxs_computation/kc/3kcf/3kcf.fit
pddf	/app/data/pr_computation/kc/3kcf/3kcf.pr.out
profile	/app/data/saxs_computation/kc/3kcf/3kcf.dat