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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

Method: X-RAY DIFFRACTION Dmax: 66.1 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

TGF-beta receptor type-1

Homo sapiens

UniProt P36897

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 200–503 Fragment：KINASE DOMAIN, UNP RESIDUES 200-503 Mutation：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 crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol Resolution 1.98 Å R-free 0.210

Other States of the Same Protein in the Database

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

Other PDB Difference from Current Entry 5QIL Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1B6C CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE TYPE I TGF-BETA RECEPTOR IN COMPLEX WITH FKBP12 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 162–503（342 aa） Fragment：CYTOPLASMIC PORTION
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 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 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 162–503（342 aa） Fragment：CYTOPLASMIC PORTION
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 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 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 162–503（342 aa） Fragment：CYTOPLASMIC PORTION
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 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 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 162–503（342 aa） Fragment：CYTOPLASMIC PORTION
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 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 Deposited 1999-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain B 162–503（342 aa） Fragment：CYTOPLASMIC PORTION
Chain D 162–503（342 aa） Fragment：CYTOPLASMIC PORTION
Chain F 162–503（342 aa） Fragment：CYTOPLASMIC PORTION
Chain H 162–503（342 aa） Fragment：CYTOPLASMIC PORTION
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 2.60 Å R-free 0.269
1IAS CYTOPLASMIC DOMAIN OF UNPHOSPHORYLATED TYPE I TGF-BETA RECEPTOR CRYSTALLIZED WITHOUT FKBP12 Deposited 2001-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN (RESIDUES 162-503)
Chain B 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN (RESIDUES 162-503)
Chain C 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN (RESIDUES 162-503)
Chain D 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN (RESIDUES 162-503)
Chain E 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN (RESIDUES 162-503)
Not recorded SO4 SULFATE ION × 15 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.90 Å R-free 0.284
1PY5 Crystal Structure of TGF-beta receptor I kinase with inhibitor Deposited 2003-07-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 175–500（326 aa） Fragment：Truncated kinase domain, residues 175-500
Not recorded SO4 SULFATE ION × 1 PY1 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.30 Å R-free 0.292
1RW8 Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor Deposited 2003-12-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–500（301 aa） Fragment：Truncated kinase domain (residues 200-500)
Not recorded 580 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.40 Å R-free 0.291
1VJY Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor Deposited 2004-04-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–303（303 aa） Fragment：protein kinase
Not recorded 460 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.00 Å R-free 0.275
2L5S Solution structure of the extracellular domain of the TGF-beta type I receptor Deposited 2010-11-04 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–115（85 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；300 K；Ionic strength (raw mmCIF value) 0.025；Pressure ambient
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] TbRI-1, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
2PJY Structural basis for cooperative assembly of the TGF-beta signaling complex Deposited 2007-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain C 33–111（79 aa） Fragment：extracellular domain
Mutation：M70S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 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 Deposited 2009-07-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 200-503
Not recorded 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 crystallization conditions 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
Resolution 1.85 Å R-free 0.221
2WOU ALK5 IN COMPLEX WITH 4-((4-((2,6-dimethyl-3-pyridyl)oxy)-2-pyridyl) amino)benzenesulfonamide Deposited 2009-07-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 200-503
Not recorded 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 crystallization conditions 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
Resolution 2.30 Å R-free 0.302
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor Deposited 2010-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN, RESIDUES 162-503
Not recorded 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 crystallization conditions pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25
Resolution 3.70 Å R-free 0.273
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor Deposited 2010-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN, RESIDUES 162-503
Not recorded 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 crystallization conditions pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25
Resolution 3.70 Å R-free 0.273
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor Deposited 2010-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN, RESIDUES 162-503
Not recorded 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 crystallization conditions pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25
Resolution 3.70 Å R-free 0.273
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor Deposited 2010-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN, RESIDUES 162-503
Not recorded 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 crystallization conditions pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25
Resolution 3.70 Å R-free 0.273
2X7O Crystal structure of TGFbRI complexed with an indolinone inhibitor Deposited 2010-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 162–503（342 aa） Fragment：CYTOPLASMIC DOMAIN, RESIDUES 162-503
Not recorded 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 crystallization conditions pH 7.2；1.5 M AMMONIUM SULFATE, 0.1 M GLYCINE PH 7.25
Resolution 3.70 Å R-free 0.273
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor Deposited 2008-11-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 162–503（342 aa） Fragment：GS and Kinase domains: UNP residues 162-503
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.35 Å R-free 0.271
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor Deposited 2008-11-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 162–503（342 aa） Fragment：GS and Kinase domains: UNP residues 162-503
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.35 Å R-free 0.271
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor Deposited 2008-11-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 162–503（342 aa） Fragment：GS and Kinase domains: UNP residues 162-503
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.35 Å R-free 0.271
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor Deposited 2008-11-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 162–503（342 aa） Fragment：GS and Kinase domains: UNP residues 162-503
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.35 Å R-free 0.271
3FAA Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor Deposited 2008-11-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 162–503（342 aa） Fragment：GS and Kinase domains: UNP residues 162-503
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Na/K phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.35 Å R-free 0.271
3GXL ALK-5 kinase complex with GW857175 Deposited 2009-04-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 201–503（303 aa） Fragment：kinase domain, residues 201-503
Not recorded QIG N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；vapor diffusion
Resolution 1.80 Å R-free 0.263
3HMM Structure of Alk5 + GW855857 Deposited 2009-05-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 201–503（303 aa） Fragment：KINASE DOMAIN, RESIDUES 201-503
Not recorded 855 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；VAPOR DIFFUSION
Resolution 1.70 Å R-free 0.241
3KCF Crystal structure of TGFbRI complexed with a pyrazolone inhibitor Deposited 2009-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 162–503（342 aa） Fragment：UNP residues 162-503, GS AND KINASE DOMAINS
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.278
3KCF Crystal structure of TGFbRI complexed with a pyrazolone inhibitor Deposited 2009-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 162–503（342 aa） Fragment：UNP residues 162-503, GS AND KINASE DOMAINS
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.278
3KCF Crystal structure of TGFbRI complexed with a pyrazolone inhibitor Deposited 2009-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 162–503（342 aa） Fragment：UNP residues 162-503, GS AND KINASE DOMAINS
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.278
3KCF Crystal structure of TGFbRI complexed with a pyrazolone inhibitor Deposited 2009-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 162–503（342 aa） Fragment：UNP residues 162-503, GS AND KINASE DOMAINS
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.278
3KCF Crystal structure of TGFbRI complexed with a pyrazolone inhibitor Deposited 2009-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 162–503（342 aa） Fragment：UNP residues 162-503, GS AND KINASE DOMAINS
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；Sodium potassium phosphate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.278
3KFD Ternary complex of TGF-b1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily Deposited 2009-10-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain I 31–115（85 aa） Fragment：extracellular domain
Chain J 31–115（85 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；298 K；8-15% Peg 4000-8000, pH 7.0, VAPOR DIFFUSION, temperature 298K
Resolution 3.00 Å R-free 0.268
3KFD Ternary complex of TGF-b1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily Deposited 2009-10-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain K 31–115（85 aa） Fragment：extracellular domain
Chain L 31–115（85 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；298 K；8-15% Peg 4000-8000, pH 7.0, VAPOR DIFFUSION, temperature 298K
Resolution 3.00 Å R-free 0.268
3KFD Ternary complex of TGF-b1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily Deposited 2009-10-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain I 31–115（85 aa） Fragment：extracellular domain
Chain J 31–115（85 aa） Fragment：extracellular domain
Chain K 31–115（85 aa） Fragment：extracellular domain
Chain L 31–115（85 aa） Fragment：extracellular domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；298 K；8-15% Peg 4000-8000, pH 7.0, VAPOR DIFFUSION, temperature 298K
Resolution 3.00 Å R-free 0.268
3TZM TGF-beta Receptor type 1 in complex with SB431542 Deposited 2011-09-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：kinase domain, UNP residues 200-503
Not recorded 085 4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；100 mM Imidazole 10% PEG 8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.205
4X0M Selection of fragments for kinase inhibitor design: decoration is key Deposited 2014-11-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：UNP residues 200-503
Not recorded 3WA 4-aminopyrido[2,3-d]pyrimidin-5(8H)-one × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5
Resolution 1.68 Å R-free 0.239
4X2F Selection of fragments for kinase inhibitor design: decoration is key Deposited 2014-11-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：UNP residues 200-503
Not recorded 3WJ 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5
Resolution 1.49 Å R-free 0.191
4X2G Selection of fragments for kinase inhibitor design: decoration is key Deposited 2014-11-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：UNP residues 200-503
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5
Resolution 1.51 Å R-free 0.185
4X2J Selection of fragments for kinase inhibitor design: decoration is key Deposited 2014-11-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa）
Not recorded 3WN 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5
Resolution 1.69 Å R-free 0.184
4X2K Selection of fragments for kinase inhibitor design: decoration is key Deposited 2014-11-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: MONOMERIC
Chain A 200–503（304 aa）
Not recorded 3WO 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5
Resolution 1.69 Å R-free 0.184
4X2N Selection of fragments for kinase inhibitor design: decoration is key Deposited 2014-11-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：UNP residues 200-503
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Tris-HCl, 240 mM Li2SO4, 24% PEG 4000, pH 7.5
Resolution 1.80 Å R-free 0.201
5E8S TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (WT) Deposited 2015-10-14 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 1.45 Å R-free 0.188
5E8T TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) Deposited 2015-10-14 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Mutation：T204D GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 1.70 Å R-free 0.190
5E8U TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) Deposited 2015-10-14 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Mutation：T204D,I211V,Y249F,S280T,Y282F,S287N,A350C,L352F GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 2.03 Å R-free 0.223
5E8W TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH STAUROSPORINE Deposited 2015-10-14 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Mutation：T204D STU STAUROSPORINE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 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 Deposited 2015-10-14 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Mutation：T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F STU STAUROSPORINE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 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 Deposited 2015-10-14 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Mutation：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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 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 Deposited 2015-10-14 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Mutation：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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 2.05 Å R-free 0.218
5FRI ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor. Deposited 2015-12-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–498（299 aa） Fragment：UNP RESIDUES 200-498
Not recorded 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 crystallization conditions 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
Resolution 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 Deposited 2018-08-05 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Mutation：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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 1.58 Å R-free 0.190
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 Deposited 2018-08-05 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 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 Deposited 2019-11-19 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Mutation：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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 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 Deposited 2019-11-19 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：KINASE DOMAIN, UNP RESIDUES 200-503
Mutation：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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 1.67 Å R-free 0.206
5USQ ALK-5 kinase inhibitor complex Deposited 2017-02-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 123–421（299 aa） Fragment：UNP residues 123-421
Not recorded 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 crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.2；293 K；16 % PEG 8000 100mM CHES pH 9.2
Resolution 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 Deposited 2017-10-09 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa） Fragment：kinase domain
Mutation：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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；23%(w/v) PEG3350, 3%(v/v) glcyerol
Resolution 1.65 Å R-free 0.208
6MAC Ternary structure of GDF11 bound to ActRIIB-ECD and Alk5-ECD Deposited 2018-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain K 33–112（80 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；.05-.15M sodium acetate 12-24% polyethylene glycol 8000 .05-.15M sodium thiocyanate
Resolution 2.34 Å R-free 0.267
8YHF The Crystal Structure of the Type I TGF beta receptor from Biortus. Deposited 2024-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 162–503（342 aa）
Not recorded A1D6I Vactosertib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.02M K/Na PO4, 0.1M Bis-Tris propane pH6.5, 20% PEG3350
Resolution 1.40 Å R-free 0.192
8YHL The Crystal Structure of Tgf-Beta Type I Receptor (Alk5) from Biortus Deposited 2024-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa）
Not recorded A1D6I Vactosertib × 1 EDO 1,2-ETHANEDIOL × 2 ACY ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M MgAC2, 0.1M MES pH6.5, 10% PEG10,000
Resolution 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 Deposited 2024-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 31–115（85 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M lithium sulfate, 0.1 M tris pH 8.5, 30 %(w/v) polyethylene glycol 4000
Resolution 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 Deposited 2024-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain H 31–115（85 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.2 M lithium sulfate, 0.1 M tris pH 8.5, 30 %(w/v) polyethylene glycol 4000
Resolution 3.00 Å R-free 0.278
9F6X Human transforming growth factor b type I receptor in complex with kinase inhibitor SB505124 Deposited 2024-05-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–500（301 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION；pH 5.6；291 K；23%(w/v) PEG 3350, 3%(v/v) glycerol at pH 5.6
Resolution 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 Deposited 2024-06-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 30–115（86 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.10 Å
9J9D Crystal structure of ALK5 kinase domain in complex with inhibitor HM-279 Deposited 2024-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；20-25% PEG8000, 0.2 M Na acetate, 0.1 M Tris-HCl pH8.5
Resolution 1.34 Å R-free 0.209
9SUV Structure of an inhibitor of Human TGF-beta Type I Receptor Deposited 2025-09-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 200–503（304 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2 M potassium thiocyanate 20 % w/v PEG 3350
Resolution 1.50 Å R-free 0.211

44 other PDB entries and 63 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TGFR1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 4–307； UniProt 200–503

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

SAXS scattering curve SAXS Profile

SAXS profile for 5qil

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5qil
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5qil
Deposition date deposition_date2018-08-05
Structure title titleTGF-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
Keywords keywordsALK5, SB431542, KINASE DOMAIN, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX, TRANSFERASE; TRANSFERASE/TRANSFERASE INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier20.67 Å
Radius of gyration Rg (electron density) rg_electron19.47 Å
Forward intensity I(0) i021177700.00
Molecular weight molecular_weight34631.0 kDa
Excluded volume excluded_volume43256 ų
Envelope volume envelope_volume50718 ų
Hydration-shell volume shell_volume21485 ų
Envelope diameter envelope_diameter67.2 Å
Shell Rg shell_rg26.32 Å
Envelope Rg envelope_rg19.83 Å
Shape Rg shape_rg19.46 Å
Total Rg total_rg20.44 Å
Total atoms total_atoms2452
Residues n_residues303
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax66.1 Å
Rg (real space) rg_real20.57 Å
Rg uncertainty (real space) rg_real_error0.29 Å
I(0) (real space) i0_real2.1180e+07
I(0) uncertainty (real space) i0_real_error2.1130e+05
Rg (reciprocal space) rg_reciprocal20.59 Å
I(0) (reciprocal space) i0_reciprocal21180000.0000
Solution quality estimate total_estimate0.8976
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.9 Å
Skewness Skewness skewness0.201
Kurtosis Kurtosis kurtosis-0.404
Angular range angular_range— – 0.3850 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6607000.0000
Real-space data points n_real_points70
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.889; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.998
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd5qila1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit
Domain ID domain_idd5qila2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (2 domains)

Domain ID domain_id5qilA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id5qilA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
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8. Citations (1)

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9. Files and Curves (10)