|
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 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 oligomeric state
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 oligomeric state
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 oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
1–303(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 oligomeric state
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 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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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
|
|
3TZM
TGF-beta Receptor type 1 in complex with SB431542
Deposited 2011-09-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 construct
Different mutation/modification
Different oligomeric state
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
|
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 oligomeric state
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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
|
|
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
Deposited 2018-08-05
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
200–503(304 aa)
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
|
|
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 oligomeric state
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 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 oligomeric state
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 oligomeric state
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 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 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 oligomeric state
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 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 oligomeric state
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 oligomeric state
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
|