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9n4k

CryoEM structure of ALK2-ActRIIB bound to BMP6

Method: ELECTRON MICROSCOPY Dmax: 107.6 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Activin receptor type-2B

Homo sapiens

UniProt Q13705

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 6 其他Polymer 2 PDB declaration: hexameric（6） Consistent with protein copy count Chain A； UniProt 19–134 Chain F； UniProt 19–134 Not recorded Bone morphogenetic protein 6 × 2 （P22004） Activin receptor type-1 × 2 （Q04771） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 BMA beta-D-mannopyranose × 2 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5；50mM Tris-HCL, 100mM NaCl cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.20 Å

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 9N4K Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
2QLU Crystal structure of Activin receptor type II kinase domain from human Deposited 2007-07-13 Different construct Different mutation/modification Different oligomeric state 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 190–487（298 aa） Fragment：Protein kinase domain
Not recorded SO4 SULFATE ION × 2 ADE ADENINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；45mM MES, 90mM ammonium sulfate, 11% polyethylene glycol monomethyl ether 5000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.00 Å R-free 0.283
4FAO Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex Deposited 2012-05-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain E 19–134（116 aa） Fragment：Extracellular domain
Chain F 19–134（116 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；20% PEG 3350, 0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 6.5, vapor diffusion, temperature 293K
Resolution 3.36 Å R-free 0.261
4FAO Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex Deposited 2012-05-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain K 19–134（116 aa） Fragment：Extracellular domain
Chain L 19–134（116 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；20% PEG 3350, 0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 6.5, vapor diffusion, temperature 293K
Resolution 3.36 Å R-free 0.261
4FAO Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex Deposited 2012-05-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain Q 19–134（116 aa） Fragment：Extracellular domain
Chain R 19–134（116 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；20% PEG 3350, 0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 6.5, vapor diffusion, temperature 293K
Resolution 3.36 Å R-free 0.261
4FAO Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex Deposited 2012-05-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain W 19–134（116 aa） Fragment：Extracellular domain
Chain X 19–134（116 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；20% PEG 3350, 0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 6.5, vapor diffusion, temperature 293K
Resolution 3.36 Å R-free 0.261
4FAO Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex Deposited 2012-05-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain e 19–134（116 aa） Fragment：Extracellular domain
Chain f 19–134（116 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；20% PEG 3350, 0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 6.5, vapor diffusion, temperature 293K
Resolution 3.36 Å R-free 0.261
4FAO Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex Deposited 2012-05-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain k 19–134（116 aa） Fragment：Extracellular domain
Chain l 19–134（116 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；20% PEG 3350, 0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 6.5, vapor diffusion, temperature 293K
Resolution 3.36 Å R-free 0.261
5NGV CRYSTAL STRUCTURE OF THE Activin receptor type-2B LIGAND BINDING DOMAIN IN COMPLEX WITH BIMAGRUMAB FV, ORTHORHOMBIC CRYSTAL FORM Deposited 2017-03-20 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 × 3 PDB declaration: trimeric
Chain A 24–117（94 aa） Fragment：LIGAND BINDING domain
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.4；293 K；0.1M PHOSPHATE-CITRATE, 40% PEG 300
Resolution 2.00 Å R-free 0.198
5NHR CRYSTAL STRUCTURE OF THE Activin receptor type-2B LIGAND BINDING DOMAIN IN COMPLEX WITH BIMAGRUMAB FV, CUBIC CRYSTAL FORM Deposited 2017-03-22 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 × 3 PDB declaration: trimeric
Chain C 24–117（94 aa） Fragment：VL, UNP residues 24-117
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；1.4M AMMONIUM SULFATE, 0.1M SODIUM CITRATE
Resolution 3.35 Å R-free 0.229
5NHR CRYSTAL STRUCTURE OF THE Activin receptor type-2B LIGAND BINDING DOMAIN IN COMPLEX WITH BIMAGRUMAB FV, CUBIC CRYSTAL FORM Deposited 2017-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 24–117（94 aa） Fragment：VL, UNP residues 24-117
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；1.4M AMMONIUM SULFATE, 0.1M SODIUM CITRATE
Resolution 3.35 Å R-free 0.229
7MRZ Structure of GDF11 bound to fused ActRIIB-ECD and Alk4-ECD with Anti-ActRIIB Fab fragment Deposited 2021-05-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric
Chain C 19–134（116 aa） Fragment：Extracellular domains of both proteins in the fused construct
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M HEPES, 0.9M ammonium sulfate, 0.9 M KCl
Resolution 3.00 Å R-free 0.327
7OLY Structure of activin A in complex with an ActRIIB-Alk4 fusion reveal insight into activin receptor interactions Deposited 2021-05-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 10 PDB declaration: decameric
Chain C 19–134（116 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；17.7 mg/ml complex in 20 mM HEPES, 200 mM NaCl pH 7.5. 100 + 100 nl sitting drop in a MRC 3-well plate with reservoir 0.1 M Na cacodylate pH 6.5 and 17 % (w/v) PEG 4000).
Resolution 3.27 Å R-free 0.269
9D20 Crystal structure of DLK1 in complex with ACVR2B Deposited 2024-08-08 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 × 2 PDB declaration: dimeric
Chain E 25–118（94 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 3 FUC alpha-L-fucopyranose × 1 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；293 K；2.1 M (NH4)2SO4, 0.1 M HEPES PH 7.6 and 2.5% polyethylene glycol (PEG) 400
Resolution 2.67 Å R-free 0.242
9D20 Crystal structure of DLK1 in complex with ACVR2B Deposited 2024-08-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 25–118（94 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 2 FUC alpha-L-fucopyranose × 1 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.6；293 K；2.1 M (NH4)2SO4, 0.1 M HEPES PH 7.6 and 2.5% polyethylene glycol (PEG) 400
Resolution 2.67 Å R-free 0.242

7 other PDB entries and 14 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name AVR2B_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–116； UniProt 19–134 Author chain F； PDBConstruct 1–116； UniProt 19–134

Bone morphogenetic protein 6

Homo sapiens

UniProt P22004

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 6 其他Polymer 2 PDB declaration: hexameric（6） Consistent with protein copy count Chain B； UniProt 375–513 Chain E； UniProt 375–513 Not recorded Activin receptor type-2B × 2 （Q13705） Activin receptor type-1 × 2 （Q04771） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 BMA beta-D-mannopyranose × 2 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5；50mM Tris-HCL, 100mM NaCl cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.20 Å

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 9N4K Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
2QCW Crystal Structure of Bone Morphogenetic Protein-6 (BMP-6) Deposited 2007-06-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 382–513（132 aa）
Chain B 382–513（132 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；15% 2-methyl-2,4-pentanediol (MPD), 0.2 M Tri-Na Citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.49 Å R-free 0.276
2R52 Crystal structure analysis of Bone Morphogenetic Protein-6 (BMP-6) Deposited 2007-09-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 375–513（139 aa） Fragment：Mature part (residues 375-513)
Chain B 375–513（139 aa） Fragment：Mature part (residues 375-513)
Not recorded IPA ISOPROPYL ALCOHOL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；20% 2-propanol, 0.1M sodium citrate pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.270
2R53 Crystal structure analysis of Bone Morphogenetic Protein-6 variant B2 (B2-BMP-6) Deposited 2007-09-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 411–513（103 aa） Fragment：BMP-6 variant B2, mature part
Chain B 411–513（103 aa） Fragment：BMP-6 variant B2, mature part
Not recorded MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；25% 2-Methyl-2,4-pentandiol, 0.1M sodium citrate pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.279
6OMO Human BMP6 homodimer Deposited 2019-04-19 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain I 410–513（104 aa）
Chain J 410–513（104 aa）
Not recorded IPA ISOPROPYL ALCOHOL × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100mM Tris HCl 8.0, 15% MPD
Resolution 2.80 Å R-free 0.244

4 other PDB entries and 4 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name BMP6_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 1–139； UniProt 375–513 Author chain E； PDBConstruct 1–139； UniProt 375–513

Activin receptor type-1

Homo sapiens

UniProt Q04771

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 6 其他Polymer 2 PDB declaration: hexameric（6） Consistent with protein copy count Chain C； UniProt 21–123 Chain D； UniProt 21–123 Not recorded Activin receptor type-2B × 2 （Q13705） Bone morphogenetic protein 6 × 2 （P22004） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 BMA beta-D-mannopyranose × 2 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.5；50mM Tris-HCL, 100mM NaCl cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.20 Å

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 9N4K Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
3H9R Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin Deposited 2009-04-30 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 × 2 PDB declaration: dimeric
Chain A 172–499（328 aa） Fragment：ACVR1 kinase domain (residue 172-499)
Not recorded TAK 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine × 1 SO4 SULFATE ION × 5 PG4 TETRAETHYLENE GLYCOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；30% PEG 3350; 0.25M Ammonium sulphate; 0.1M Bis-Tris, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.35 Å R-free 0.256
3MTF Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor Deposited 2010-04-30 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa） Fragment：kinase domain (UNP residues 201-499)
Mutation：Q207D PO4 PHOSPHATE ION × 4 EDO 1,2-ETHANEDIOL × 10 A3F 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；1.6M Na/KPO4, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 2.15 Å R-free 0.244
3MTF Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor Deposited 2010-04-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa） Fragment：kinase domain (UNP residues 201-499)
Mutation：Q207D PO4 PHOSPHATE ION × 4 EDO 1,2-ETHANEDIOL × 7 A3F 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；1.6M Na/KPO4, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 2.15 Å R-free 0.244
3OOM Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 Deposited 2010-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa） Fragment：kinase domain (UNP residue 201-499)
Mutation：Q207D PO4 PHOSPHATE ION × 4 507 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone × 2 EDO 1,2-ETHANEDIOL × 30 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；20% PEG 3350, 0.2M Na/K PO4, 10% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 2.00 Å R-free 0.231
3Q4U Crystal structure of the ACVR1 kinase domain in complex with LDN-193189 Deposited 2010-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa） Fragment：kinase domain, UNP residues 201-499
Chain B 201–499（299 aa） Fragment：kinase domain, UNP residues 201-499
Mutation：Q207D Mutation：Q207D LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 2 EDO 1,2-ETHANEDIOL × 7 FLC CITRATE ANION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293.15 K；20% PEG 3350, 0.2M ammonium citrate dibasic pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 1.82 Å R-free 0.219
3Q4U Crystal structure of the ACVR1 kinase domain in complex with LDN-193189 Deposited 2010-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 201–499（299 aa） Fragment：kinase domain, UNP residues 201-499
Chain D 201–499（299 aa） Fragment：kinase domain, UNP residues 201-499
Mutation：Q207D Mutation：Q207D LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 2 EDO 1,2-ETHANEDIOL × 7 FLC CITRATE ANION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293.15 K；20% PEG 3350, 0.2M ammonium citrate dibasic pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 1.82 Å R-free 0.219
3Q4U Crystal structure of the ACVR1 kinase domain in complex with LDN-193189 Deposited 2010-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 201–499（299 aa） Fragment：kinase domain, UNP residues 201-499
Chain D 201–499（299 aa） Fragment：kinase domain, UNP residues 201-499
Mutation：Q207D Mutation：Q207D LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 2 EDO 1,2-ETHANEDIOL × 7 FLC CITRATE ANION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293.15 K；20% PEG 3350, 0.2M ammonium citrate dibasic pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 1.82 Å R-free 0.219
4BGG Crystal structure of the ACVR1 kinase in complex with LDN-213844 Deposited 2013-03-26 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa） Fragment：KINASE DOMAIN, RESIDUES 201-499
Mutation：YES 844 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine × 1 FLC CITRATE ANION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M AMMONIUM CITRATE, 20%(W/V) PEG 3350
Resolution 2.56 Å R-free 0.247
4BGG Crystal structure of the ACVR1 kinase in complex with LDN-213844 Deposited 2013-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa） Fragment：KINASE DOMAIN, RESIDUES 201-499
Mutation：YES 844 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine × 1 FLC CITRATE ANION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M AMMONIUM CITRATE, 20%(W/V) PEG 3350
Resolution 2.56 Å R-free 0.247
4BGG Crystal structure of the ACVR1 kinase in complex with LDN-213844 Deposited 2013-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 201–499（299 aa） Fragment：KINASE DOMAIN, RESIDUES 201-499
Mutation：YES 844 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine × 1 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M AMMONIUM CITRATE, 20%(W/V) PEG 3350
Resolution 2.56 Å R-free 0.247
4BGG Crystal structure of the ACVR1 kinase in complex with LDN-213844 Deposited 2013-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 201–499（299 aa） Fragment：KINASE DOMAIN, RESIDUES 201-499
Mutation：YES 844 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M AMMONIUM CITRATE, 20%(W/V) PEG 3350
Resolution 2.56 Å R-free 0.247
4C02 Crystal structure of human ACVR1 (ALK2) in complex with FKBP12.6 and dorsomorphin Deposited 2013-07-31 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 × 2 PDB declaration: dimeric
Chain A 172–499（328 aa） Fragment：KINASE DOMAIN, RESIDUES 172-499
Not recorded FLC CITRATE ANION × 8 TAK 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine × 1 EDO 1,2-ETHANEDIOL × 13 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.2；1.8M AMMONIUM CITRATE, pH 7.2
Resolution 2.17 Å R-free 0.198
4DYM Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 Deposited 2012-02-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa） Fragment：unp residues 299-401
Mutation：R206H SO4 SULFATE ION × 4 IYZ 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE × 2 GOL GLYCEROL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；1.60M MgSO4; 0.1M MES pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 2.42 Å R-free 0.279
5OXG Crystal structure of the ACVR1 (ALK2) kinase in complex with LDN-212854 Deposited 2017-09-06 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Not recorded B4B 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；18% PEG8000 -- 0.2M calcium acetate -- 0.1M cacodylate pH 6.5
Resolution 2.13 Å R-free 0.232
5OXG Crystal structure of the ACVR1 (ALK2) kinase in complex with LDN-212854 Deposited 2017-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Not recorded B4B 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；18% PEG8000 -- 0.2M calcium acetate -- 0.1M cacodylate pH 6.5
Resolution 2.13 Å R-free 0.232
5OXG Crystal structure of the ACVR1 (ALK2) kinase in complex with LDN-212854 Deposited 2017-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 201–499（299 aa）
Not recorded B4B 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；18% PEG8000 -- 0.2M calcium acetate -- 0.1M cacodylate pH 6.5
Resolution 2.13 Å R-free 0.232
5OXG Crystal structure of the ACVR1 (ALK2) kinase in complex with LDN-212854 Deposited 2017-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 201–499（299 aa）
Not recorded B4B 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 1 CA CALCIUM ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；18% PEG8000 -- 0.2M calcium acetate -- 0.1M cacodylate pH 6.5
Resolution 2.13 Å R-free 0.232
5OY6 Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36. Deposited 2017-09-07 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D B4E cyclical inhibitor OD36 × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.3M magnesium formate, 0.1M bis-tris pH 5.5
Resolution 2.56 Å R-free 0.242
5OY6 Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36. Deposited 2017-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D B4E cyclical inhibitor OD36 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.3M magnesium formate, 0.1M bis-tris pH 5.5
Resolution 2.56 Å R-free 0.242
5OY6 Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36. Deposited 2017-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 201–499（299 aa）
Mutation：Q207D B4E cyclical inhibitor OD36 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.3M magnesium formate, 0.1M bis-tris pH 5.5
Resolution 2.56 Å R-free 0.242
5OY6 Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36. Deposited 2017-09-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 201–499（299 aa）
Mutation：Q207D B4E cyclical inhibitor OD36 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.3M magnesium formate, 0.1M bis-tris pH 5.5
Resolution 2.56 Å R-free 0.242
5S75 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 SRT S,R MESO-TARTARIC ACID × 1 HUH 1~{H}-1,2,3-triazole × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.173
5S75 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 HUH 1~{H}-1,2,3-triazole × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.173
5S76 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010916a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 7 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 02A (2S)-azetidine-2-carboxylic acid × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.173
5S76 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010916a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 3 DMS DIMETHYL SULFOXIDE × 1 02A (2S)-azetidine-2-carboxylic acid × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.173
5S77 XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 BAQ pyrrolidin-2-one × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.185
5S77 XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035133b Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.185
5S78 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 7 XGV pyridazin-3-amine × 3 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.177
5S78 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 3 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.177
5S79 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010910a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.50 Å R-free 0.206
5S79 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010910a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 3 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 PZO PYRAZOLE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.50 Å R-free 0.206
5S7A XChem group deposition -- Crystal Structure of human ACVR1 in complex with PK012456b Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 T5V pyrimidin-5-amine × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.180
5S7A XChem group deposition -- Crystal Structure of human ACVR1 in complex with PK012456b Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 T5V pyrimidin-5-amine × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.180
5S7B XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 1 XH7 (3R)-thiolane-3-carboxylic acid × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.32 Å R-free 0.195
5S7B XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000329d Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 XH7 (3R)-thiolane-3-carboxylic acid × 1 SO4 SULFATE ION × 2 TAR D(-)-TARTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.32 Å R-free 0.195
5S7C XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000274c Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 1 T5Y pyridin-2-ol × 3 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.179
5S7C XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000274c Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 T5Y pyridin-2-ol × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.179
5S7D XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010923a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 XHD 2-cyanoacetamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.185
5S7D XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010923a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 XHD 2-cyanoacetamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.185
5S7E XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.32 Å R-free 0.189
5S7E XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 XEA (3R)-1,2-oxazolidine-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.32 Å R-free 0.189
5S7F XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010935a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.169
5S7F XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010935a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 XH4 [(3R)-pyrazolidin-3-yl]methanol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.169
5S7G XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035844b Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 1 PPI PROPANOIC ACID × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.78 Å R-free 0.252
5S7G XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035844b Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 PPI PROPANOIC ACID × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.78 Å R-free 0.252
5S7H XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010914a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 HVB 1-azanylpropylideneazanium × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.180
5S7H XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010914a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.180
5S7I XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010928a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 HV2 1,1-bis(oxidanylidene)thietan-3-ol × 3 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.176
5S7I XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010928a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 6 DMS DIMETHYL SULFOXIDE × 1 HV2 1,1-bis(oxidanylidene)thietan-3-ol × 9 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.176
5S7J XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 XHG 1-[(2R)-oxolan-2-yl]methanamine × 1 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.181
5S7J XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.181
5S7K XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010936a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 XEJ (3R)-3-aminobutanamide × 2 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.188
5S7L XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010943a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 11 DMS DIMETHYL SULFOXIDE × 2 XHJ (3S)-pyrazolidin-3-amine × 5 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.36 Å R-free 0.188
5S7M XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000275d Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 12 DMS DIMETHYL SULFOXIDE × 2 HVK pyridin-2-amine × 3 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.32 Å R-free 0.195
5S7N XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 DMS DIMETHYL SULFOXIDE × 2 2AI 1H-imidazol-2-amine × 2 SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.186
5S7O XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 TLA L(+)-TARTARIC ACID × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.43 Å R-free 0.189
5S7O XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 XJJ piperazin-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.43 Å R-free 0.189
5S7P XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010937a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 1 V1L piperidin-2-one × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.176
5S7P XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010937a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.176
5S7Q XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010944a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 6 XJM 5-methyl-1H-tetrazole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.53 Å R-free 0.243
5S7R XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010918a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 7 TLA L(+)-TARTARIC ACID × 1 XGS 1lambda~6~,2-thiazetidine-1,1-dione × 5 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.46 Å R-free 0.198
5S7R XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010918a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 XGS 1lambda~6~,2-thiazetidine-1,1-dione × 6 SO4 SULFATE ION × 3 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.46 Å R-free 0.198
5S7S XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010921a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 09V cyclopropylmethanol × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.171
5S7S XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010921a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 09V cyclopropylmethanol × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.171
5S7T XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010926a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 12 DMS DIMETHYL SULFOXIDE × 2 XGJ (3S)-1,2,4-triazolidin-3-amine × 6 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.174
5S7U XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 14 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 6 XGY (4S)-1-methylimidazolidin-4-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.59 Å R-free 0.261
5S7V XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010942a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.172
5S7V XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010942a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 XH1 N-propan-2-ylurea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.172
5S7W XChem group deposition -- Crystal Structure of human ACVR1 in complex with HM000007h Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 TAR D(-)-TARTARIC ACID × 1 GLY GLYCINE × 2 SO4 SULFATE ION × 6 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.33 Å R-free 0.186
5S7X XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 LGA PYRIMIDIN-2-AMINE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.169
5S7X XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 LGA PYRIMIDIN-2-AMINE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.169
5S7Y XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 7 XJP (2S,4R)-1,3-thiazolidine-2,4-diamine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.37 Å R-free 0.184
5S7Z XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074488b Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 BYZ 4-bromo-1H-pyrazole × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.184
5S7Z XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074488b Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 BYZ 4-bromo-1H-pyrazole × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.184
5S80 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.67 Å R-free 0.231
5S80 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 XGM N-hydroxypropanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.67 Å R-free 0.231
5S81 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010947a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 12 DMS DIMETHYL SULFOXIDE × 2 TLA L(+)-TARTARIC ACID × 1 XJV imidazolidin-2-one × 6 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.43 Å R-free 0.196
5S82 XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 6 LAC LACTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.71 Å R-free 0.253
5S83 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010948a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 DMS DIMETHYL SULFOXIDE × 2 TLA L(+)-TARTARIC ACID × 1 XJY cyclobutylboronic acid × 1 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.33 Å R-free 0.185
5S84 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010949a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 TLA L(+)-TARTARIC ACID × 1 XK1 1-[(4R)-1,3-oxazolidin-4-yl]methanamine × 1 SO4 SULFATE ION × 5 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.35 Å R-free 0.191
5S85 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000884c Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 DMS DIMETHYL SULFOXIDE × 2 XK4 (3R)-1,2-oxazolidin-3-amine × 7 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.33 Å R-free 0.182
5S86 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010952a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 DMS DIMETHYL SULFOXIDE × 2 XK7 1-aminocyclopropane-1-carboxamide × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.190
5S87 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010953a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.181
5S87 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010953a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 XKD N-methyl-D-alaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.181
5S88 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010954a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.179
5S88 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010954a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 XKS azetidin-3-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.31 Å R-free 0.179
5S89 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010957a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 XKV (2R)-2-aminobutanamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.174
5S89 XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010957a Deposited 2020-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.174
5S8A XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 DMS DIMETHYL SULFOXIDE × 2 TLA L(+)-TARTARIC ACID × 1 XKY (4S)-imidazolidine-4-carbonitrile × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.30 Å R-free 0.179
5S8B XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010960a Deposited 2020-12-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 12 DMS DIMETHYL SULFOXIDE × 2 XFV 1lambda~6~-thietane-1,1-dione × 7 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.64 Å R-free 0.233
5S9K XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010955a Deposited 2021-03-25 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Not recorded LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 4 EDO 1,2-ETHANEDIOL × 13 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 6 YV4 (3S)-3-aminopyrrolidin-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0, 1.4M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 1.35 Å R-free 0.200
6ACR Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 Deposited 2018-07-27 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：R206H 9TO N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES, 1.6 M Ammonium sulfate
Resolution 2.01 Å R-free 0.257
6ACR Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 Deposited 2018-07-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：R206H 9TO N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES, 1.6 M Ammonium sulfate
Resolution 2.01 Å R-free 0.257
6EIX Crystal structure of the kinase domain of the Q207E mutant of ACVR1 (ALK2) in complex with a 2-aminopyridine inhibitor K02288 Deposited 2017-09-19 Different construct Different mutation/modification Different oligomeric state 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 172–509（338 aa）
Mutation：Q207E A3F 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol × 1 EDO 1,2-ETHANEDIOL × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MES pH 6.5 -- 12%(w/v) PEG 20000
Resolution 2.30 Å R-free 0.249
6GI6 Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl core. Deposited 2018-05-10 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D EZB 5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one × 1 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；1.5M ammonium sulfate, 0.1M sodium chloride, 0.1M bis-tris pH 6.5
Resolution 1.98 Å R-free 0.263
6GIN Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group. Deposited 2018-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 201–499（299 aa）
Chain B 201–499（299 aa）
Mutation：Q207D Mutation：Q207D IR2 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one × 2 SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；1.6M ammonium sulfate,12% glycerol, 0.1M tris pH 8.5
Resolution 2.20 Å R-free 0.228
6GIP Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 2, 5-dimethyl core. Deposited 2018-05-14 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Not recorded EUN 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one × 1 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.5M ammonium sulfate, 0.1M tris pH 8.5, 4% glycerol
Resolution 2.17 Å R-free 0.239
6I1S Crystal structure of the ACVR1 (ALK2) kinase in complex with FKBP12 and the inhibitor E6201 Deposited 2018-10-30 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 × 2 PDB declaration: dimeric
Chain A 172–499（328 aa）
Not recorded E26 (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione × 1 EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.05M ammonium sulfate, 30% pentaerythritol ethoxylate 15/4, 0.1M bis-tris pH 6.5
Resolution 1.52 Å R-free 0.193
6JUX Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 Deposited 2019-04-15 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa） Fragment：UNP residues 201-499
Mutation：R206H C9U 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES, 1.5 M Ammonium sulfate
Resolution 1.75 Å R-free 0.226
6SRH Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 Deposited 2019-09-05 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 EDO 1,2-ETHANEDIOL × 9 DMS DIMETHYL SULFOXIDE × 1 TLA L(+)-TARTARIC ACID × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0 -- 1.4M ammonium sulfate -- 0.2M sodium/potassium tartrate
Resolution 1.25 Å R-free 0.160
6SRH Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 Deposited 2019-09-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D LU8 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 3 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M citrate pH 6.0 -- 1.4M ammonium sulfate -- 0.2M sodium/potassium tartrate
Resolution 1.25 Å R-free 0.160
6SZM Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 Deposited 2019-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 201–499（299 aa）
Mutation：Q207D M2Z 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine × 3 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 5 NH4 AMMONIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2M ammonium sulfate, 0.1M bis-tris pH 5.5
Resolution 1.42 Å R-free 0.188
6SZM Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 Deposited 2019-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D M2Z 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine × 1 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2M ammonium sulfate, 0.1M bis-tris pH 5.5
Resolution 1.42 Å R-free 0.188
6T6D Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 Deposited 2019-10-18 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D MM8 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.9；277 K；0.1M citrate pH 4.9, 1M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 2.56 Å R-free 0.272
6T6D Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 Deposited 2019-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D MM8 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.9；277 K；0.1M citrate pH 4.9, 1M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 2.56 Å R-free 0.272
6T6D Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 Deposited 2019-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 201–499（299 aa）
Mutation：Q207D MM8 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.9；277 K；0.1M citrate pH 4.9, 1M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 2.56 Å R-free 0.272
6T6D Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 Deposited 2019-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 201–499（299 aa）
Mutation：Q207D MM8 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.9；277 K；0.1M citrate pH 4.9, 1M ammonium sulfate, 0.2M sodium/potassium tartrate
Resolution 2.56 Å R-free 0.272
6T8N Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 Deposited 2019-10-24 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 1 TLA L(+)-TARTARIC ACID × 1 MVE cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M citrate pH 5.5 1.2M ammonium sulfate 0.4M sodium/potassium tartrate
Resolution 1.77 Å R-free 0.237
6T8N Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 Deposited 2019-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D SO4 SULFATE ION × 3 MVE cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M citrate pH 5.5 1.2M ammonium sulfate 0.4M sodium/potassium tartrate
Resolution 1.77 Å R-free 0.237
6TN8 Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 Deposited 2019-12-06 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D DIO 1,4-DIETHYLENE DIOXIDE × 4 5U6 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；1.6M ammonium sulfate, 10%(v/v) dioxane, 0.1M MES pH 6.5
Resolution 1.63 Å R-free 0.262
6UNQ Kinase domain of ALK2-K493A with AMPPNP Deposited 2019-10-13 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa） Fragment：Kinase domain
Mutation：K493A ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES 6.5 pH, 20 %v/v Ethylene glycol, 7 %w/v PEG 8000
Resolution 2.40 Å R-free 0.283
6UNR Kinase domain of ALK2-K492A/K493A with AMPPNP Deposited 2019-10-13 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa） Fragment：Kinase domain
Mutation：K492A, K493A ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.05 M PIPES 7 pH, 0.01 M DTT, 10 %w/v PEG 4000
Resolution 2.20 Å R-free 0.302
6UNS Kinase domain of ALK2-K492A/K493A with LDN-193189 Deposited 2019-10-13 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa） Fragment：Kinase domain
Mutation：K492A, K493A LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.05 M PIPES pH 7, 0.01 M DTT, 10 %w/v PEG 4000
Resolution 2.30 Å R-free 0.262
6UNS Kinase domain of ALK2-K492A/K493A with LDN-193189 Deposited 2019-10-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa） Fragment：Kinase domain
Mutation：K492A, K493A LDN 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.05 M PIPES pH 7, 0.01 M DTT, 10 %w/v PEG 4000
Resolution 2.30 Å R-free 0.262
6Z36 Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 Deposited 2020-05-19 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 1 TAR D(-)-TARTARIC ACID × 1 Q5Z 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.2；277 K；0.1M Citrate pH 5.2, 1.2M ammonium sulphate, 0.2M sodiuim/potassium tartarate.
Resolution 1.37 Å R-free 0.191
6Z36 Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 Deposited 2020-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 1 Q5Z 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine × 1 NH4 AMMONIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.2；277 K；0.1M Citrate pH 5.2, 1.2M ammonium sulphate, 0.2M sodiuim/potassium tartarate.
Resolution 1.37 Å R-free 0.191
6ZGC Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) Deposited 2020-06-18 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D H8H N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE × 1 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；1.26M sodium phosphate monobasic 0.14M potassium phosphate dibasic
Resolution 2.67 Å R-free 0.260
6ZGC Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) Deposited 2020-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D H8H N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE × 1 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；1.26M sodium phosphate monobasic 0.14M potassium phosphate dibasic
Resolution 2.67 Å R-free 0.260
6ZGC Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) Deposited 2020-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 201–499（299 aa）
Mutation：Q207D H8H N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE × 1 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；1.26M sodium phosphate monobasic 0.14M potassium phosphate dibasic
Resolution 2.67 Å R-free 0.260
6ZGC Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) Deposited 2020-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 201–499（299 aa）
Mutation：Q207D H8H N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE × 1 K POTASSIUM ION × 1 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；1.26M sodium phosphate monobasic 0.14M potassium phosphate dibasic
Resolution 2.67 Å R-free 0.260
7A21 Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 Deposited 2020-08-14 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D QWQ 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；16% PEG8K, 15% glycerol, 0.08M potassium phosphate dibasic
Resolution 2.14 Å R-free 0.256
7A21 Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 Deposited 2020-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：Q207D QWQ 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；16% PEG8K, 15% glycerol, 0.08M potassium phosphate dibasic
Resolution 2.14 Å R-free 0.256
7C3G Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 Deposited 2020-05-12 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：R206H FH0 ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine × 1 SO4 SULFATE ION × 9 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM HEPES pH 7.6-8.0, 1.5-1.6 M ammonium sulfate
Resolution 1.80 Å R-free 0.227
7C3G Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 Deposited 2020-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Mutation：R206H FH0 ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine × 1 SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM HEPES pH 7.6-8.0, 1.5-1.6 M ammonium sulfate
Resolution 1.80 Å R-free 0.227
7NNS Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib Deposited 2021-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 C87 Momelotinib × 1 SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；1.4M ammonium sulfate, 0.1M tris pH 7.5, 8% glycerol.
Resolution 2.14 Å R-free 0.269
7YRU ALK2 antibody complex Deposited 2022-08-10 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 × 3 PDB declaration: trimeric
Chain A 21–123（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.5, 20% PEG 3350
Resolution 2.60 Å R-free 0.271
8C7W Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304 Deposited 2023-01-17 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D U0C 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine × 1 SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；1.6M ammonium sulfate, 0.1M tris pH 8.5, 4% glycerol
Resolution 2.26 Å R-free 0.239
8C7Z Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308 Deposited 2023-01-18 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D NH4 AMMONIUM ION × 1 TZX 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine × 1 SO4 SULFATE ION × 5 EDO 1,2-ETHANEDIOL × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；1.7 M Ammonium sulphate, 0.1M tris pH 8, 8% glycerol
Resolution 2.23 Å R-free 0.261
8POD Crystal structure of the kinase domain of ACVR1 (ALK2) in complex with FKBP12 and MU1700 Deposited 2023-07-04 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 × 2 PDB declaration: dimeric
Chain A 172–499（328 aa）
Not recorded 7IO 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine × 1 F FLUORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG3350, 10% ethylene glycol, 0.1M bis-tris-propane pH 7.5, 0.2M sodium fluoride
Resolution 2.59 Å R-free 0.255
8R7G Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 Deposited 2023-11-24 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Not recorded YEE 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；5% PEG1000, 40% ethanol, 0.1M citrate pH 4.2
Resolution 2.09 Å R-free 0.253
8R7G Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 Deposited 2023-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 201–499（299 aa）
Not recorded YEE 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；5% PEG1000, 40% ethanol, 0.1M citrate pH 4.2
Resolution 2.09 Å R-free 0.253
8R7G Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 Deposited 2023-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 201–499（299 aa）
Not recorded YEE 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；5% PEG1000, 40% ethanol, 0.1M citrate pH 4.2
Resolution 2.09 Å R-free 0.253
8R7G Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 Deposited 2023-11-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 201–499（299 aa）
Not recorded YEE 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；5% PEG1000, 40% ethanol, 0.1M citrate pH 4.2
Resolution 2.09 Å R-free 0.253
8UWR Crystal structure of human ACVR1 (ALK2) kinase in complex with compound 3 Deposited 2023-11-07 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：Q207D SO4 SULFATE ION × 6 XQX cyclopropyl(4-{(8R)-6-[4-(piperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl}piperazin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.5 M Ammonium Sulphate, 0.1 M Sodium Citrate, pH 5.6
Resolution 2.04 Å R-free 0.281
9D8E Crystal structure of the ACVR1 (ALK2) Kinase Domain in complex with inhibitor CDD-2789 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state 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 172–499（328 aa）
Not recorded GOL GLYCEROL × 2 A1A29 1-cyclobutyl-N-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzimidazole-6-carboxamide × 1 PO4 PHOSPHATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；1.8 M sodium phosphate monobasic monohydrate, Potassium phosphate dibasic, pH 5.0.
Resolution 1.72 Å R-free 0.215
9D8E Crystal structure of the ACVR1 (ALK2) Kinase Domain in complex with inhibitor CDD-2789 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 172–499（328 aa）
Not recorded GOL GLYCEROL × 1 A1A29 1-cyclobutyl-N-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzimidazole-6-carboxamide × 1 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；1.8 M sodium phosphate monobasic monohydrate, Potassium phosphate dibasic, pH 5.0.
Resolution 1.72 Å R-free 0.215
9D8F Crystal structure of the ACVR1 (ALK2) Kinase Domain in complex with inhibitor CDD-2281 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state 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 193–509（317 aa）
Not recorded PO4 PHOSPHATE ION × 6 GOL GLYCEROL × 1 A1A3C N-[3-(dimethylamino)propyl]-1-[(1r,3r)-3-(methylcarbamoyl)cyclobutyl]-2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzimidazole-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；300 K；1.8 M sodium phosphate monobasic monohydrate, Potassium phosphate dibasic, pH 5.0.
Resolution 1.86 Å R-free 0.223
9D8F Crystal structure of the ACVR1 (ALK2) Kinase Domain in complex with inhibitor CDD-2281 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 193–509（317 aa）
Not recorded PO4 PHOSPHATE ION × 4 GOL GLYCEROL × 1 A1A3C N-[3-(dimethylamino)propyl]-1-[(1r,3r)-3-(methylcarbamoyl)cyclobutyl]-2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzimidazole-6-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；300 K；1.8 M sodium phosphate monobasic monohydrate, Potassium phosphate dibasic, pH 5.0.
Resolution 1.86 Å R-free 0.223
9D8Z Crystal structure of the ACVR1 (ALK2) Kinase Domain in complex with inhibitor CDD-2282 Deposited 2024-08-20 Different construct Different mutation/modification Different oligomeric state 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 178–509（332 aa）
Not recorded A1A3D 1-[(1r,3r)-3-(methylcarbamoyl)cyclobutyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzimidazole-6-carboxamide × 1 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；300 K；1.8 M sodium phosphate monobasic monohydrate, Potassium phosphate dibasic, pH 5.0
Resolution 1.85 Å R-free 0.223
9D8Z Crystal structure of the ACVR1 (ALK2) Kinase Domain in complex with inhibitor CDD-2282 Deposited 2024-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 178–509（332 aa）
Not recorded A1A3D 1-[(1r,3r)-3-(methylcarbamoyl)cyclobutyl]-N-[(1-methylpiperidin-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzimidazole-6-carboxamide × 1 PO4 PHOSPHATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；300 K；1.8 M sodium phosphate monobasic monohydrate, Potassium phosphate dibasic, pH 5.0
Resolution 1.85 Å R-free 0.223
9L04 Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK783 Deposited 2024-12-11 Different construct Different mutation/modification Different oligomeric state 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 201–499（299 aa）
Mutation：R206H A1L4C 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine × 1 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；100 mM HEPES, 1.5 -1.6 M Ammonium sulfate
Resolution 2.25 Å R-free 0.256
9RDA Cocrystal structure of Zilurgisertib bound to the ALK2-FKBP12 complex Deposited 2025-06-02 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 × 2 PDB declaration: dimeric
Chain A 172–498（327 aa）
Not recorded A1JFB Zilurgisertib × 1 EDO 1,2-ETHANEDIOL × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；protein: reservoir 2:1 Crystallization Reservoir Solution = 0.24M Ammonium Sulphate, 0.1M Hepes pH 7.0, 28% PEG3350 Crystallization Protein Solution = Alk2-FKBP12 at 7.0 mg/ml in 50 mM Tris, 150 mM NaCl, 2 mM TCEP, pH 7.0 concentrated in the presence of 2.5 mM AMPPNP and 20 mM MgCl2 cryo condition: 10% ethyleneglycol for 2 min
Resolution 1.75 Å R-free 0.224

84 other PDB entries and 142 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ACVR1_HUMAN
Isoform —
PDB entities 3
Chains and sequence ranges Author chain C； PDBConstruct 1–103； UniProt 21–123 Author chain D； PDBConstruct 1–103； UniProt 21–123

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 9n4k

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9n4k
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9n4k
Deposition date deposition_date2025-02-03
Structure title titleCryoEM structure of ALK2-ActRIIB bound to BMP6
Keywords keywordsTGFB, Signaling, Receptor, Bone Morphogenetic Protein, ALK2, Ligand, Growth Factor, SIGNALING PROTEIN; SIGNALING PROTEIN
Experimental Method methodELECTRON MICROSCOPY
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier29.89 Å
Radius of gyration Rg (electron density) rg_electron29.37 Å
Forward intensity I(0) i080167900.00
Molecular weight molecular_weight65750.0 kDa
Excluded volume excluded_volume80190 ų
Envelope volume envelope_volume111100 ų
Hydration-shell volume shell_volume31870 ų
Envelope diameter envelope_diameter113.9 Å
Shell Rg shell_rg36.14 Å
Envelope Rg envelope_rg29.24 Å
Shape Rg shape_rg29.41 Å
Total Rg total_rg29.88 Å
Total atoms total_atoms4578
Residues n_residues552
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 dmax107.6 Å
Rg (real space) rg_real29.92 Å
Rg uncertainty (real space) rg_real_error1.21 Å
I(0) (real space) i0_real8.0170e+07
I(0) uncertainty (real space) i0_real_error1.2850e+06
Rg (reciprocal space) rg_reciprocal29.91 Å
I(0) (reciprocal space) i0_reciprocal80170000.0000
Solution quality estimate total_estimate0.8611
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary38.6 Å
Skewness Skewness skewness0.323
Kurtosis Kurtosis kurtosis-0.362
Angular range angular_range— – 0.2650 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha15270000.0000
Real-space data points n_real_points54
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.771; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.882; Smooth: 0.997
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

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8. Citations (1)

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9. Files and Curves (10)