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6dvr

Crystal structure of human CARM1 with (R)-SKI-72

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Histone-arginine methyltransferase CARM1

Homo sapiens

UniProt Q86X55

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 146–489 Chain B； UniProt 146–489 Not recorded HDG (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name) × 2 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 2 UNX UNKNOWN LIGAND × 6 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；25% PEG 3350, 0.2 M NH4SO4, 0.1 M HEPES pH7.5 Resolution 1.54 Å R-free 0.215
2 Protein homooligomer Homooligomer Protein × 8 PDB declaration: octameric（8） Consistent with protein copy count Chain A； UniProt 146–489 Chain B； UniProt 146–489 Not recorded HDG (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name) × 8 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 8 UNX UNKNOWN LIGAND × 24 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；25% PEG 3350, 0.2 M NH4SO4, 0.1 M HEPES pH7.5 Resolution 1.54 Å R-free 0.215

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 6DVR Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
2Y1W CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR Deposited 2010-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 135–482（348 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 135-482
Chain B 135–482（348 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 135-482
Chain C 135–482（348 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 135-482
Chain D 135–482（348 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 135-482
Not recorded SFG SINEFUNGIN × 4 849 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；20-30% PEG 2000K, 0.1 M TRIS-HCL PH 8.5, 0.2 M TRIMETHYLAMINE N-OXIDE DIHYDRATE.
Resolution 2.10 Å R-free 0.244
2Y1X CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR Deposited 2010-12-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 135–482（348 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 135-482
Chain D 135–482（348 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 135-482
Not recorded SAH S-ADENOSYL-L-HOMOCYSTEINE × 2 845 N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；20-30% PEG 2000K, 0.1 M TRIS-HCL PH 8.5, 0.2 M TRIMETHYLAMINE N-OXIDE DIHYDRATE
Resolution 2.40 Å R-free 0.264
2Y1X CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR Deposited 2010-12-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 135–482（348 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 135-482
Chain C 135–482（348 aa） Fragment：CATALYTIC DOMAIN, RESIDUES 135-482
Not recorded SAH S-ADENOSYL-L-HOMOCYSTEINE × 2 845 N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；20-30% PEG 2000K, 0.1 M TRIS-HCL PH 8.5, 0.2 M TRIMETHYLAMINE N-OXIDE DIHYDRATE
Resolution 2.40 Å R-free 0.264
4IKP Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin Deposited 2012-12-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 140–480（341 aa） Fragment：UNP residues 140-480
Chain B 140–480（341 aa） Fragment：UNP residues 140-480
Not recorded 4IK (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid × 2 GOL GLYCEROL × 1 UNX UNKNOWN LIGAND × 25 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；20% PEG 3350, 0.2 M Di-AMMONIUM TARTRATE, vapor diffusion, hanging drop, temperature 291K
Resolution 2.00 Å R-free 0.231
4IKP Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin Deposited 2012-12-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 140–480（341 aa） Fragment：UNP residues 140-480
Chain D 140–480（341 aa） Fragment：UNP residues 140-480
Not recorded 4IK (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid × 2 GOL GLYCEROL × 4 UNX UNKNOWN LIGAND × 15 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；20% PEG 3350, 0.2 M Di-AMMONIUM TARTRATE, vapor diffusion, hanging drop, temperature 291K
Resolution 2.00 Å R-free 0.231
5DWQ Crystal structure of CARM1, sinefungin, and methylated H3 peptide (R17) Deposited 2015-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain B 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Mutation：aa 134-479 Mutation：aa 134-479 SFG SINEFUNGIN × 2 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 2.36 Å R-free 0.257
5DWQ Crystal structure of CARM1, sinefungin, and methylated H3 peptide (R17) Deposited 2015-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain D 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Mutation：aa 134-479 Mutation：aa 134-479 SFG SINEFUNGIN × 2 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 2.36 Å R-free 0.257
5DX0 Crystal structure of CARM1, sinefungin, and H3 peptide (R17) Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain B 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 2.05 Å R-free 0.263
5DX0 Crystal structure of CARM1, sinefungin, and H3 peptide (R17) Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain D 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 2.05 Å R-free 0.263
5DX1 Crystal structure of CARM1, sinefungin, and PABP1 peptide (R455) Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain B 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 1.93 Å R-free 0.238
5DX1 Crystal structure of CARM1, sinefungin, and PABP1 peptide (R455) Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain D 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 1.93 Å R-free 0.238
5DX8 Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R455) Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain B 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 1.94 Å R-free 0.246
5DX8 Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R455) Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain D 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 1.94 Å R-free 0.246
5DXA Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R460) Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain B 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 2.07 Å R-free 0.244
5DXA Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R460) Deposited 2015-09-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain D 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 2.07 Å R-free 0.244
5DXJ Crystal structure of CARM1 and sinefungin Deposited 2015-09-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain B 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 1.95 Å R-free 0.231
5DXJ Crystal structure of CARM1 and sinefungin Deposited 2015-09-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Chain D 134–479（346 aa） Fragment：catalytic domain (UNP residues 134-479)
Not recorded SFG SINEFUNGIN × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG 3350
Resolution 1.95 Å R-free 0.231
5U4X Coactivator-associated arginine methyltransferase 1 with TP-064 Deposited 2016-12-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 140–480（341 aa） Fragment：UNP residues 140-480
Chain B 140–480（341 aa） Fragment：UNP residues 140-480
Not recorded SAH S-ADENOSYL-L-HOMOCYSTEINE × 2 7VM N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide × 2 UNX UNKNOWN LIGAND × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG 3350, 0.2 M AmSO4, 0.1 M Tris pH8.5
Resolution 1.88 Å R-free 0.215
5U4X Coactivator-associated arginine methyltransferase 1 with TP-064 Deposited 2016-12-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 140–480（341 aa） Fragment：UNP residues 140-480
Chain D 140–480（341 aa） Fragment：UNP residues 140-480
Not recorded SAH S-ADENOSYL-L-HOMOCYSTEINE × 2 7VM N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide × 2 UNX UNKNOWN LIGAND × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG 3350, 0.2 M AmSO4, 0.1 M Tris pH8.5
Resolution 1.88 Å R-free 0.215
6ARJ Crystal structure of CARM1 with EPZ022302 and SAH Deposited 2017-08-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 134–479（346 aa） Fragment：Catalytic domain (UNP residues 134-479)
Chain B 134–479（346 aa） Fragment：Catalytic domain (UNP residues 134-479)
Not recorded SAH S-ADENOSYL-L-HOMOCYSTEINE × 2 BW4 methyl 2-[2-{2-chloro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG3350
Resolution 1.92 Å R-free 0.212
6ARJ Crystal structure of CARM1 with EPZ022302 and SAH Deposited 2017-08-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 134–479（346 aa） Fragment：Catalytic domain (UNP residues 134-479)
Chain D 134–479（346 aa） Fragment：Catalytic domain (UNP residues 134-479)
Not recorded SAH S-ADENOSYL-L-HOMOCYSTEINE × 2 BW4 methyl 2-[2-{2-chloro-5-[(2R)-2-hydroxy-3-(methylamino)propoxy]phenyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate × 2 GOL GLYCEROL × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG3350
Resolution 1.92 Å R-free 0.212
6ARV Crystal structure of CARM1 with Compound 2 and SAH Deposited 2017-08-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 134–479（346 aa） Fragment：Catalytic domain (UNP residues 134-479)
Chain B 134–479（346 aa） Fragment：Catalytic domain (UNP residues 134-479)
Not recorded SAH S-ADENOSYL-L-HOMOCYSTEINE × 2 BW7 (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol × 2 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG3350
Resolution 2.00 Å R-free 0.232
6ARV Crystal structure of CARM1 with Compound 2 and SAH Deposited 2017-08-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 134–479（346 aa） Fragment：Catalytic domain (UNP residues 134-479)
Chain D 134–479（346 aa） Fragment：Catalytic domain (UNP residues 134-479)
Not recorded SAH S-ADENOSYL-L-HOMOCYSTEINE × 2 BW7 (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol × 2 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG3350
Resolution 2.00 Å R-free 0.232
6D2L Crystal structure of human CARM1 with (S)-SKI-72 Deposited 2018-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 146–489（344 aa）
Chain B 146–489（344 aa）
Chain C 146–489（344 aa）
Chain D 146–489（344 aa）
Chain E 146–489（344 aa）
Chain F 146–489（344 aa）
Not recorded FTG (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide × 6 SO4 SULFATE ION × 3 GOL GLYCEROL × 2 UNX UNKNOWN LIGAND × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；25% PEG 3350, 0.2 M NH4SO4, 0.1 M HEPES pH7.5
Resolution 2.00 Å R-free 0.236
6IZQ PRMT4 bound with a bicyclic compound Deposited 2018-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 145–477（333 aa）
Not recorded XJ2 (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.45 Å R-free 0.248
6IZQ PRMT4 bound with a bicyclic compound Deposited 2018-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 145–477（333 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.45 Å R-free 0.248
6IZQ PRMT4 bound with a bicyclic compound Deposited 2018-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 145–477（333 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.45 Å R-free 0.248
6IZQ PRMT4 bound with a bicyclic compound Deposited 2018-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 145–477（333 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.45 Å R-free 0.248
6IZQ PRMT4 bound with a bicyclic compound Deposited 2018-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 145–477（333 aa）
Chain B 145–477（333 aa）
Chain C 145–477（333 aa）
Chain D 145–477（333 aa）
Not recorded XJ2 (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.45 Å R-free 0.248
6S70 Crystal structure of CARM1 in complex with inhibitor UM251 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 135–479（345 aa）
Chain C 135–479（345 aa）
Not recorded KYB 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.2 M sodium acetate, 24 % (w/v) PEG 3350
Resolution 2.30 Å R-free 0.211
6S70 Crystal structure of CARM1 in complex with inhibitor UM251 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 135–479（345 aa）
Chain D 135–479（345 aa）
Not recorded KYB 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.2 M sodium acetate, 24 % (w/v) PEG 3350
Resolution 2.30 Å R-free 0.211
6S71 Crystal structure of CARM1 in complex with inhibitor WH5C Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 135–479（345 aa）
Chain C 135–479（345 aa）
Not recorded KYE (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.2 M sodium acetate, 20 % (w/v) PEG 3350
Resolution 2.06 Å R-free 0.210
6S71 Crystal structure of CARM1 in complex with inhibitor WH5C Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 135–479（345 aa）
Chain D 135–479（345 aa）
Not recorded KYE (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.2 M sodium acetate, 20 % (w/v) PEG 3350
Resolution 2.06 Å R-free 0.210
6S74 Crystal structure of CARM1 in complex with inhibitor UM305 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 135–479（345 aa）
Chain C 135–479（345 aa）
Not recorded KY8 (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.02 M sodium phosphate, 22 % (w/v) PEG 3350
Resolution 2.10 Å R-free 0.216
6S74 Crystal structure of CARM1 in complex with inhibitor UM305 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 135–479（345 aa）
Chain D 135–479（345 aa）
Not recorded KY8 (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.02 M sodium phosphate, 22 % (w/v) PEG 3350
Resolution 2.10 Å R-free 0.216
6S77 Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183 Deposited 2019-07-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 135–479（345 aa）
Chain C 135–479（345 aa）
Mutation：N265Y Mutation：N265Y KXW (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.02 M sodium phosphate, 26 % (w/v) PEG 3350
Resolution 2.12 Å R-free 0.246
6S77 Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183 Deposited 2019-07-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 135–479（345 aa）
Chain D 135–479（345 aa）
Mutation：N265Y Mutation：N265Y KXW (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.02 M sodium phosphate, 26 % (w/v) PEG 3350
Resolution 2.12 Å R-free 0.246
6S79 Crystal structure of CARM1 in complex with inhibitor AA183 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 135–479（345 aa）
Chain D 135–479（345 aa）
Not recorded KXW (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Bis-tris propane, 0.2 M sodium formate, 20 % (w/v) PEG 3350
Resolution 2.10 Å R-free 0.231
6S79 Crystal structure of CARM1 in complex with inhibitor AA183 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 135–479（345 aa）
Chain C 135–479（345 aa）
Not recorded KXW (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Bis-tris propane, 0.2 M sodium formate, 20 % (w/v) PEG 3350
Resolution 2.10 Å R-free 0.231
6S7A Crystal structure of CARM1 in complex with inhibitor AA175 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 135–479（345 aa）
Chain C 135–479（345 aa）
Not recorded KY5 (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Bis-tris propane, 0.2 M sodium formate, 20 % (w/v) PEG 3350
Resolution 1.86 Å R-free 0.220
6S7A Crystal structure of CARM1 in complex with inhibitor AA175 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 135–479（345 aa）
Chain D 135–479（345 aa）
Not recorded KY5 (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Bis-tris propane, 0.2 M sodium formate, 20 % (w/v) PEG 3350
Resolution 1.86 Å R-free 0.220
6S7B Crystal structure of CARM1 in complex with inhibitor UM249 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 135–479（345 aa）
Chain C 135–479（345 aa）
Not recorded KYH 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.02 M potassium phosphate, 22 % (w/v) PEG 3350
Resolution 2.66 Å R-free 0.227
6S7B Crystal structure of CARM1 in complex with inhibitor UM249 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 135–479（345 aa）
Chain D 135–479（345 aa）
Not recorded KYH 1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.02 M potassium phosphate, 22 % (w/v) PEG 3350
Resolution 2.66 Å R-free 0.227
6S7C Crystal structure of CARM1 in complex with inhibitor UM079 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 135–479（345 aa）
Chain C 135–479（345 aa）
Not recorded KY2 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.02 M sodium phosphate, 21 % (w/v) PEG 3350
Resolution 2.30 Å R-free 0.233
6S7C Crystal structure of CARM1 in complex with inhibitor UM079 Deposited 2019-07-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 135–479（345 aa）
Chain D 135–479（345 aa）
Not recorded KY2 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M Bis-tris propane, 0.02 M sodium phosphate, 21 % (w/v) PEG 3350
Resolution 2.30 Å R-free 0.233
7FAI CARM1 bound with compound 9 Deposited 2021-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 142–477（336 aa）
Not recorded XJ3 N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.10 Å R-free 0.232
7FAI CARM1 bound with compound 9 Deposited 2021-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 142–477（336 aa）
Not recorded XJ3 N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.10 Å R-free 0.232
7FAI CARM1 bound with compound 9 Deposited 2021-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 142–477（336 aa）
Not recorded XJ3 N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.10 Å R-free 0.232
7FAI CARM1 bound with compound 9 Deposited 2021-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 142–477（336 aa）
Not recorded XJ3 N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.10 Å R-free 0.232
7FAJ CARM1 bound with compound 43 Deposited 2021-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 142–477（336 aa）
Not recorded XJ4 N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.25 Å R-free 0.240
7FAJ CARM1 bound with compound 43 Deposited 2021-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 142–477（336 aa）
Not recorded XJ4 N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.25 Å R-free 0.240
7FAJ CARM1 bound with compound 43 Deposited 2021-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 142–477（336 aa）
Not recorded XJ4 N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.25 Å R-free 0.240
7FAJ CARM1 bound with compound 43 Deposited 2021-07-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 142–477（336 aa）
Not recorded XJ4 N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；22-27% PEG 3350, 0.15M sodium malate, pH 7.0
Resolution 2.25 Å R-free 0.240
7U9I Co-crystal structure of human CARM1 in complex with MT556 inhibitor Deposited 2022-03-10 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 146–489（344 aa）
Chain B 146–489（344 aa）
Not recorded 44T 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine × 2 UNX UNKNOWN LIGAND × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；20% PEG3350, 0.2M di-Sodium Tartrate
Resolution 2.00 Å R-free 0.267
8G2H Crystal Structure of PRMT4 with Compound YD1113 Deposited 2023-02-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 140–480（341 aa） Fragment：methyltransferase domain
Not recorded YVU 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine × 2 GOL GLYCEROL × 4 NA SODIUM ION × 2 UNX UNKNOWN LIGAND × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Calcium chloride dihydrate, 0.05 M HEPES sodium pH 7.5, 28% v/v Polyethylene glycol 400, 0.002 M Spermine
Resolution 1.49 Å R-free 0.177
8G2I Crystal Structure of PRMT4 with Compound YD1290 Deposited 2023-02-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 140–480（341 aa） Fragment：methyltransferase domain
Not recorded I0B 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine × 2 UNX UNKNOWN LIGAND × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；291 K；0.1 M BICINE pH 9.0, 2.0 M Magnesium chloride hexahydrate
Resolution 2.17 Å R-free 0.225
8SIG Crystal Structure of PRMT4 with Compound YD1-288 Deposited 2023-04-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 140–480（341 aa） Fragment：methyltransferase domain
Not recorded GWU 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine × 2 NA SODIUM ION × 2 UNX UNKNOWN LIGAND × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.2 M Calcium chloride dihydrate, 0.1 M HEPES sodium pH 7.5, 28% v/v Polyethylene glycol 400
Resolution 1.78 Å R-free 0.199
8SIH Crystal Structure of PRMT4 with Compound YD1-289 Deposited 2023-04-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 140–480（341 aa） Fragment：methyltransferase domain
Not recorded I1K 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine × 2 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；3.5 M Ammonium chloride, 0.1 M BIS-TRIS propane pH 7.0
Resolution 2.35 Å R-free 0.246
8UQH X-ray crystal structure of PRMT4 bound to compound YD-1130 Deposited 2023-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 139–479（341 aa）
Chain B 139–479（341 aa）
Chain C 139–479（341 aa）
Chain D 139–479（341 aa）
Not recorded X9L 5'-S-(2-{[(3-bromophenyl)methyl]amino}ethyl)-5'-thioadenosine × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；7.5% (w/v) PEG 20,000, 0.1M Tris, 0.08M sodium formate, pH 7.5
Resolution 1.87 Å R-free 0.253
9O37 The structure of PRMT4 in complex with YD1305 Deposited 2025-04-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 145–477（333 aa） Fragment：UNP Residues 145-477
Not recorded A1B7X 5'-{[2-(benzylcarbamamido)ethyl](3-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}propyl)amino}-5'-deoxyadenosine × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.2M calcium acetate hydrate, 0.1M HEPES: NaOH, pH 7.5, 10% (w/v) PEG 8,000
Resolution 2.11 Å R-free 0.233
9O6H The Structure of PRMT4 in complex with SGC8172 Deposited 2025-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 146–476（331 aa）
Not recorded A1B9W 5'-S-(3-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}propyl)-5'-thioadenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium tartrate dibasic, 20% (w/v) PEG 3,350
Resolution 1.97 Å R-free 0.269
9O6H The Structure of PRMT4 in complex with SGC8172 Deposited 2025-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 146–476（331 aa）
Not recorded A1B9W 5'-S-(3-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}propyl)-5'-thioadenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium tartrate dibasic, 20% (w/v) PEG 3,350
Resolution 1.97 Å R-free 0.269
9O6H The Structure of PRMT4 in complex with SGC8172 Deposited 2025-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 146–476（331 aa）
Not recorded A1B9W 5'-S-(3-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}propyl)-5'-thioadenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium tartrate dibasic, 20% (w/v) PEG 3,350
Resolution 1.97 Å R-free 0.269
9O6H The Structure of PRMT4 in complex with SGC8172 Deposited 2025-04-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 146–476（331 aa）
Not recorded A1B9W 5'-S-(3-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}propyl)-5'-thioadenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M sodium tartrate dibasic, 20% (w/v) PEG 3,350
Resolution 1.97 Å R-free 0.269

32 other PDB entries and 64 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CARM1_HUMAN
Isoform Q86X55-1
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–344； UniProt 146–489 Author chain B； PDBConstruct 1–344； UniProt 146–489

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

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P(r) Distance Distribution P(r) Distribution

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2. Structure Basics 2. Structure Basics

Entry ID entry_id6dvr
Deposition date deposition_date2018-06-25
Structure title titleCrystal structure of human CARM1 with (R)-SKI-72
Keywords keywordsCARM1, PRMT4, SKI-72 inhibitor, Structural Genomics, Structural Genomics Consortium, SGC, TRANSFERASE-TRANSFERASE INHIBITOR complex; TRANSFERASE/TRANSFERASE INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

该条目暂无 SAXS 数据。

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

该条目暂无 P(r) 分析数据。

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd6dvra_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.66 — S-adenosyl-L-methionine-dependent methyltransferases
Superfamily Superfamily superfamilyc.66.1 — S-adenosyl-L-methionine-dependent methyltransferases
Family Family familyc.66.1.6 — Arginine methyltransferase
Domain ID domain_idd6dvrb_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.66 — S-adenosyl-L-methionine-dependent methyltransferases
Superfamily Superfamily superfamilyc.66.1 — S-adenosyl-L-methionine-dependent methyltransferases
Family Family familyc.66.1.6 — Arginine methyltransferase

CATH v4.4 (2 domains)

Domain ID domain_id6dvrA02
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology160 — Hnrnp arginine n-methyltransferase1
Homologous superfamily homologous superfamily11 — Hnrnp arginine n-methyltransferase1
Domain ID domain_id6dvrB02
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology160 — Hnrnp arginine n-methyltransferase1
Homologous superfamily homologous superfamily11 — Hnrnp arginine n-methyltransferase1
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8. Citations (1)

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9. Files and Curves (0)