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3pe4

Structure of human O-GlcNAc transferase and its complex with a peptide substrate

Method: X-RAY DIFFRACTION Dmax: 118.0 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit

Homo sapiens

UniProt O15294

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 323–1041 Fragment：hOGT4.5, UNP residues 323-1041 Casein kinase II subunit alpha × 1 （P68400） UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.95 Å R-free 0.252
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain C； UniProt 323–1041 Fragment：hOGT4.5, UNP residues 323-1041 Casein kinase II subunit alpha × 1 （P68400） UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.95 Å R-free 0.252
3 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain A； UniProt 323–1041 Fragment：hOGT4.5, UNP residues 323-1041 Casein kinase II subunit alpha × 2 （P68400） UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.95 Å R-free 0.252
4 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain C； UniProt 323–1041 Fragment：hOGT4.5, UNP residues 323-1041 Casein kinase II subunit alpha × 2 （P68400） UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.95 Å R-free 0.252

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 3PE4 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1W3B The superhelical TPR domain of O-linked GlcNAc transferase reveals structural similarities to importin alpha. Deposited 2004-07-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 16–400（385 aa） Fragment：TPR DOMAIN, RESIDUES 16-400
Chain B 16–400（385 aa） Fragment：TPR DOMAIN, RESIDUES 16-400
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1M HEPES-NA/HCL PH 7.5 0.2M CACL2 36% PEG 400
Resolution 2.85 Å R-free 0.297
3PE3 Structure of human O-GlcNAc transferase and its complex with a peptide substrate Deposited 2010-10-25 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 323–1041（719 aa） Fragment：hOGT4.5, UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.45 M Potassium Phosphate Dibasic, 8 mM EDTA, 1% xylitol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.78 Å R-free 0.218
3PE3 Structure of human O-GlcNAc transferase and its complex with a peptide substrate Deposited 2010-10-25 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 323–1041（719 aa） Fragment：hOGT4.5, UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.45 M Potassium Phosphate Dibasic, 8 mM EDTA, 1% xylitol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.78 Å R-free 0.218
3PE3 Structure of human O-GlcNAc transferase and its complex with a peptide substrate Deposited 2010-10-25 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 323–1041（719 aa） Fragment：hOGT4.5, UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.45 M Potassium Phosphate Dibasic, 8 mM EDTA, 1% xylitol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.78 Å R-free 0.218
3PE3 Structure of human O-GlcNAc transferase and its complex with a peptide substrate Deposited 2010-10-25 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 323–1041（719 aa） Fragment：hOGT4.5, UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.45 M Potassium Phosphate Dibasic, 8 mM EDTA, 1% xylitol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.78 Å R-free 0.218
3TAX A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase Deposited 2011-08-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 FOR FORMYL GROUP × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.88 Å R-free 0.237
3TAX A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase Deposited 2011-08-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 FOR FORMYL GROUP × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.88 Å R-free 0.237
3TAX A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase Deposited 2011-08-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 FOR FORMYL GROUP × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.88 Å R-free 0.237
3TAX A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase Deposited 2011-08-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 FOR FORMYL GROUP × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.88 Å R-free 0.237
4AY5 Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide Deposited 2012-06-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 313–1031（719 aa） Fragment：TPR (TRUNCATED) AND CATALYTIC DOMAIN, RESIDUES 313-1031
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1% XYLITOL, pH 9.3
Resolution 3.15 Å R-free 0.204
4AY5 Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide Deposited 2012-06-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 313–1031（719 aa） Fragment：TPR (TRUNCATED) AND CATALYTIC DOMAIN, RESIDUES 313-1031
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1% XYLITOL, pH 9.3
Resolution 3.15 Å R-free 0.204
4AY5 Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide Deposited 2012-06-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 313–1031（719 aa） Fragment：TPR (TRUNCATED) AND CATALYTIC DOMAIN, RESIDUES 313-1031
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1% XYLITOL, pH 9.3
Resolution 3.15 Å R-free 0.204
4AY5 Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide Deposited 2012-06-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 313–1031（719 aa） Fragment：TPR (TRUNCATED) AND CATALYTIC DOMAIN, RESIDUES 313-1031
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1% XYLITOL, pH 9.3
Resolution 3.15 Å R-free 0.204
4AY6 Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide Deposited 2012-06-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 197–915（719 aa） Fragment：TPR (TRUNCATED) AND CATALYTIC DOMAIN, RESIDUES 197-915
Not recorded SO4 SULFATE ION × 1 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1 % XYLITOL, pH 9.3
Resolution 3.30 Å R-free 0.272
4AY6 Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide Deposited 2012-06-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 197–915（719 aa） Fragment：TPR (TRUNCATED) AND CATALYTIC DOMAIN, RESIDUES 197-915
Not recorded SO4 SULFATE ION × 1 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1 % XYLITOL, pH 9.3
Resolution 3.30 Å R-free 0.272
4AY6 Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide Deposited 2012-06-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 197–915（719 aa） Fragment：TPR (TRUNCATED) AND CATALYTIC DOMAIN, RESIDUES 197-915
Not recorded SO4 SULFATE ION × 1 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1 % XYLITOL, pH 9.3
Resolution 3.30 Å R-free 0.272
4AY6 Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide Deposited 2012-06-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 197–915（719 aa） Fragment：TPR (TRUNCATED) AND CATALYTIC DOMAIN, RESIDUES 197-915
Not recorded SO4 SULFATE ION × 1 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1 % XYLITOL, pH 9.3
Resolution 3.30 Å R-free 0.272
4CDR Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1 Deposited 2013-11-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 323–1041（719 aa） Fragment：TPR AND CATALYTIC DOMAIN, RESIDUES 323-1041
Not recorded SO4 SULFATE ION × 8 UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1% XYLITOL, pH 9.3
Resolution 3.15 Å R-free 0.213
4CDR Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1 Deposited 2013-11-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 323–1041（719 aa） Fragment：TPR AND CATALYTIC DOMAIN, RESIDUES 323-1041
Not recorded SO4 SULFATE ION × 6 UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1% XYLITOL, pH 9.3
Resolution 3.15 Å R-free 0.213
4CDR Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1 Deposited 2013-11-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 323–1041（719 aa） Fragment：TPR AND CATALYTIC DOMAIN, RESIDUES 323-1041
Not recorded SO4 SULFATE ION × 8 UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1% XYLITOL, pH 9.3
Resolution 3.15 Å R-free 0.213
4CDR Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1 Deposited 2013-11-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa） Fragment：TPR AND CATALYTIC DOMAIN, RESIDUES 323-1041
Not recorded SO4 SULFATE ION × 9 UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9.3；1.45 M K2HPO4, 10 MM EDTA, 1% XYLITOL, pH 9.3
Resolution 3.15 Å R-free 0.213
4GYW Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.205
4GYW Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.205
4GYW Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.205
4GYW Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.205
4GYY Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.237
4GYY Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.237
4GYY Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.237
4GYY Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.237
4GZ3 Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 2 0YT 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.250
4GZ3 Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 0YT 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.250
4GZ3 Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 4 0YT 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.250
4GZ3 Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 0YT 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.250
4GZ5 Crystal structure of human O-GlcNAc Transferase with UDP-GlcNAc Deposited 2012-09-06 Different construct 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 323–1041（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.08 Å R-free 0.229
4GZ5 Crystal structure of human O-GlcNAc Transferase with UDP-GlcNAc Deposited 2012-09-06 Different construct 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 323–1041（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.08 Å R-free 0.229
4GZ5 Crystal structure of human O-GlcNAc Transferase with UDP-GlcNAc Deposited 2012-09-06 Different construct 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 323–1041（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.08 Å R-free 0.229
4GZ5 Crystal structure of human O-GlcNAc Transferase with UDP-GlcNAc Deposited 2012-09-06 Different construct 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 323–1041（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.08 Å R-free 0.229
4GZ5 Crystal structure of human O-GlcNAc Transferase with UDP-GlcNAc Deposited 2012-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 323–1041（719 aa）
Chain B 323–1041（719 aa）
Chain C 323–1041（719 aa）
Chain D 323–1041（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 12 SO4 SULFATE ION × 48 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.08 Å R-free 0.229
4GZ6 Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc Deposited 2012-09-06 Different construct 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 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.98 Å R-free 0.223
4GZ6 Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc Deposited 2012-09-06 Different construct 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 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.98 Å R-free 0.223
4GZ6 Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc Deposited 2012-09-06 Different construct 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 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.98 Å R-free 0.223
4GZ6 Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc Deposited 2012-09-06 Different construct 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 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.98 Å R-free 0.223
4GZ6 Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc Deposited 2012-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 323–1041（719 aa）
Chain B 323–1041（719 aa）
Chain C 323–1041（719 aa）
Chain D 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 12 SO4 SULFATE ION × 51 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.98 Å R-free 0.223
4N39 Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) Deposited 2013-10-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.5 M Potassium Sodium Tartrate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.76 Å R-free 0.216
4N3A Crystal Structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (1-26)E10A Deposited 2013-10-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.72M Potassium Phosphate Monobasic, 0.88M Potassium Phosphate Dibasic, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.88 Å R-free 0.222
4N3B Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26)E10Q and UDP-5SGlcNAc Deposited 2013-10-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.4M Sodium Malonate, 0.1M Bis Tris Propane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.17 Å R-free 0.223
4N3C Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26) and UDP-GlcNAc Deposited 2013-10-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；298 K；0.86M Potassium Phosphate Dibasic, 0.86M Sodium Phosphate Monobasic, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.55 Å R-free 0.226
4XI9 Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2) Deposited 2015-01-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45 M potassium phosphate, 10 mM EDTA, 1% (w/v) xylitol
Resolution 3.10 Å R-free 0.223
4XI9 Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2) Deposited 2015-01-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45 M potassium phosphate, 10 mM EDTA, 1% (w/v) xylitol
Resolution 3.10 Å R-free 0.223
4XI9 Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2) Deposited 2015-01-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45 M potassium phosphate, 10 mM EDTA, 1% (w/v) xylitol
Resolution 3.10 Å R-free 0.223
4XI9 Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RBL2) Deposited 2015-01-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45 M potassium phosphate, 10 mM EDTA, 1% (w/v) xylitol
Resolution 3.10 Å R-free 0.223
4XIF Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7) Deposited 2015-01-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded SO4 SULFATE ION × 1 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45 M potassium phosphate, 10 mM EDTA, 1% (w/v) xylitol
Resolution 3.20 Å R-free 0.239
4XIF Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7) Deposited 2015-01-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded SO4 SULFATE ION × 1 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45 M potassium phosphate, 10 mM EDTA, 1% (w/v) xylitol
Resolution 3.20 Å R-free 0.239
4XIF Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7) Deposited 2015-01-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded SO4 SULFATE ION × 1 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45 M potassium phosphate, 10 mM EDTA, 1% (w/v) xylitol
Resolution 3.20 Å R-free 0.239
4XIF Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (keratin-7) Deposited 2015-01-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded SO4 SULFATE ION × 1 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45 M potassium phosphate, 10 mM EDTA, 1% (w/v) xylitol
Resolution 3.20 Å R-free 0.239
5BNW The active site of O-GlcNAc transferase imposes constraints on substrate sequence Deposited 2015-05-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 197–915（719 aa） Fragment：UNP residues 197-915
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；294 K；1.3 M DL-Malic acid pH 6.4, 0.1 M Bis-Tris propane pH 6.4 supplemented with crystal seeds grown out of the same condition.
Resolution 2.40 Å R-free 0.235
5C1D Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L) Deposited 2015-06-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 313–1031（719 aa） Fragment：UNP residues 313-1031
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；294.15 K；1.45 M Potassium diohydrogen phosphate, 8 mM EDTA, 1% xylitol (reservoir). 1.45 M Potassium diohydrogen phosphate, 8 mM EDTA, 1% xylitol, 0.5 M Ammonium sulfate (drop)
Resolution 2.05 Å R-free 0.229
5HGV Structure of an O-GlcNAc transferase point mutant, D554N in complex with peptide Deposited 2016-01-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa）
Mutation：D554N UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6 M Lithium Sulfate, 0.1 M Bis Tris Propane pH 7.0
Resolution 2.05 Å R-free 0.237
5HGV Structure of an O-GlcNAc transferase point mutant, D554N in complex with peptide Deposited 2016-01-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 323–1041（719 aa）
Mutation：D554N UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6 M Lithium Sulfate, 0.1 M Bis Tris Propane pH 7.0
Resolution 2.05 Å R-free 0.237
5HGV Structure of an O-GlcNAc transferase point mutant, D554N in complex with peptide Deposited 2016-01-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 323–1041（719 aa）
Mutation：D554N UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6 M Lithium Sulfate, 0.1 M Bis Tris Propane pH 7.0
Resolution 2.05 Å R-free 0.237
5HGV Structure of an O-GlcNAc transferase point mutant, D554N in complex with peptide Deposited 2016-01-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 323–1041（719 aa）
Mutation：D554N UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6 M Lithium Sulfate, 0.1 M Bis Tris Propane pH 7.0
Resolution 2.05 Å R-free 0.237
5LVV Human OGT in complex with UDP and fused substrate peptide (Tab1) Deposited 2016-09-14 Different construct 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 199–920（722 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；3.5M sodium formate, 0.1M Tris pH 8.5
Resolution 2.54 Å R-free 0.245
5LWV Human OGT in complex with UDP and fused substrate peptide (HCF1) Deposited 2016-09-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 315–1036（722 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；1.3M Ammonium tartrate diabasic; 0.1M Tris pH8.5
Resolution 1.90 Å R-free 0.199
5NPR The human O-GlcNAc transferase in complex with a thiol-linked bisubstrate inhibitor Deposited 2017-04-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 325–1041（717 aa） Fragment：UNP residues 325-1041
Not recorded K POTASSIUM ION × 1 94T [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；Reservoir solution: 1.45 M K2HPO4, 8 mM EDTA, 1% xylitol Drop solution: 1.45 M K2HPO4, 8 mM EDTA, 1% xylitol, 0.5 M (NH4)2SO4, crystal seeds Seeds were generated from crystals grown in 1.3 M DL-Malic acid, 0.1 M Bis-Tris propane pH 6.4
Resolution 1.85 Å R-free 0.236
5NPS The human O-GlcNAc transferase in complex with a bisubstrate inhibitor Deposited 2017-04-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 324–1041（718 aa）
Not recorded 94T [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；1.3 M DL-Malic acid, 0.1 M Bis-Tris propane pH 6.4 + seeds generated out of this condition
Resolution 1.68 Å R-free 0.221
5VIE Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase Deposited 2017-04-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Chain C 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 9C1 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose × 1 9CD 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；0.08 M Tris (pH 8.5), 0.02 M sodium cacodylate trihydrate (pH 6.5), 1.24 M ammonium sulfate, and 6% w/v polyethylene glycol 8,000.
Resolution 2.60 Å R-free 0.308
5VIF Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase Deposited 2017-04-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 323–1041（719 aa） Fragment：UNP residues 323-1041
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 9C1 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；0.08 M BIS-TRIS propane (pH 7.0), 0.02 M sodium cacodylate trihydrate (pH 6.5), 2.8 M sodium formate, 0.04 M ammonium sulfate, and 6% w/v polyethylene glycol 8,000.
Resolution 2.25 Å R-free 0.228
6E37 O-GlcNAc Transferase in complex with covalent inhibitor Deposited 2018-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 197–915（719 aa）
Not recorded HQV (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.45 M potassium phosphate dibasic 10 mM EDTA 1% xylitol
Resolution 2.53 Å R-free 0.211
6E37 O-GlcNAc Transferase in complex with covalent inhibitor Deposited 2018-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 197–915（719 aa）
Not recorded HQV (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.45 M potassium phosphate dibasic 10 mM EDTA 1% xylitol
Resolution 2.53 Å R-free 0.211
6EOU O-GlcNAc transferase TPR domain with the intellectual disability associated mutation L254F Deposited 2017-10-10 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 26–410（385 aa）
Mutation：L254F No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.2 K；0.1 M Na-HEPES and 0.1 M MOPS-HCl pH 7,5, 0.04 M diethylene glycol, 0.04 M triethylene glycol, 0.04 M tetraethylene glycol, 0.04 M pentaethylene glycol, 20 % v/v ethylene glycol and 10 % w/v PEG 4000
Resolution 1.75 Å R-free 0.227
6IBO Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability Deposited 2018-11-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.45 M K2HPO4, 8 mM EDTA and 1% xylitol
Resolution 2.17 Å R-free 0.254
6MA1 Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 4a Deposited 2018-08-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 197–915（719 aa）
Not recorded JA4 N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.1 M Sodium Citrate Tribasic Dihydrate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.75 Å R-free 0.240
6MA2 Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor ent-1a Deposited 2018-08-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 197–915（719 aa）
Not recorded J9S N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.05 M Sodium Citrate Tribasic Dihydrate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.218
6MA3 Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 2a Deposited 2018-08-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 197–915（719 aa）
Not recorded JAJ 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.05 M Sodium Citrate Tribasic Dihydrate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.212
6MA4 Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 3a Deposited 2018-08-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 197–915（719 aa）
Not recorded JA7 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.05 M Sodium Citrate Tribasic Dihydrate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.220
6MA5 Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 1a Deposited 2018-08-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 197–915（719 aa）
Not recorded J9V N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.05 M Sodium Citrate Tribasic Dihydrate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.210
6Q4M Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation Deposited 2018-12-06 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 323–1041（719 aa）
Mutation：N648Y 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；1.45 M K2HPO4, 8 mM EDTA and 1% xylitol.
Resolution 2.20 Å R-free 0.199
6TKA Crystal structure of human O-GlcNAc transferase bound to substrate 7 and a peptide from HCF-1 pro-repeat 2 (11-26) Deposited 2019-11-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain AAA 197–920（724 aa）
Not recorded NJ5 [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate × 1 NG8 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.45 M Potassium Sodium Tartrate 0.1 M Tris pH 8.5
Resolution 1.91 Å R-free 0.233
6TKA Crystal structure of human O-GlcNAc transferase bound to substrate 7 and a peptide from HCF-1 pro-repeat 2 (11-26) Deposited 2019-11-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain AAA 197–920（724 aa）
Not recorded NJ5 [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate × 2 NG8 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.45 M Potassium Sodium Tartrate 0.1 M Tris pH 8.5
Resolution 1.91 Å R-free 0.233
7NTF Cryo-EM structure of unliganded O-GlcNAc transferase Deposited 2021-03-09 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 2–1036（1035 aa）
Chain B 2–1036（1035 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5；25 mM HEPES pH 7.5 150 mM NaCl 1 mM DTT 0.5 % glycerol
cryo-EM vitrification conditions Cryogen ETHANE；Blot for 4 seconds before plunging
Resolution 5.32 Å
7YEA Human O-GlcNAc transferase Dimer Deposited 2022-07-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–1046（1046 aa）
Chain B 1–1046（1046 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.82 Å
7YEH Cryo-EM structure of human OGT-OGA complex Deposited 2022-07-05 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–1046（1046 aa）
Chain B 1–1046（1046 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.92 Å
8CM9 Structure of human O-GlcNAc transferase in complex with UDP and tP11 Deposited 2023-02-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；1.5 M potassium phosphate dibasic, 5 % xylitol and 10 mM EDTA
Resolution 2.80 Å R-free 0.224
8CM9 Structure of human O-GlcNAc transferase in complex with UDP and tP11 Deposited 2023-02-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；1.5 M potassium phosphate dibasic, 5 % xylitol and 10 mM EDTA
Resolution 2.80 Å R-free 0.224
8CM9 Structure of human O-GlcNAc transferase in complex with UDP and tP11 Deposited 2023-02-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；1.5 M potassium phosphate dibasic, 5 % xylitol and 10 mM EDTA
Resolution 2.80 Å R-free 0.224
8CM9 Structure of human O-GlcNAc transferase in complex with UDP and tP11 Deposited 2023-02-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 323–1041（719 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；1.5 M potassium phosphate dibasic, 5 % xylitol and 10 mM EDTA
Resolution 2.80 Å R-free 0.224
8FE6 Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide and UDP-GlcNAc Deposited 2022-12-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 313–1031（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45M potassium phosphate, 10mM EDTA pH 8, 1% Xylitol
Resolution 3.06 Å R-free 0.219
8FE6 Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide and UDP-GlcNAc Deposited 2022-12-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 313–1031（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45M potassium phosphate, 10mM EDTA pH 8, 1% Xylitol
Resolution 3.06 Å R-free 0.219
8FE6 Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide and UDP-GlcNAc Deposited 2022-12-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 313–1031（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45M potassium phosphate, 10mM EDTA pH 8, 1% Xylitol
Resolution 3.06 Å R-free 0.219
8FE6 Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide and UDP-GlcNAc Deposited 2022-12-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 313–1031（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.45M potassium phosphate, 10mM EDTA pH 8, 1% Xylitol
Resolution 3.06 Å R-free 0.219
8FE7 Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (SMG9) and UDP-GlcNAc Deposited 2022-12-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 313–1031（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol
Resolution 2.98 Å R-free 0.217
8FE7 Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (SMG9) and UDP-GlcNAc Deposited 2022-12-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 313–1031（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol
Resolution 2.98 Å R-free 0.217
8FE7 Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (SMG9) and UDP-GlcNAc Deposited 2022-12-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 313–1031（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol
Resolution 2.98 Å R-free 0.217
8FE7 Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (SMG9) and UDP-GlcNAc Deposited 2022-12-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 313–1031（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9M Ammonium Sulfate, 0.1M Tris pH 8.5, 1% Xylitol
Resolution 2.98 Å R-free 0.217
8FUF Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (ZNF831) and UDP-GlcNAc Deposited 2023-01-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 197–915（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9M Ammonium Sulfate, 0.1M Tris pH=8.5, 1% Xylitol
Resolution 3.69 Å R-free 0.242
8FUF Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (ZNF831) and UDP-GlcNAc Deposited 2023-01-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 197–915（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9M Ammonium Sulfate, 0.1M Tris pH=8.5, 1% Xylitol
Resolution 3.69 Å R-free 0.242
8FUF Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (ZNF831) and UDP-GlcNAc Deposited 2023-01-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 197–915（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9M Ammonium Sulfate, 0.1M Tris pH=8.5, 1% Xylitol
Resolution 3.69 Å R-free 0.242
8FUF Crystal structure of human O-GlcNAc transferase (OGT) in complex with an exosite-binding peptide (ZNF831) and UDP-GlcNAc Deposited 2023-01-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 197–915（719 aa）
Not recorded UD1 URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.9M Ammonium Sulfate, 0.1M Tris pH=8.5, 1% Xylitol
Resolution 3.69 Å R-free 0.242

43 other PDB entries and 98 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name OGT1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 5–723； UniProt 323–1041 Author chain C； PDBConstruct 5–723； UniProt 323–1041

Casein kinase II subunit alpha

OrganismNot specified

UniProt P68400

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 340–352 Fragment：UNP residues 340-352 UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit × 1 （O15294） UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.95 Å R-free 0.252
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain D； UniProt 340–352 Fragment：UNP residues 340-352 UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit × 1 （O15294） UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.95 Å R-free 0.252
3 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain B； UniProt 340–352 Fragment：UNP residues 340-352 UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit × 2 （O15294） UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.95 Å R-free 0.252
4 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count Chain D； UniProt 340–352 Fragment：UNP residues 340-352 UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit × 2 （O15294） UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 1.95 Å R-free 0.252

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 3PE4 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
11UC Crystal structure of Casein Kinase 2 (CK2) alpha in complex with BMS-595 Deposited 2026-03-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.215
1JWH Crystal Structure of Human Protein Kinase CK2 Holoenzyme Deposited 2001-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–337（337 aa）
Chain B 1–337（337 aa）
Not recorded PO4 PHOSPHATE ION × 7 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.3；285 K；initial composition of the drop: 3 ul rhCK2 stock solution [5 mg/ml enzyme in 25 mM Tris/HCl, 300 mM NaCl, 1 mM dithiothreitole, pH 8.5], 1.5 ul reservoir solution [20 % (w/v) PEG3350, 200 mM dipotassium hydrogenphosphate], 3 ul 1 mM adenylyl imidodiphosphate (AMPPNP), 3 ul 2 mM magnesium chloride, 2 ul 10 % (w/v) polyethylene glycol 400 dodecylether (Thesit), pH 9.3, VAPOR DIFFUSION, SITTING DROP, temperature 285K
Resolution 3.10 Å R-free 0.338
1NA7 Crystal structure of the catalytic subunit of human protein kinase CK2 Deposited 2002-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–329（329 aa） Fragment：Catalytic subunit
Mutation：E27A, K76N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions LB Modified hanging drop method；pH 8；293 K；PEG 3500, NaAC, Tris, pH 8, LB Modified hanging drop method, temperature 293K
Resolution 2.40 Å R-free 0.273
1PJK Crystal Structure of a C-terminal deletion mutant of human protein kinase CK2 catalytic subunit Deposited 2003-06-03 Different construct 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 2–335（334 aa） Fragment：residue 2-335
Not recorded CL CHLORIDE ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；PEGmme 5000, ammonium sulfate, MES, adenylyl imidodiphosphate, magnesium chloride, peptide RRRADDSDDDDD, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.257
2PVR Crystal structure of the catalytic subunit of protein kinase CK2 (C-terminal deletion mutant 1-335) in complex with two sulfate ions Deposited 2007-05-10 Different construct 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 2–335（334 aa） Fragment：catalytic domain, residues 1-335
Not recorded SO4 SULFATE ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；PEGmme 5000, ammonium sulfate, MES, adenylyl imidodiphosphate, magnesium chloride, peptide RRRADDSDDDDD, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.241
2ZJW Crystal structure of human CK2 alpha complexed with Ellagic acid Deposited 2008-03-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：Protein kinase domain, UNP residues 1-335
Not recorded REF 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；25% ethylene glycol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.40 Å R-free 0.274
3AMY Crystal structure of human CK2 alpha complexed with apigenin Deposited 2010-08-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：PROTEIN KINASE DOMAIN, RESIDUES 1-335
Not recorded AGI 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；25% ethylene glycol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 2.30 Å R-free 0.340
3AT2 Crystal structure of CK2alpha Deposited 2010-12-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：residues 1-335
Not recorded EDO 1,2-ETHANEDIOL × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；25% ethyleneglycol, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.60 Å R-free 0.197
3AT3 Crystal structure of CK2alpha with pyradine derivative Deposited 2010-12-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：residues 1-335
Not recorded ATK (1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；25% ethyleneglycol, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.60 Å R-free 0.263
3AT4 Crystal structure of CK2alpha with pyradine derivertive Deposited 2010-12-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：residues 1-335
Not recorded CCK [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；25% ethyleneglycol, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.20 Å R-free 0.251
3AXW Crystal structure of human CK2alpha complexed with a potent inhibitor Deposited 2011-04-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：RESIDUES 1-335
Not recorded TID 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；25% ethylene glycol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.50 Å R-free 0.295
3BQC High pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2 Deposited 2007-12-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：residues 1-335
Not recorded CL CHLORIDE ION × 2 EMO 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Protein stock solution: 10mg/ml protein in 500mM NaCl, 25mM Tris/HCl, pH 8.5 Emodin stock solution: 10mM in water Protein/emodin mixture: equal volumes of protein and emodin stock solutions were mixed and equillibrated for 30 min prior to crystallization Reservoir: 30% PEG4000, 0.2M lithium sulfate, 0.1M Tris/HCl, pH 8.5 Crystallization drop: 2 mikroliters protein/emodin mixture plus 1 mikroliter reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.50 Å R-free 0.197
3C13 Low pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2 Deposited 2008-01-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：RESIDUES 1-335
Not recorded CL CHLORIDE ION × 2 EMO 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；Protein stock solution: 10mg/ml protein in 500mM NaCl, 25mM Tris/HCl, pH 8.5 Emodin stock solution: 10mM in water Protein/emodin mixture: equal volumes of protein and emodin stock solutions were mixed and equillibrated for 30 min prior to crystallization Reservoir: 30% PEG4000, 0.2M ammonium acetate, 0.1M sodium citrate, pH 5.6 Crystallization drop: 2 microliters protein/emodin mixture plus 1 microliter reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.95 Å R-free 0.233
3FWQ Inactive conformation of human protein kinase CK2 catalytic subunit Deposited 2009-01-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Mutation：residues 1-335 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Protein stock solution: 10mg/ml CK2alpha, 500mM sodium chloride, 25mM Tris/HCl, pH 8.5; Reservoir: 2M ammonium sulfate, 2M sodium chloride; Drop: 0.001mL reservoir solution, 0.001mL protein stock solution, 0.003mL 1mM AMPPNP, 0.0006mL 10mM magnesium chloride, 0.0001mL glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.30 Å R-free 0.233
3FWQ Inactive conformation of human protein kinase CK2 catalytic subunit Deposited 2009-01-19 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 1–335（335 aa）
Mutation：residues 1-335 GOL GLYCEROL × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；Protein stock solution: 10mg/ml CK2alpha, 500mM sodium chloride, 25mM Tris/HCl, pH 8.5; Reservoir: 2M ammonium sulfate, 2M sodium chloride; Drop: 0.001mL reservoir solution, 0.001mL protein stock solution, 0.003mL 1mM AMPPNP, 0.0006mL 10mM magnesium chloride, 0.0001mL glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.30 Å R-free 0.233
3H30 Crystal structure of the catalytic subunit of human protein kinase CK2 with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole Deposited 2009-04-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–334（334 aa） Fragment：catalytic subunit, residues 1-334
Not recorded RFZ 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole × 2 CL CHLORIDE ION × 14 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.5M ammonium sulfate, 0.2M tri-sodium citrate, 0.2M K/Na tartrate pH 5.6, the enzyme was preincubated with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.56 Å R-free 0.198
3H30 Crystal structure of the catalytic subunit of human protein kinase CK2 with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole Deposited 2009-04-15 Different construct 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 1–334（334 aa） Fragment：catalytic subunit, residues 1-334
Not recorded RFZ 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole × 1 CL CHLORIDE ION × 18 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.5M ammonium sulfate, 0.2M tri-sodium citrate, 0.2M K/Na tartrate pH 5.6, the enzyme was preincubated with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.56 Å R-free 0.198
3H30 Crystal structure of the catalytic subunit of human protein kinase CK2 with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole Deposited 2009-04-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–334（334 aa） Fragment：catalytic subunit, residues 1-334
Chain B 1–334（334 aa） Fragment：catalytic subunit, residues 1-334
Not recorded RFZ 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole × 3 CL CHLORIDE ION × 32 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.5M ammonium sulfate, 0.2M tri-sodium citrate, 0.2M K/Na tartrate pH 5.6, the enzyme was preincubated with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.56 Å R-free 0.198
3JUH Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity Deposited 2009-09-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：residues 1-335
Mutation：V66A, M163L CL CHLORIDE ION × 3 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；2.2M sodium citrate, 2mM AMPPNP, 4mM magnesium chloride, 0.62mM peptide RRRADDSDDDDD, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.66 Å R-free 0.218
3JUH Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate specificity Deposited 2009-09-15 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 1–335（335 aa） Fragment：residues 1-335
Mutation：V66A, M163L CL CHLORIDE ION × 3 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；2.2M sodium citrate, 2mM AMPPNP, 4mM magnesium chloride, 0.62mM peptide RRRADDSDDDDD, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.66 Å R-free 0.218
3MB6 Human CK2 catalytic domain in complex with a difurane derivative inhibitor (CPA) Deposited 2010-03-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–331（331 aa） Fragment：UNP residues 1-331
Not recorded 01I naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；36 % polyethylene glycol 5000 monomethyl ether, 150 mM ammonium sulphate and 100 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.75 Å R-free 0.229
3MB7 Human CK2 catalytic domain in complex with a difurane derivative inhibitor (AMR) Deposited 2010-03-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–331（331 aa） Fragment：UNP residues 1-331
Not recorded 14I naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；36 % polyethylene glycol 5000 monomethyl ether, 150 mM ammonium sulphate and 100 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.65 Å R-free 0.239
3NGA Human CK2 catalytic domain in complex with CX-4945 Deposited 2010-06-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–333（333 aa） Fragment：UNP residues 1-333
Not recorded 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；20-26% PEG 4000, 0.2 M ammonium sulfate, 0.1 M sodium citrate pH 6, 1 mM MgCl2 and 10 mM AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.71 Å R-free 0.218
3NGA Human CK2 catalytic domain in complex with CX-4945 Deposited 2010-06-11 Different construct 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 1–333（333 aa） Fragment：UNP residues 1-333
Not recorded 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；20-26% PEG 4000, 0.2 M ammonium sulfate, 0.1 M sodium citrate pH 6, 1 mM MgCl2 and 10 mM AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.71 Å R-free 0.218
3NSZ Human CK2 catalytic domain in complex with AMPPN Deposited 2010-07-02 Different construct 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 2–331（330 aa） Fragment：UNP residues 2-331
Not recorded GOL GLYCEROL × 1 SO4 SULFATE ION × 2 MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；20-26% PEG 4000, 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CITRATE PH 6, 1 MM MGCL2 AND 10 MM AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.30 Å R-free 0.187
3PE1 Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945 Deposited 2010-10-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa） Fragment：unp residues 1-337
Not recorded 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG 4000, 0.2M Li2SO4, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.203
3PE2 Crystal structure of human protein kinase CK2 in complex with the inhibitor CX-5011 Deposited 2010-10-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa） Fragment：unp residues 1-337
Not recorded E1B 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG 4000, 0.2M Li2SO4, 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.90 Å R-free 0.222
3Q04 Crystal structure of the apo-form of human CK2 alpha at pH 8.5 Deposited 2010-12-15 Different construct 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 3–330（328 aa） Fragment：UNP RESIDUES 3-330
Not recorded SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；30% PEG 4000, 0.2M lithium sulfate, 0.1M TrisHCl, pH 8.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.80 Å R-free 0.216
3Q9W Crystal structure of human CK2 alpha in complex with emodin at pH 8.5 Deposited 2011-01-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：UNP residues 1-336
Not recorded EMO 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；30% PEG 4000, 0.2M lithium sulfate, 0.1M TrisHCl, pH 8.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.70 Å R-free 0.223
3Q9X Crystal structure of human CK2 alpha in complex with emodin at pH 6.5 Deposited 2011-01-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：UNP residues 1-336
Not recorded EMO 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE × 1 EDO 1,2-ETHANEDIOL × 1 7PE 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M Mes, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.243
3Q9X Crystal structure of human CK2 alpha in complex with emodin at pH 6.5 Deposited 2011-01-10 Different construct 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 1–336（336 aa） Fragment：UNP residues 1-336
Not recorded EMO 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE × 1 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M Mes, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.243
3Q9Y Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 8.5 Deposited 2011-01-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：UNP residues 1-336
Not recorded TXQ 1,2,5,8-tetrahydroxyanthracene-9,10-dione × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；30% PEG 4000, 0.2M lithium sulfate, 0.1M TrisHCl, pH 8.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.80 Å R-free 0.241
3Q9Z Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 6.5 Deposited 2011-01-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：UNP residues 1-336
Not recorded SO4 SULFATE ION × 3 TXQ 1,2,5,8-tetrahydroxyanthracene-9,10-dione × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M Mes pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.267
3Q9Z Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 6.5 Deposited 2011-01-10 Different construct 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 1–336（336 aa） Fragment：UNP residues 1-336
Not recorded SO4 SULFATE ION × 3 TXQ 1,2,5,8-tetrahydroxyanthracene-9,10-dione × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M Mes pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.267
3QA0 Crystal structure of the apo-form of human CK2 alpha at pH 6.5 Deposited 2011-01-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：UNP residues 1-336
Not recorded SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M Mes pH 6.5, vapor diffusion, sitting drop, temperature 293K
Resolution 2.50 Å R-free 0.249
3QA0 Crystal structure of the apo-form of human CK2 alpha at pH 6.5 Deposited 2011-01-10 Different construct 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 1–336（336 aa） Fragment：UNP residues 1-336
Not recorded SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；20% PEG 5000 MME, 0.2M ammonium sulfate, 0.1M Mes pH 6.5, vapor diffusion, sitting drop, temperature 293K
Resolution 2.50 Å R-free 0.249
3R0T Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279 Deposited 2011-03-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa） Fragment：unp residues 1-337
Not recorded FU9 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid × 1 SO4 SULFATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG 4000, 0.2M Li2SO4, 0.1M Tris pH 8.5, vapor diffusion, sitting drop, temperature 293K
Resolution 1.75 Å R-free 0.211
3RPS Structure of human CK2alpha in complex with the ATP-competitive inhibitor 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol Deposited 2011-04-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：unp residues 1-335
Not recorded 4B0 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.228
3RPS Structure of human CK2alpha in complex with the ATP-competitive inhibitor 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol Deposited 2011-04-27 Different construct 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 1–335（335 aa） Fragment：unp residues 1-335
Not recorded SO4 SULFATE ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.228
3TAX A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase Deposited 2011-08-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 340–352（13 aa） Fragment：UNP residues 340-352
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 FOR FORMYL GROUP × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.88 Å R-free 0.237
3TAX A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase Deposited 2011-08-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 340–352（13 aa） Fragment：UNP residues 340-352
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 FOR FORMYL GROUP × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.88 Å R-free 0.237
3TAX A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase Deposited 2011-08-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 340–352（13 aa） Fragment：UNP residues 340-352
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 FOR FORMYL GROUP × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.88 Å R-free 0.237
3TAX A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase Deposited 2011-08-04 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 340–352（13 aa） Fragment：UNP residues 340-352
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 FOR FORMYL GROUP × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.88 Å R-free 0.237
3U4U Casein kinase 2 in complex with AZ-Inhibitor Deposited 2011-10-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–333（333 aa）
Not recorded LNH 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.20 Å R-free 0.269
3U87 Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue Deposited 2011-10-16 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–325（325 aa） Fragment：;KINASE II SUBUNIT ALPHA (UNP RESIDUES 1-325), KINASE II SUBUNIT ALPHA' (UNP RESIDUES 327-350) ;
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；293 K；reservoir: 15% polyethylene glycol 8000, 15% glycerol, 0.17 M ammonium sulfate, 0.1 M sodium cacodylate buffer; drop: 0.8 uL reservoir solution, 0.8 uL protein solution (12.6 mg/ml), 0.5 uL 10% anapoe 305 (detergent), 1.5 uL 5 mM AMPPNP, 1.5 uL 10 mM magnesium chloride, 1.5 uL CK2 substrate peptide (sequence RRRADDSDDDDD), pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.218
3U87 Structure of a chimeric construct of human CK2alpha and human CK2alpha' in complex with a non-hydrolysable ATP-analogue Deposited 2011-10-16 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–325（325 aa） Fragment：;KINASE II SUBUNIT ALPHA (UNP RESIDUES 1-325), KINASE II SUBUNIT ALPHA' (UNP RESIDUES 327-350) ;
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；293 K；reservoir: 15% polyethylene glycol 8000, 15% glycerol, 0.17 M ammonium sulfate, 0.1 M sodium cacodylate buffer; drop: 0.8 uL reservoir solution, 0.8 uL protein solution (12.6 mg/ml), 0.5 uL 10% anapoe 305 (detergent), 1.5 uL 5 mM AMPPNP, 1.5 uL 10 mM magnesium chloride, 1.5 uL CK2 substrate peptide (sequence RRRADDSDDDDD), pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.218
3U9C Structure of a C-terminal deletion mutant of human protein kinase CK2 catalytic subunit with the ATP-competitive inhibitor resorufin Deposited 2011-10-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded SO4 SULFATE ION × 3 04G 7-hydroxy-3H-phenoxazin-3-one × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；293 K；reservoir: 30 % polyethylene glycol 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate buffer; drop: 2 microliters preincubated CK2alpha/resorufin mixture (5 mM resorufin, 5 mg/ml Ck2alpha), 1 reservoir solution , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.20 Å R-free 0.231
3U9C Structure of a C-terminal deletion mutant of human protein kinase CK2 catalytic subunit with the ATP-competitive inhibitor resorufin Deposited 2011-10-18 Different construct 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 1–335（335 aa）
Not recorded SO4 SULFATE ION × 4 04G 7-hydroxy-3H-phenoxazin-3-one × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；293 K；reservoir: 30 % polyethylene glycol 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate buffer; drop: 2 microliters preincubated CK2alpha/resorufin mixture (5 mM resorufin, 5 mg/ml Ck2alpha), 1 reservoir solution , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.20 Å R-free 0.231
3U9C Structure of a C-terminal deletion mutant of human protein kinase CK2 catalytic subunit with the ATP-competitive inhibitor resorufin Deposited 2011-10-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–335（335 aa）
Chain B 1–335（335 aa）
Not recorded SO4 SULFATE ION × 7 04G 7-hydroxy-3H-phenoxazin-3-one × 2 GOL GLYCEROL × 5 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；293 K；reservoir: 30 % polyethylene glycol 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate buffer; drop: 2 microliters preincubated CK2alpha/resorufin mixture (5 mM resorufin, 5 mg/ml Ck2alpha), 1 reservoir solution , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.20 Å R-free 0.231
3W8L Crystal structure of human CK2 in complex with inositol hexakisphosphate Deposited 2013-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：UNP Residues 1-335
Mutation：I57V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；296 K；17% polyethylene glycol 4000, 15% glycerol, 8.5% isopropanol, 0.085M Sodium HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K
Resolution 2.40 Å R-free 0.248
3W8L Crystal structure of human CK2 in complex with inositol hexakisphosphate Deposited 2013-03-15 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 1–335（335 aa） Fragment：UNP Residues 1-335
Mutation：I57V IHP INOSITOL HEXAKISPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；296 K；17% polyethylene glycol 4000, 15% glycerol, 8.5% isopropanol, 0.085M Sodium HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K
Resolution 2.40 Å R-free 0.248
3WAR Crystal structure of human CK2a Deposited 2013-05-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：UNP residues 1-335
Not recorded NIO NICOTINIC ACID × 1 EDO 1,2-ETHANEDIOL × 19 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；25% ethylene glycol, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.04 Å R-free 0.168
3WIK Crystal structure of the CK2alpha/compound10 complex Deposited 2013-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：UNP RESIDUES 1-335
Not recorded LCT N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；25% ethyleneglycol, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.00 Å R-free 0.211
3WIL Crystal structure of the CK2alpha/compound3 complex Deposited 2013-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：UNP RESIDUES 1-335
Not recorded LCD {[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；25% ethyleneglycol, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.90 Å R-free 0.281
3WOW Crystal structure of human CK2a with AMPPNP Deposited 2014-01-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；25% ethylene glycol, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.50 Å R-free 0.240
4DGL Crystal Structure of the CK2 Tetrameric Holoenzyme Deposited 2012-01-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–335（335 aa）
Chain D 1–335（335 aa）
Mutation：R125Y Mutation：R125Y ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；PEG 3350 18%, 0.2 M sodium malonate, pH 7, vapor diffusion, temperature 293K
Resolution 3.00 Å R-free 0.222
4FBX Complex structure of human protein kinase CK2 catalytic subunit crystallized in the presence of a bisubstrate inhibitor Deposited 2012-05-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–335（335 aa）
Not recorded CL CHLORIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；The concentrated enzyme solution contained 6.2 mg/ml protein dissolved in 500 mM NaCl, 25 mM Tris/HCl, pH 8.5. Nine volume parts of this protein stock solution were mixed with one part 12 mM ARC-1154 dissolved in 100% dimethyl sulfoxide. The CK2alpha1-335/ARC-1154 mixture was incubated for 30 min at room temperature. The best crystals grew with a reservoir solution composed of 4.4 M NaCl, 100 mM citric acid, pH 5.25 and mixing 2 microliter of this reservoir solution with microliter CK2alpha1-335/ARC-1154 mixture, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.33 Å R-free 0.249
4GRB Casein kinase 2 (CK2) bound to inhibitor Deposited 2012-08-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–333（333 aa） Fragment：Transferase
Not recorded CL CHLORIDE ION × 1 0XG 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.15 Å R-free 0.251
4GUB Casein Kinase II bound to Inhibitor Deposited 2012-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–333（333 aa） Fragment：subunit alpha
Not recorded 0Y4 N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.20 Å R-free 0.238
4GYW Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 340–352（13 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.205
4GYW Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 340–352（13 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.205
4GYW Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 340–352（13 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.205
4GYW Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 340–352（13 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.205
4GYY Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 340–352（13 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.237
4GYY Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 340–352（13 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.237
4GYY Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 340–352（13 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.237
4GYY Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 340–352（13 aa）
Not recorded 12V (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.237
4GZ3 Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 340–352（13 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 2 0YT 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.250
4GZ3 Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 340–352（13 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 1 SO4 SULFATE ION × 1 0YT 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.250
4GZ3 Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 340–352（13 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 4 0YT 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.250
4GZ3 Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide Deposited 2012-09-05 Different construct Different ligand/ion Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 340–352（13 aa）
Not recorded UDP URIDINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 0YT 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.6M Lithium Sulfate, 0.1M Bis Tris Propane pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.250
4IB5 Structure of human protein kinase CK2 catalytic subunit in complex with a CK2beta-competitive cyclic peptide Deposited 2012-12-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–335（335 aa） Fragment：UNP residues 1-355
Not recorded GOL GLYCEROL × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.218
4IB5 Structure of human protein kinase CK2 catalytic subunit in complex with a CK2beta-competitive cyclic peptide Deposited 2012-12-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–335（335 aa） Fragment：UNP residues 1-355
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.218
4IB5 Structure of human protein kinase CK2 catalytic subunit in complex with a CK2beta-competitive cyclic peptide Deposited 2012-12-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–335（335 aa） Fragment：UNP residues 1-355
Not recorded GOL GLYCEROL × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.218
4KWP Crystal Structure of Human CK2-alpha in complex with a benzimidazole inhibitor (K164) at 1.25 A resolution Deposited 2013-05-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：UNP residues 1-336
Not recorded SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 3 EXX 4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole × 1 PGE TRIETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0.1 M Tris-HCl, 0.2 M lithium sulphate, 32% w/v PEG 4000, pH 8.5, vapor diffusion, temperature 293K
Resolution 1.25 Å R-free 0.170
4MD7 Crystal Structure of full-length symmetric CK2 holoenzyme Deposited 2013-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–391（391 aa）
Chain F 1–391（391 aa）
Mutation：T344E/T360E/S362E/S370E Mutation：T344E/T360E/S362E/S370E ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；20% PEG3350, 0.2 M ammonium citrate, pH 6.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.10 Å R-free 0.263
4MD7 Crystal Structure of full-length symmetric CK2 holoenzyme Deposited 2013-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 1–391（391 aa）
Chain H 1–391（391 aa）
Mutation：T344E/T360E/S362E/S370E Mutation：T344E/T360E/S362E/S370E ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；20% PEG3350, 0.2 M ammonium citrate, pH 6.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.10 Å R-free 0.263
4MD8 Crystal Structure of full-length symmetric CK2 holoenzyme with mutated alpha subunit (F121E) Deposited 2013-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–391（391 aa）
Chain F 1–391（391 aa）
Mutation：F121E Mutation：F121E ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；20% PEG3350, 0.2 M ammonium citrate, pH 6.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.30 Å R-free 0.249
4MD8 Crystal Structure of full-length symmetric CK2 holoenzyme with mutated alpha subunit (F121E) Deposited 2013-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 1–391（391 aa）
Chain H 1–391（391 aa）
Mutation：F121E Mutation：F121E ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；20% PEG3350, 0.2 M ammonium citrate, pH 6.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.30 Å R-free 0.249
4MD9 Crystal Structure of symmetric CK2 holoenzyme with mutated alpha subunit (F121E truncated at aa 336) Deposited 2013-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1–336（336 aa） Fragment：kinase domain (UNP residues 1-336)
Chain F 1–336（336 aa） Fragment：kinase domain (UNP residues 1-336)
Mutation：F121E Mutation：F121E ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；20% PEG3350, 0.2 M ammonium citrate, pH 6.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.50 Å R-free 0.259
4MD9 Crystal Structure of symmetric CK2 holoenzyme with mutated alpha subunit (F121E truncated at aa 336) Deposited 2013-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 1–336（336 aa） Fragment：kinase domain (UNP residues 1-336)
Chain K 1–336（336 aa） Fragment：kinase domain (UNP residues 1-336)
Mutation：F121E Mutation：F121E ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；20% PEG3350, 0.2 M ammonium citrate, pH 6.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.50 Å R-free 0.259
4MD9 Crystal Structure of symmetric CK2 holoenzyme with mutated alpha subunit (F121E truncated at aa 336) Deposited 2013-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 1–336（336 aa） Fragment：kinase domain (UNP residues 1-336)
Chain P 1–336（336 aa） Fragment：kinase domain (UNP residues 1-336)
Mutation：F121E Mutation：F121E ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；20% PEG3350, 0.2 M ammonium citrate, pH 6.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.50 Å R-free 0.259
4MD9 Crystal Structure of symmetric CK2 holoenzyme with mutated alpha subunit (F121E truncated at aa 336) Deposited 2013-08-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain L 1–336（336 aa） Fragment：kinase domain (UNP residues 1-336)
Chain M 1–336（336 aa） Fragment：kinase domain (UNP residues 1-336)
Mutation：F121E Mutation：F121E ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；20% PEG3350, 0.2 M ammonium citrate, pH 6.5, VAPOR DIFFUSION, temperature 277K
Resolution 3.50 Å R-free 0.259
4NH1 Crystal structure of a heterotetrameric CK2 holoenzyme complex carrying the Andante-mutation in CK2beta and consistent with proposed models of autoinhibition and trans-autophosphorylation Deposited 2013-11-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–335（335 aa） Fragment：UNP residues 1-335
Chain B 1–335（335 aa） Fragment：UNP residues 1-335
Not recorded MG MAGNESIUM ION × 4 ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 GOL GLYCEROL × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.30 Å R-free 0.251
4RLL Crystal structure of human CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate Deposited 2014-10-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：N-terminal domain (UNP residues 1-335)
Not recorded GOL GLYCEROL × 1 E91 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；Reservoir: 30 % PEG 4000, 0.2 M ammonium acetate, 0.1 M sodium citrate pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.85 Å R-free 0.213
4UB7 High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond Deposited 2014-08-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric
Chain A 1–335（335 aa） Fragment：UNP residues 1-335
Not recorded 3G5 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid × 1 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；4M sodium chloride
Resolution 2.10 Å R-free 0.219
4UBA Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) Deposited 2014-08-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric
Chain A 1–335（335 aa） Fragment：UNP residues 1-335
Not recorded 3G5 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；Reservoir: 30 %(w/v) PEG4000, 0.2 M ammonium acetate, 0.1 M trisodium citrate
Resolution 3.00 Å R-free 0.239
4UBA Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) Deposited 2014-08-12 Different construct 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 1–335（335 aa） Fragment：UNP residues 1-335
Not recorded 3G5 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；Reservoir: 30 %(w/v) PEG4000, 0.2 M ammonium acetate, 0.1 M trisodium citrate
Resolution 3.00 Å R-free 0.239
5B0X Crystal structure of the CK2a/benzoic acid derivative complex Deposited 2015-11-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：UNP residues 1-335
Not recorded HCK 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；ethylene glycol
Resolution 2.30 Å R-free 0.234
5CLP Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound Deposited 2015-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：UNP residues 2-329
Mutation：R21S 42J 2-(3,4-dichlorophenyl)ethanamine × 6 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.68 Å R-free 0.193
5CLP Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound Deposited 2015-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–329（328 aa） Fragment：UNP residues 2-329
Mutation：R21S 42J 2-(3,4-dichlorophenyl)ethanamine × 5 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.68 Å R-free 0.193
5CQU Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry Deposited 2015-07-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded JRJ 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；Protein solution: 6 mg/ml CK2alpha, 0.44 mM AMPPNP, 0.89 mM magnesium chloride, 250 mM NaCl, 12.5 mM Tris/HCl, pH 8.5; Reservoir: 30%(w/v) PEG4000, 0.2 M Lithiumsulfate, 0.1 M Tris/HCL, pH 8.5; the inhibitor JRJ was introduced by extensive soaking for one week
Resolution 2.35 Å R-free 0.251
5CQW Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry Deposited 2015-07-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded JRJ 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine × 1 SO4 SULFATE ION × 6 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Protein solution: 6 mg/ml CK2alpha, 1 mM Inhibitor, 10 %(v/v) DMSO, 250 mM NaCl, 12.5 mM Tris/HCl, pH 8.5; Reservoir: 25 %(w/v) PEG 3350, 0.2 M Lithiumsulfate, 0.1 M Bis-Tris/HCl, pH 5.5; drop: 1 Mikroliter pre-incubated CK2alpha/Inhibitor solution and 1 Mikroliter reservoir
Resolution 2.65 Å R-free 0.229
5CQW Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry Deposited 2015-07-22 Different construct 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 1–335（335 aa）
Not recorded JRJ 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine × 1 SO4 SULFATE ION × 5 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；Protein solution: 6 mg/ml CK2alpha, 1 mM Inhibitor, 10 %(v/v) DMSO, 250 mM NaCl, 12.5 mM Tris/HCl, pH 8.5; Reservoir: 25 %(w/v) PEG 3350, 0.2 M Lithiumsulfate, 0.1 M Bis-Tris/HCl, pH 5.5; drop: 1 Mikroliter pre-incubated CK2alpha/Inhibitor solution and 1 Mikroliter reservoir
Resolution 2.65 Å R-free 0.229
5CS6 Crystal Structure of CK2alpha with Compound 3 bound Deposited 2015-07-23 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 2–329（328 aa） Fragment：UNP residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 3 K82 1-(3-chloro-4-propoxyphenyl)methanamine × 4 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.88 Å R-free 0.216
5CS6 Crystal Structure of CK2alpha with Compound 3 bound Deposited 2015-07-23 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 2–329（328 aa） Fragment：UNP residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.88 Å R-free 0.216
5CSH Crystal Structure of CK2alpha with Compound 4 bound Deposited 2015-07-23 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S 54E 1-(2-chlorobiphenyl-4-yl)methanamine × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.59 Å R-free 0.207
5CSH Crystal Structure of CK2alpha with Compound 4 bound Deposited 2015-07-23 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S 54E 1-(2-chlorobiphenyl-4-yl)methanamine × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.59 Å R-free 0.207
5CSP Crystal Structure of CK2alpha with Compound 5 bound Deposited 2015-07-23 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 2–329（328 aa） Fragment：UNP residues 2-329
Mutation：R21S, K74A, K75A, K76A 54G 2-hydroxy-5-methylbenzoic acid × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.50 Å R-free 0.186
5CSV Crystal Structure of CK2alpha with Compound 6 bound Deposited 2015-07-23 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 GAB 3-AMINOBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.38 Å R-free 0.195
5CT0 Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound Deposited 2015-07-23 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 2–329（328 aa） Fragment：UNP residues 2-329
Mutation：R21S ACT ACETATE ION × 2 54P 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 2.01 Å R-free 0.220
5CT0 Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound Deposited 2015-07-23 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 2–329（328 aa） Fragment：UNP residues 2-329
Mutation：R21S 54P 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 2.01 Å R-free 0.220
5CTP Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound Deposited 2015-07-24 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 1 54R N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 2.03 Å R-free 0.199
5CTP Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound Deposited 2015-07-24 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 3 54R N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 2.03 Å R-free 0.199
5CU0 Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound Deposited 2015-07-24 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S 54R N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide × 2 54G 2-hydroxy-5-methylbenzoic acid × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 2.18 Å R-free 0.236
5CU0 Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound Deposited 2015-07-24 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S 54R N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide × 2 54G 2-hydroxy-5-methylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 2.18 Å R-free 0.236
5CU2 Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoat bound Deposited 2015-07-24 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S 551 methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate × 3 54G 2-hydroxy-5-methylbenzoic acid × 1 PO4 PHOSPHATE ION × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.71 Å R-free 0.204
5CU2 Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoat bound Deposited 2015-07-24 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S 551 methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate × 2 54G 2-hydroxy-5-methylbenzoic acid × 1 PO4 PHOSPHATE ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.71 Å R-free 0.204
5CU3 Crystal structure of CK2alpha bound to CAM4066 Deposited 2015-07-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：UNP residues 2-329
Chain B 2–329（328 aa） Fragment：UNP residues 2-329
Mutation：R21S Mutation：R21S ACT ACETATE ION × 5 54S N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide × 2 DMS DIMETHYL SULFOXIDE × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.79 Å R-free 0.202
5CU4 Crystal structure of CK2alpha bound to CAM4066 Deposited 2015-07-24 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 2–329（328 aa） Fragment：UNP residues 2-239
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 3 54S N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.56 Å R-free 0.195
5CU6 Crystal Structure of CK2alpha Deposited 2015-07-24 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.36 Å R-free 0.209
5CVF Crystal Structure of CK2alpha with Compound 5 bound Deposited 2015-07-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A 54Z 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.63 Å R-free 0.209
5CVG Crystal Structure of CK2alpha with a novel closed conformation of the aD loop Deposited 2015-07-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSG
Mutation：R21S ACT ACETATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；92mM Mes pH 6.5, 33% glycerol ethoxylate, 750mM ammonium acetate
Resolution 1.25 Å R-free 0.170
5CVH Crystal Structure of CK2alpha Deposited 2015-07-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ADP ADENOSINE-5'-DIPHOSPHATE × 1 IHP INOSITOL HEXAKISPHOSPHATE × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.85 Å R-free 0.220
5CVH Crystal Structure of CK2alpha Deposited 2015-07-26 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ADP ADENOSINE-5'-DIPHOSPHATE × 1 IHP INOSITOL HEXAKISPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.85 Å R-free 0.220
5CX9 Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoate bound Deposited 2015-07-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：UNP residues 2-329
Mutation：R21S ACT ACETATE ION × 4 551 methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate × 3 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.73 Å R-free 0.198
5CX9 Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoate bound Deposited 2015-07-28 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 2–329（328 aa） Fragment：UNP residues 2-329
Mutation：R21S ACT ACETATE ION × 2 551 methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.73 Å R-free 0.198
5H8B Crystal structure of CK2 with compound 2 Deposited 2015-12-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–333（333 aa） Fragment：UNP residues 1-333
Not recorded SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 9 5Y2 ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5
Resolution 2.55 Å R-free 0.216
5H8B Crystal structure of CK2 with compound 2 Deposited 2015-12-23 Different construct 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 1–333（333 aa） Fragment：UNP residues 1-333
Not recorded SO4 SULFATE ION × 5 EDO 1,2-ETHANEDIOL × 14 5Y2 ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5
Resolution 2.55 Å R-free 0.216
5H8E Crystal structure of CK2 with compound 7h Deposited 2015-12-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–333（333 aa） Fragment：UNP residues 1-333
Not recorded SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 14 5Y3 ~{N}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5
Resolution 2.15 Å R-free 0.196
5H8E Crystal structure of CK2 with compound 7h Deposited 2015-12-23 Different construct 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 1–333（333 aa） Fragment：UNP residues 1-333
Not recorded SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 15 5Y3 ~{N}-[2-[2-azanylethyl(methyl)amino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5
Resolution 2.15 Å R-free 0.196
5H8G Crystal structure of CK2 with compound 7b Deposited 2015-12-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–333（333 aa） Fragment：UNP residues 1-333
Not recorded CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 18 5Y4 ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES, pH 6.5
Resolution 2.00 Å R-free 0.198
5KU8 Crystal structure of CK2 Deposited 2016-07-13 Different construct 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 2–332（331 aa） Fragment：UNP residues 2-332
Not recorded SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 16 6XK ~{N}-[2-[(1~{S},2~{S})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES
Resolution 2.22 Å R-free 0.216
5KU8 Crystal structure of CK2 Deposited 2016-07-13 Different construct 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 2–332（331 aa） Fragment：UNP residues 2-332
Not recorded SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 11 6XK ~{N}-[2-[(1~{S},2~{S})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES
Resolution 2.22 Å R-free 0.216
5KWH Crystal structure of CK2 Deposited 2016-07-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–333（333 aa）
Not recorded SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 14 6XT ~{N}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES
Resolution 2.12 Å R-free 0.208
5KWH Crystal structure of CK2 Deposited 2016-07-18 Different construct 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 1–333（333 aa）
Not recorded SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 10 6XT ~{N}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES
Resolution 2.12 Å R-free 0.208
5KWH Crystal structure of CK2 Deposited 2016-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–333（333 aa）
Chain B 1–333（333 aa）
Not recorded SO4 SULFATE ION × 13 EDO 1,2-ETHANEDIOL × 24 6XT ~{N}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES
Resolution 2.12 Å R-free 0.208
5M44 Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under high-salt conditions Deposited 2016-10-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded 7EY 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid × 1 CL CHLORIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；Protein stock solution: 6 mg/ml CK2alpha1-335 in 0.5 M NaCl, 25 mM Tris/HCl, pH 8.5; Inhibitor stock solution: 10 mM inhibitor in DMSO; Protein/inhibitor complex solution: 90 microliter protein stock solution + 10 microliter inhibitor stock solution; Reservoir solution: 4.2 M NaCl, 0.1 M sodium citrate, pH 5.0; Drop solution before equlibration: 0.5 microliter protein/inhibitor complex solution + 0.5 microliter reservoir solution
Resolution 2.71 Å R-free 0.259
5M4C Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under low-salt conditions Deposited 2016-10-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded 7EY 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PROTEIN STOCK SOLUTION: 6 MG/M CK2ALPHA1-335 IN 0.5 M NACL, 25 MM TRIS/HCL, PH 8.5; INHIBITOR STOCK SOLUTION: 10 MM INHIBITOR IN DMSO; PROTEIN/INHIBITOR COMPLEX SOLUTION: 90 MICROLITER PROTEIN STOCK SOLUTION + 10 MICROLITER INHIBITOR STOCK SOLUTION; RESERVOIR SOLUTION: 24 % (w/v) PEG8000, 0.2 M KCl; DROP SOLUTION BEFORE EQULIBRATION: 0.3 MICROLITER PROTEIN/INHIBITOR COMPLEX SOLUTION + 0.3 MICROLITER RESERVOIR SOLUTION
Resolution 1.94 Å R-free 0.197
5M4F Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under low-salt conditions Deposited 2016-10-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded 7FC 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PROTEIN STOCK SOLUTION: 6 MG/ML CK2ALPHA1-335 IN 0.5 M NACL, 25 MM TRIS/HCL, PH 8.5; INHIBITOR STOCK SOLUTION: 10 MM INHIBITOR IN DMSO; PROTEIN/INHIBITOR COMPLEX SOLUTION: 90 MICROLITER PROTEIN STOCK SOLUTION + 10 MICROLITER INHIBITOR STOCK SOLUTION; RESERVOIR SOLUTION: 24 % PEG3350, 0.2 M KCl; DROP SOLUTION BEFORE EQULIBRATION: 0.5 MICROLITER PROTEIN/INHIBITOR COMPLEX SOLUTION + 0.5 MICROLITER RESERVOIR SOLUTION
Resolution 1.52 Å R-free 0.183
5M4I Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under high-salt conditions Deposited 2016-10-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded 7FC 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid × 1 CL CHLORIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PROTEIN STOCK SOLUTION: 6 MG/ML CK2ALPHA1-335 IN 0.5 M NACL, 25 MM TRIS/HCL, PH 8.5; INHIBITOR STOCK SOLUTION: 10 MM INHIBITOR IN DMSO; PROTEIN/INHIBITOR COMPLEX SOLUTION: 90 MICROLITER PROTEIN STOCK SOLUTION + 10 MICROLITER INHIBITOR STOCK SOLUTION; RESERVOIR SOLUTION: 4.3 M NACL, 0.1 M SODIUM CITRATE, PH 5.2; DROP SOLUTION BEFORE EQULIBRATION: 0.5 MICROLITER PROTEIN/INHIBITOR COMPLEX SOLUTION + 0.5 MICROLITER RESERVOIR SOLUTION
Resolution 2.22 Å R-free 0.228
5MMF Crystal Structure of CK2alpha with Compound 7 bound Deposited 2016-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S JMB (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium × 1 ACT ACETATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.99 Å R-free 0.218
5MMF Crystal Structure of CK2alpha with Compound 7 bound Deposited 2016-12-09 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.99 Å R-free 0.218
5MMR Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound Deposited 2016-12-12 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S H83 ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine × 2 ACT ACETATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.00 Å R-free 0.226
5MMR Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound Deposited 2016-12-12 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S H83 ~{N}'-[(3-chloranyl-4-phenyl-phenyl)methyl]butane-1,4-diamine × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.00 Å R-free 0.226
5MO5 Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-13 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 2 4IH ~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide × 1 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.04 Å R-free 0.213
5MO5 Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-13 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.04 Å R-free 0.213
5MO6 Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-13 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 B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.82 Å R-free 0.231
5MO6 Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-13 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 A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S KXZ 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid × 1 ACT ACETATE ION × 2 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.82 Å R-free 0.231
5MO7 Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-13 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S PO4 PHOSPHATE ION × 2 YRA 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.15 Å R-free 0.224
5MO7 Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-13 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.15 Å R-free 0.224
5MO8 Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-13 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 3 C98 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.82 Å R-free 0.219
5MO8 Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-13 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S C98 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.82 Å R-free 0.219
5MOD Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.08 Å R-free 0.224
5MOD Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-14 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 A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 3 86L (3-chloranyl-4-propan-2-yloxy-phenyl)methanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.08 Å R-free 0.224
5MOE Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 IHP INOSITOL HEXAKISPHOSPHATE × 1 ACT ACETATE ION × 4 OQC [3-chloranyl-4-(furan-3-yl)phenyl]methanamine × 3 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.89 Å R-free 0.208
5MOE Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Deposited 2016-12-14 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 IHP INOSITOL HEXAKISPHOSPHATE × 1 ACT ACETATE ION × 3 OQC [3-chloranyl-4-(furan-3-yl)phenyl]methanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.89 Å R-free 0.208
5MOH Crystal structure of CK2alpha with ZT0583 bound. Deposited 2016-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A YTX 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.38 Å R-free 0.203
5MOT Crystal structure of CK2alpha with ZT0627 bound Deposited 2016-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A HBD 4-HYDROXYBENZAMIDE × 2 ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 2.09 Å R-free 0.227
5MOV Crystal structure of Ck2alpha with ZT0633 bound Deposited 2016-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–327（325 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A HC4 4'-HYDROXYCINNAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 2.20 Å R-free 0.269
5MOW Crystal Structure of CK2alpha with ZT0432 bound Deposited 2016-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S BR9 5-bromopyridine-2,3-diamine × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.86 Å R-free 0.204
5MOW Crystal Structure of CK2alpha with ZT0432 bound Deposited 2016-12-14 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.86 Å R-free 0.204
5MP8 Crystal Structure of CK2alpha with ZT0432 bound Deposited 2016-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S PO4 PHOSPHATE ION × 3 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ACT ACETATE ION × 1 RKN (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.92 Å R-free 0.224
5MP8 Crystal Structure of CK2alpha with ZT0432 bound Deposited 2016-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ACT ACETATE ION × 2 RKN (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.92 Å R-free 0.224
5MPJ 1-(2-chloro-[1,1'-biphenyl]-4-yl)-N-methylethanamine Deposited 2016-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ADP ADENOSINE-5'-DIPHOSPHATE × 1 IHP INOSITOL HEXAKISPHOSPHATE × 1 J2P (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.14 Å R-free 0.241
5MPJ 1-(2-chloro-[1,1'-biphenyl]-4-yl)-N-methylethanamine Deposited 2016-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.14 Å R-free 0.241
5N1V Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand Deposited 2017-02-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa）
Not recorded SO4 SULFATE ION × 5 EDO 1,2-ETHANEDIOL × 7 8GQ pyrazolo-pyrimidine macrocycle × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；unknown
Resolution 2.52 Å R-free 0.229
5N1V Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand Deposited 2017-02-06 Different construct 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 1–336（336 aa）
Not recorded SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 9 8GQ pyrazolo-pyrimidine macrocycle × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；unknown
Resolution 2.52 Å R-free 0.229
5N9K Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF107 (5) Deposited 2017-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Mutation：Deletion of C-terminal residues 336-391 8QK 1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol × 1 ACT ACETATE ION × 6 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；Prior to the crystallization the inhibitor was solubilized in 100 % DMSO in a concentration of 10 mM. Then, this inhibitor stock solution was mixed in a Ratio of 1:10 with human CK2alpha (construct 1-335; solved with a Protein concentration of 8-10 mg/ml in 500 mM sodium chloride, 25 mM Tris/HCl pH 8.5). After a short time of incubation this mixture were mixed with reservoir solution [32 % (w/v) PEG4000, 0.2 M ammonium acetate, 0.1 M citrate pH 5.6] in a ratio of 2.5:1. 3.5 microliter of this final mixture was then equilibrated against the reservoir solution. The crystal growth was induced by seeding with 150 nanoliter seed suspension after an equilibration time of two days.
Resolution 1.64 Å R-free 0.184
5N9L Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b) Deposited 2017-02-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded 8QH (4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one × 1 ACT ACETATE ION × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；Prior to the crystallization TF was solubilized in 100 % DMSO in a concentration of 10 mM. TF was mixed with human CK2alpha (construct 1-335; 8-10 mg/ml in 500 mM sodium chloride, 25 mM Tris/HCl pH 8.5) in a ratio of 1:5. After a short time of incubation this mixture was mixed with reservoir solution [32 % (w/v) PEG4000, 0.2 M ammonium acetate, 0.1 M citrate pH 5.6] in a ratio of 5:2. 3.5 microliter of the resulting mixture was then equilibrated against the reservoir solution. The crystal growth was induced by seeding with 150 nanoliter seed suspension after an equilibration time of two days.
Resolution 1.79 Å R-free 0.199
5N9N Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF85 (4a) Deposited 2017-02-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa） Fragment：UNP residues 1-335
Not recorded KC5 (4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one × 1 ACT ACETATE ION × 5 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；Prior to the crystallization the Inhibitor TF85 was solubilized in 100 % DMSO in a concentration of 10 mM. This TF85 stock solution was mixed with human CK2alpha (construct 1-335; Protein concentration 8-10 mg/ml in 500 mM sodium chloride, 25 mM Tris/HCl pH 8.5) in a ratio of 1:10. After a short time of incubation, this mixture was mixed with reservoir solution [32 % (w/v) PEG4000, 0.2 M ammonium acetate, 0.1 M citrate pH 5.6] in a ratio of 5:2. 3.5 microliter of these mixtures were then equilibrated against the reservoir solution. The crystal growth was induced by seeding with 150 nanoliter seeding suspension after an equilibration time of two days.
Resolution 1.84 Å R-free 0.201
5NQC CK2alpha in complex with NMR154 Deposited 2017-04-19 Different construct 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 2–335（334 aa）
Not recorded 1KP (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；0.1 M sodium tartrate pH 5.6, 2.2 M (NH4)2SO4, 0.2 M NaSCN, 5 mM TCEP, 5 mM NMR154, 5% (v/v) DMSO
Resolution 2.00 Å R-free 0.247
5OMY HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P Deposited 2017-08-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded 9YE 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione × 1 CL CHLORIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；90 MIKROLITER ENZYME STOCK SOLUTION (6 MG/ML IN 500 MM NACL, 25 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 10 MIKROLITER 4P STOCK SOLUTION (10 MM 4P IN DMSO). THIS MIXTURE WAS INCUBATED FOR 30 MIN AT ROOM TEMPERATURE. THE RESERVOIR SOLUTION OF THE CRYSTALLIZATION EXPERIMENT WAS 4.2 M NACL, 0.1 M CITRIC ACID, PH 5.5. PRIOR TO EQUILIBRATION THE CRYSTALLIZATION DROP WAS COMPOSED OF 1 MIKROLITER RESERVOIR SOLUTION PLUS 1 MIKROLITER ENZYME/4P MIXTURE., VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K
Resolution 1.95 Å R-free 0.221
5ONI LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P Deposited 2017-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Mutation：C-terminal deletion from Ser336 to Gln391 9YE 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione × 1 SO4 SULFATE ION × 5 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；90 MICROLITER ENZYME STOCK SOLUTION (6 MG/ML IN 500 MM NACL, 25 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 10 MIKROLITER 4P STOCK SOLUTION (10 MM 4P IN DMSO). THIS MIXTURE WAS INCUBATED FOR 30 MIN AT ROOM TEMPERATURE. THE RESERVOIR SOLUTION OF THE CRYSTALLIZATION EXPERIMENT WAS 25 % (W/V) PEG5000, 0.2 M AMMONIUM SULPHATE, 0.1 M MES BUFFER, PH 6.5. PRIOR TO EQUILIBRATION THE CRYSTALLIZATION DROP WAS COMPOSED OF 1 MICROLITER RESERVOIR SOLUTION PLUS 1 MICROLITER ENZYME/4P MIXTURE., VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K
Resolution 2.00 Å R-free 0.204
5ONI LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P Deposited 2017-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–391（391 aa）
Mutation：C-terminal deletion from Ser336 to Gln391 9YE 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione × 1 SO4 SULFATE ION × 5 CL CHLORIDE ION × 2 BU1 1,4-BUTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；90 MICROLITER ENZYME STOCK SOLUTION (6 MG/ML IN 500 MM NACL, 25 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 10 MIKROLITER 4P STOCK SOLUTION (10 MM 4P IN DMSO). THIS MIXTURE WAS INCUBATED FOR 30 MIN AT ROOM TEMPERATURE. THE RESERVOIR SOLUTION OF THE CRYSTALLIZATION EXPERIMENT WAS 25 % (W/V) PEG5000, 0.2 M AMMONIUM SULPHATE, 0.1 M MES BUFFER, PH 6.5. PRIOR TO EQUILIBRATION THE CRYSTALLIZATION DROP WAS COMPOSED OF 1 MICROLITER RESERVOIR SOLUTION PLUS 1 MICROLITER ENZYME/4P MIXTURE., VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K
Resolution 2.00 Å R-free 0.204
5OQU The crystal structure of CK2alpha in complex with compound 5 Deposited 2017-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ADP ADENOSINE-5'-DIPHOSPHATE × 2 ACT ACETATE ION × 5 A4B [3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine × 1 MG MAGNESIUM ION × 2 IHP INOSITOL HEXAKISPHOSPHATE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.32 Å R-free 0.244
5ORH The crystal structure of CK2alpha in complex with compound 2 Deposited 2017-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S A4N [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.75 Å R-free 0.227
5ORH The crystal structure of CK2alpha in complex with compound 2 Deposited 2017-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S A4N [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine × 2 ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.75 Å R-free 0.227
5ORJ The crystal structure of CK2alpha in complex with compound 3 Deposited 2017-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S MG MAGNESIUM ION × 5 ADP ADENOSINE-5'-DIPHOSPHATE × 2 A4Q [3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine × 3 IHP INOSITOL HEXAKISPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.99 Å R-free 0.221
5ORK The crystal structure of CK2alpha in complex with compound 6 Deposited 2017-08-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 A4T [3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine × 1 CL CHLORIDE ION × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.14 Å R-free 0.243
5OS7 The crystal structure of CK2alpha in complex with compound 4 Deposited 2017-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 1 A8Q [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.66 Å R-free 0.247
5OS7 The crystal structure of CK2alpha in complex with compound 4 Deposited 2017-08-17 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 A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 3 A8Q [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.66 Å R-free 0.247
5OS8 The crystal structure of CK2alpha in complex with compound 11 Deposited 2017-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 J27 [3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium × 3 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.55 Å R-free 0.201
5OSL The crystal structure of CK2alpha in complex with compound 7 Deposited 2017-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 A9K 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.95 Å R-free 0.211
5OSP The crystal structure of CK2alpha in complex with an analogue of compound 1 Deposited 2017-08-18 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ACT ACETATE ION × 4 A9W [3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.91 Å R-free 0.213
5OSR The crystal structure of CK2alpha in complex with an analogue of compound 1 Deposited 2017-08-18 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 AFK [3-chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.57 Å R-free 0.209
5OSU The crystal structure of CK2alpha in complex with analogues of compound 1 Deposited 2017-08-18 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 1 AFW [3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.63 Å R-free 0.210
5OSZ The crystal structure of CK2alpha in complex with compound 23 Deposited 2017-08-18 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 AHK 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.00 Å R-free 0.241
5OT5 The crystal structure of CK2alpha in complex with compound 24 Deposited 2017-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ACT ACETATE ION × 6 AWK ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine × 2 PO4 PHOSPHATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.63 Å R-free 0.239
5OT6 The crystal structure of CK2alpha in complex with compound 19 Deposited 2017-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 2 AJK (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium × 1 PO4 PHOSPHATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.94 Å R-free 0.241
5OT6 The crystal structure of CK2alpha in complex with compound 19 Deposited 2017-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.94 Å R-free 0.241
5OTD The crystal structure of CK2alpha in complex with compound 25 Deposited 2017-08-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ACT ACETATE ION × 4 AOW N-{[(1M)-2-chloro-2'-ethyl[1,1'-biphenyl]-4-yl]methyl}-2-(7-nitro-1H-1,3-benzimidazol-2-yl)ethan-1-amine × 2 PO4 PHOSPHATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.57 Å R-free 0.261
5OTH The crystal structure of CK2alpha in complex with compound 26 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ACT ACETATE ION × 4 PO4 PHOSPHATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 AQ8 ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.69 Å R-free 0.265
5OTI The crystal structure of CK2alpha in complex with compound 27 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 3 AOK ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.59 Å R-free 0.232
5OTL The crystal structure of CK2alpha in complex with compound 29 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ACT ACETATE ION × 4 AQT ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine × 2 PO4 PHOSPHATE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.57 Å R-free 0.244
5OTO The crystal structure of CK2alpha in complex with compound 30 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ACT ACETATE ION × 7 AQW 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine × 2 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.51 Å R-free 0.253
5OTP The crystal structure of CK2alpha in complex with an analogue of compound 22 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ACT ACETATE ION × 6 DMS DIMETHYL SULFOXIDE × 1 AT8 2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.57 Å R-free 0.240
5OTQ The crystal structure of CK2alpha in complex with compound 33 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 AUH 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.38 Å R-free 0.198
5OTR The crystal structure of CK2alpha in complex with compound 14 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 AU8 [3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium × 3 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.52 Å R-free 0.202
5OTS The crystal structure of CK2alpha in complex with an analogue of compound 22 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A AU2 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.90 Å R-free 0.245
5OTY The crystal structure of CK2alpha in complex with CAM4712 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 3 TFA trifluoroacetic acid × 1 AUW 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.48 Å R-free 0.192
5OTZ The crystal structure of CK2alpha in complex with compound 1 Deposited 2017-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 TFA trifluoroacetic acid × 1 AUT [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.46 Å R-free 0.211
5OUE The crystal structure of CK2alpha in complex with compound 20 Deposited 2017-08-23 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 1 AW5 3-methyl-5-oxidanyl-benzoic acid × 1 AVZ (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.01 Å R-free 0.220
5OUE The crystal structure of CK2alpha in complex with compound 20 Deposited 2017-08-23 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 1 AVZ (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.01 Å R-free 0.220
5OUL The crystal structure of CK2alpha in complex with compound 9 Deposited 2017-08-24 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 AWE [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine × 6 TFA trifluoroacetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.34 Å R-free 0.222
5OUM The crystal structure of CK2alpha in complex with compound 21 Deposited 2017-08-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ACT ACETATE ION × 3 AVK ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 2.05 Å R-free 0.248
5OUU The crystal structure of CK2alpha in complex with compound 22 Deposited 2017-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Chain B 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S Mutation：R21S ACT ACETATE ION × 3 AWN 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine × 2 PO4 PHOSPHATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.81 Å R-free 0.203
5OWH High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol Deposited 2017-09-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded B0K 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF A CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 4.4 M sodium chloride, 0.1 M SODIUM Acetate, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST MICROLITER OF THE RESERVOIR SOLUTION.
Resolution 2.30 Å R-free 0.263
5OWL Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol Deposited 2017-09-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded B0K 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF THE CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 25 % PEG3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS BUFFER, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST THE RESERVOIR SOLUTION.
Resolution 2.23 Å R-free 0.249
5OWL Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol Deposited 2017-09-01 Different construct 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 1–335（335 aa）
Not recorded B0K 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF THE CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 25 % PEG3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS BUFFER, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST THE RESERVOIR SOLUTION.
Resolution 2.23 Å R-free 0.249
5OYF The crystal structure of CK2alpha in complex with compound 31 Deposited 2017-09-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A B4Q 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.54 Å R-free 0.216
5T1H Crystal structure of CK2 Deposited 2016-08-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–333（333 aa）
Not recorded SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 12 75E 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES
Resolution 2.11 Å R-free 0.203
5T1H Crystal structure of CK2 Deposited 2016-08-19 Different construct 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 1–333（333 aa）
Not recorded SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 14 75E 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES
Resolution 2.11 Å R-free 0.203
5T1H Crystal structure of CK2 Deposited 2016-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–333（333 aa）
Chain B 1–333（333 aa）
Not recorded SO4 SULFATE ION × 13 EDO 1,2-ETHANEDIOL × 26 75E 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES
Resolution 2.11 Å R-free 0.203
5T1H Crystal structure of CK2 Deposited 2016-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–333（333 aa）
Chain B 1–333（333 aa）
Not recorded SO4 SULFATE ION × 13 EDO 1,2-ETHANEDIOL × 26 75E 7-(cyclopropylamino)-5-[3-(6-oxo-1,6-dihydropyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；22-26% PEG 6K, 200 mM ammonium sulfate, 100 mM MES
Resolution 2.11 Å R-free 0.203
5ZN0 Joint X-ray/neutron structure of protein kinase ck2 alpha subunit Deposited 2018-04-07 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 1–329（329 aa）
Mutation：C147A,C220A SO4 SULFATE ION × 2 Experimental method not declared
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0.1M Tris-HCl, 0.85M ammonium sulfate, 5% acetonitrile, 2mM DTT
Resolution not provided
5ZN1 X-ray structure of protein kinase ck2 alpha subunit in D2O Deposited 2018-04-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–329（329 aa）
Mutation：C147A,C220A SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0.1M Tris-HCl, 1.2M ammonium sulfate, 5% acetonitrile, 2mM DTT
Resolution 1.05 Å R-free 0.180
5ZN2 X-ray structure of protein kinase ck2 alpha subunit H148A mutant Deposited 2018-04-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–329（329 aa）
Mutation：C147A,H148A,C220A SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris-HCl, 1.2M ammonium sulfate, 5% acetonitrile, 2mM DTT
Resolution 1.20 Å R-free 0.181
5ZN3 X-ray structure of protein kinase ck2 alpha subunit H148S mutant Deposited 2018-04-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–329（329 aa）
Mutation：C147A,H148S,C220A SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris-HCl, 1.2M ammonium sulfate, 5% acetonitrile, 2mM DTT
Resolution 1.50 Å R-free 0.230
5ZN4 X-ray structure of protein kinase ck2 alpha subunit H148N mutant Deposited 2018-04-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–329（329 aa）
Mutation：C147A,H148N,C220A SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris-HCl, 1.2M ammonium sulfate, 5% acetonitrile, 2mM DTT
Resolution 1.65 Å R-free 0.239
5ZN5 X-ray structure of protein kinase ck2 alpha subunit H148A mutant Deposited 2018-04-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–329（329 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris-HCl, 1.2M ammonium sulfate, 5% acetonitrile, 2mM DTT
Resolution 1.70 Å R-free 0.222
6A1C Crystal structure of the CK2a1-go289 complex Deposited 2018-06-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded 9NX 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol × 1 NA SODIUM ION × 1 EDO 1,2-ETHANEDIOL × 26 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；ethyleneglycol
Resolution 1.68 Å R-free 0.196
6EHK The crystal structure of CK2alpha in complex with CAM4712 and compound 37 Deposited 2017-09-13 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 AUW 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine × 1 54G 2-hydroxy-5-methylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.40 Å R-free 0.194
6EHU The crystal structure of CK2alpha in complex with compound 32 Deposited 2017-09-15 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A B5E 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine × 3 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.95 Å R-free 0.218
6EHU The crystal structure of CK2alpha in complex with compound 32 Deposited 2017-09-15 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A B5E 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine × 3 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.95 Å R-free 0.218
6EII The crystal structure of CK2alpha in complex with compound 18 Deposited 2017-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 2 PO4 PHOSPHATE ION × 2 B5W (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.94 Å R-free 0.234
6EII The crystal structure of CK2alpha in complex with compound 18 Deposited 2017-09-19 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 2 PO4 PHOSPHATE ION × 2 B5W (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.94 Å R-free 0.234
6FVF The Structure of CK2alpha with CCh503 bound Deposited 2018-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A 503 [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.47 Å R-free 0.222
6FVG The Structure of CK2alpha with CCh507 bound Deposited 2018-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A E8K [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.60 Å R-free 0.229
6GIH Crystal Structure of CK2alpha with CAM187 bound Deposited 2018-05-11 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 2–329（328 aa） Fragment：residues 2-329
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 EZN [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.96 Å R-free 0.215
6GMD The crystal structure of CK2alpha in complex with compound 3 Deposited 2018-05-25 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 1 A8Q [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.66 Å R-free 0.247
6GMD The crystal structure of CK2alpha in complex with compound 3 Deposited 2018-05-25 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S ACT ACETATE ION × 3 A8Q [3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.66 Å R-free 0.247
6HBN HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 Deposited 2018-08-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded CL CHLORIDE ION × 5 FXB 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293.15 K；90 MIKROLITER ENZYME STOCK SOLUTION (6 MG/ML IN 500 MM NACL, 25 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 10 MIKROLITER INHIBITOR STOCK SOLUTION (10 MM INHIBITOR IN DMSO). THIS MIXTURE WAS INCUBATED FOR 30 MIN AT ROOM TEMPERATURE. THE RESERVOIR SOLUTION OF THE CRYSTALLIZATION EXPERIMENT WAS 4.4 M NACL, 0.1 M CITRIC ACID, PH 5.5. PRIOR TO EQUILIBRATION THE CRYSTALLIZATION DROP WAS COMPOSED OF 1 MIKROLITER RESERVOIR SOLUTION PLUS 1 MIKROLITER ENZYME/INHIBITOR MIXTURE.,VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K
Resolution 1.59 Å R-free 0.217
6HBN HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 Deposited 2018-08-10 Different construct 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 1–335（335 aa）
Not recorded CL CHLORIDE ION × 5 FXB 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293.15 K；90 MIKROLITER ENZYME STOCK SOLUTION (6 MG/ML IN 500 MM NACL, 25 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 10 MIKROLITER INHIBITOR STOCK SOLUTION (10 MM INHIBITOR IN DMSO). THIS MIXTURE WAS INCUBATED FOR 30 MIN AT ROOM TEMPERATURE. THE RESERVOIR SOLUTION OF THE CRYSTALLIZATION EXPERIMENT WAS 4.4 M NACL, 0.1 M CITRIC ACID, PH 5.5. PRIOR TO EQUILIBRATION THE CRYSTALLIZATION DROP WAS COMPOSED OF 1 MIKROLITER RESERVOIR SOLUTION PLUS 1 MIKROLITER ENZYME/INHIBITOR MIXTURE.,VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K
Resolution 1.59 Å R-free 0.217
6HME LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA; CSNK2A1 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 Deposited 2018-09-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 CL CHLORIDE ION × 1 SO4 SULFATE ION × 5 FXB 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；180 MICROLITERS OF ENZYME SOLUTION (6 MG/ML CK2ALPHA, 0.025 M TRIS/HCL, PH 8.5, 0.5 M NACL) WERE MIXED WITH 20 MICROLITERS OF INHIBITOR STOCK SOLUTION (0.010 M INHIBITOR THN27 IN DMSO). THIS MIXTURE WAS INCUBATED FOR 30 MIN AT ROOM TEMPERATURE. THE RESERVOIR SOLUTION OF THE CRYSTALLIZATION EXPERIMENT WAS 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CACODYLATE TRIHYDRATE, PH 6.5, 30% (W/V) PEG 8,000. PRIOR TO EQUILIBRATION THE CRYSTALLIZATION DROP WAS COMPOSED OF 10 MICROLITERS RESERVOIR SOLUTION PLUS 20 MICROLITERS ENZYME/INHIBITOR MIXTURE.
Resolution 1.85 Å R-free 0.197
6HME LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA; CSNK2A1 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 Deposited 2018-09-12 Different construct 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 1–335（335 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 5 FXB 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；180 MICROLITERS OF ENZYME SOLUTION (6 MG/ML CK2ALPHA, 0.025 M TRIS/HCL, PH 8.5, 0.5 M NACL) WERE MIXED WITH 20 MICROLITERS OF INHIBITOR STOCK SOLUTION (0.010 M INHIBITOR THN27 IN DMSO). THIS MIXTURE WAS INCUBATED FOR 30 MIN AT ROOM TEMPERATURE. THE RESERVOIR SOLUTION OF THE CRYSTALLIZATION EXPERIMENT WAS 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CACODYLATE TRIHYDRATE, PH 6.5, 30% (W/V) PEG 8,000. PRIOR TO EQUILIBRATION THE CRYSTALLIZATION DROP WAS COMPOSED OF 10 MICROLITERS RESERVOIR SOLUTION PLUS 20 MICROLITERS ENZYME/INHIBITOR MIXTURE.
Resolution 1.85 Å R-free 0.197
6HNW Human protein kinase CK2 alpha in complex with coumestrol Deposited 2018-09-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded CUE Coumestrol × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 2.00 Å R-free 0.225
6HNY Human protein kinase CK2 alpha in complex with boldine Deposited 2018-09-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded GHT Boldine × 1 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.65 Å R-free 0.206
6HOP Human protein kinase CK2 alpha in complex with curcumin degradation products Deposited 2018-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 1 FER 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID × 1 V55 4-hydroxy-3-methoxybenzaldehyde × 1 GJK (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one × 1 CIY (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.55 Å R-free 0.189
6HOQ Human protein kinase CK2 alpha in complex with ferulic acid Deposited 2018-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded SO4 SULFATE ION × 3 FER 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.55 Å R-free 0.185
6HOR Human protein kinase CK2 alpha in complex with feruloylmethane Deposited 2018-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded GJK (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one × 1 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.80 Å R-free 0.199
6HOT Human protein kinase CK2 alpha in complex with ferulic aldehyde Deposited 2018-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded SO4 SULFATE ION × 3 CIY (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.50 Å R-free 0.196
6HOU Human protein kinase CK2 alpha in complex with vanillin Deposited 2018-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded SO4 SULFATE ION × 2 V55 4-hydroxy-3-methoxybenzaldehyde × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.80 Å R-free 0.208
6JWA Crystal structure of CK2a1 with 5-iodotubercidin Deposited 2019-04-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded 5ID (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL × 1 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；ethylene glycol
Resolution 1.78 Å R-free 0.225
6L1Z Crystal structure of CK2a1 with hematein Deposited 2019-10-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded E3U (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Ethylene Glycol
Resolution 1.91 Å R-free 0.216
6L21 Crystal structure of CK2a1 H160A with hematein Deposited 2019-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Mutation：H160Y E3U (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Ethylene glycol
Resolution 2.05 Å R-free 0.225
6L22 Crystal structure of CK2a1 H115Y with hematein Deposited 2019-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Mutation：H115Y E3U (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；25% Ethylene Glycol
Resolution 2.12 Å R-free 0.243
6L23 Crystal structure of CK2a1 V116I with hematein Deposited 2019-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Mutation：V116I EDO 1,2-ETHANEDIOL × 9 E3U (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Ethylene glycol
Resolution 1.97 Å R-free 0.229
6L24 Crystal structure of CK2a1 H115Y/V116I with hematein Deposited 2019-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Mutation：H115Y, V116I E3U (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Ethylene glycol
Resolution 2.40 Å R-free 0.263
6Q38 The Crystal structure of CK2a bound to P1-C4 Deposited 2018-12-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 3–329（327 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S BEZ BENZOIC ACID × 1 A1H27 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M HEPES 7.5 pH, 10 %w/v PEG 8K, 8 %v/v Ethelyene glycol
Resolution 1.74 Å R-free 0.234
6Q4Q The Crystal structure of CK2a bound to P2-C4 Deposited 2018-12-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 3–329（327 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S GOL GLYCEROL × 1 BEZ BENZOIC ACID × 1 ACT ACETATE ION × 1 A1H27 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.16 M Calcium Acetate pH 6.5, 0.08 M Sodium Cacodylate, 14.4% PEG 8K, 20% Glycerol
Resolution 1.45 Å R-free 0.215
6Q4Q The Crystal structure of CK2a bound to P2-C4 Deposited 2018-12-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 3–329（327 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S GOL GLYCEROL × 2 BEZ BENZOIC ACID × 1 ACT ACETATE ION × 1 A1H27 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.16 M Calcium Acetate pH 6.5, 0.08 M Sodium Cacodylate, 14.4% PEG 8K, 20% Glycerol
Resolution 1.45 Å R-free 0.215
6QY7 Human CSNK2A1 bound to ERB-041 Deposited 2019-03-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded 041 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；10% PEG6000, 2M sodium chloride
Resolution 2.10 Å R-free 0.235
6QY7 Human CSNK2A1 bound to ERB-041 Deposited 2019-03-08 Different construct 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 1–337（337 aa）
Not recorded 041 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；10% PEG6000, 2M sodium chloride
Resolution 2.10 Å R-free 0.235
6RB1 Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1 Deposited 2019-04-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 2 JWQ (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.50 Å R-free 0.190
6RCB Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 14 Deposited 2019-04-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded JYZ (~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 2.05 Å R-free 0.226
6RCM Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 Deposited 2019-04-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded EDO 1,2-ETHANEDIOL × 1 K0N (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.70 Å R-free 0.201
6RFE Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4 Deposited 2019-04-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded EDO 1,2-ETHANEDIOL × 2 K0Z (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.54 Å R-free 0.198
6RFF Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 Deposited 2019-04-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded K1B (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide × 1 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.80 Å R-free 0.199
6SPW Structure of protein kinase CK2 catalytic subunit with the CK2beta-competitive bisubstrate inhibitor ARC3140 Deposited 2019-09-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–391（391 aa）
Not recorded NA SODIUM ION × 1 A0Z 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF THE CK2ALPHA/ARC3140 MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR ARC3140, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 2.5 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 30 % PEG4000, 0.2 M AMMONIUM ACETATE, 0.1 M SODIUM CITRATE, PH 5.6) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST MICROLITER OF THE RESERVOIR SOLUTION.
Resolution 1.60 Å R-free 0.196
6SPX Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502 Deposited 2019-09-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–335（335 aa）
Not recorded 9AB 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1 microliter of the CK2alpha/ARC1502 mixture (composition: 7 mg/ml CK2alpha enzyme, 1 mM ARC1502, 10 % dimethyl sulfoxide, 450 mM NaCl, 25 mM Tris/HCl, pH 8.5) was mixed with 2.5 mikroliter reservoir solution (composition: 30 % PEG4000, 0.2 M ammonium acetate, 0.1 M sodium citrate, pH 5.6) followed by vapour diffusion equilibration against 100 microliter of the reservoir solution.
Resolution 1.99 Å R-free 0.223
6TEI Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the 2-aminothiazole-type inhibitor 17 Deposited 2019-11-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded N4N 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；reservoir composition: 30 % (w/v) PEG8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 6.5; crystallization drop composition before equilibration: 0.01 ml reservoir solution plus 0.02 ml enzyme stock solution (6 mg/ml enzyme, 0.5 M NaCl, 25 mM Tris/HCl, pH 8.5); the 2-aminothiazole-type inhibitor 17 was introduced by extensive soaking
Resolution 1.76 Å R-free 0.204
6TEI Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the 2-aminothiazole-type inhibitor 17 Deposited 2019-11-12 Different construct 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 1–335（335 aa）
Not recorded N4N 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；reservoir composition: 30 % (w/v) PEG8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 6.5; crystallization drop composition before equilibration: 0.01 ml reservoir solution plus 0.02 ml enzyme stock solution (6 mg/ml enzyme, 0.5 M NaCl, 25 mM Tris/HCl, pH 8.5); the 2-aminothiazole-type inhibitor 17 was introduced by extensive soaking
Resolution 1.76 Å R-free 0.204
6TLL HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE (tBBT) Deposited 2019-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded TBS 4,5,6,7-TETRABROMOBENZOTRIAZOLE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 NA SODIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M sodium HEPES/MOPS buffer pH 7.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20000
Resolution 1.88 Å R-free 0.187
6TLO HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6-TRIBROMOBENZOTRIAZOLE Deposited 2019-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded NKB 5,6,7-tris(bromanyl)-1~{H}-benzotriazole × 2 NA SODIUM ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M sodium HEPES/MOPS buffer pH 7.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20000
Resolution 1.69 Å R-free 0.171
6TLP HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE Deposited 2019-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded 7M0 5,6-DIBROMOBENZOTRIAZOLE × 1 FLC CITRATE ANION × 1 FMT FORMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M sodium HEPES/MOPS buffer pH 7.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20000
Resolution 1.93 Å R-free 0.189
6TLR HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE Deposited 2019-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded NKE 4,7-bis(bromanyl)-1~{H}-benzotriazole × 2 NA SODIUM ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M sodium HEPES/MOPS buffer pH 7.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20000
Resolution 1.64 Å R-free 0.178
6TLS HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE Deposited 2019-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded NL2 5,7-bis(bromanyl)-1~{H}-benzotriazole × 2 CL CHLORIDE ION × 5 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M sodium HEPES/MOPS buffer pH 7.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20000
Resolution 1.46 Å R-free 0.173
6TLU HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5-DIBROMOBENZOTRIAZOLE Deposited 2019-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–391（391 aa）
Not recorded NKT 6,7-bis(bromanyl)-1~{H}-benzotriazole × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M sodium HEPES/MOPS buffer pH 7.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20000
Resolution 1.81 Å R-free 0.184
6TLV HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5-BROMOBENZOTRIAZOLE Deposited 2019-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded NKW 6-bromanyl-1~{H}-benzotriazole × 2 CL CHLORIDE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M sodium HEPES/MOPS buffer pH 7.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20000
Resolution 1.67 Å R-free 0.173
6TLW HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4-BROMOBENZOTRIAZOLE Deposited 2019-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded NKZ 7-bromanyl-1~{H}-benzotriazole × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；290 K；0.1 M sodium HEPES/MOPS buffer pH 7.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20000
Resolution 1.73 Å R-free 0.187
6YPG Crystal Structure of CK2alpha with Compound 2 bound to second crystal form Deposited 2020-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa）
Mutation：R21S, K74A, K75A, K76A N5Q 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.51 Å R-free 0.243
6YPH Crystal Structure of CK2alpha with Compound 2 bound Deposited 2020-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa）
Mutation：R21S N5Q 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M HEPES 7.5 pH, 10 %w/v PEG 8K, 8 %v/v Ethelyene glycol
Resolution 1.67 Å R-free 0.275
6YPH Crystal Structure of CK2alpha with Compound 2 bound Deposited 2020-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–329（328 aa）
Mutation：R21S N5Q 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M HEPES 7.5 pH, 10 %w/v PEG 8K, 8 %v/v Ethelyene glycol
Resolution 1.67 Å R-free 0.275
6YPJ Crystal Structure of CK2alpha with Compound 1 bound Deposited 2020-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa）
Mutation：K75A ACT ACETATE ION × 1 P5W 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.64 Å R-free 0.232
6YPK Crystal Structure of CK2alpha with GTP bound Deposited 2020-04-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa）
Mutation：K75A GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.79 Å R-free 0.210
6YPN Crystal Structure of CK2alpha with 2 molecules of ADP bound Deposited 2020-04-16 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–329（329 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 2 ACT ACETATE ION × 1 MG MAGNESIUM ION × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；298 K；20 %v/v PEGSM, 10 %v/v Glycerol, 0.2 M Na Form, 0.1 M Na-Phosphate
Resolution 1.58 Å R-free 0.247
6YUL CK2 alpha bound to Macrocycle Deposited 2020-04-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–391（391 aa）
Not recorded SO4 SULFATE ION × 5 PQ5 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2 M ammonia sulphate, 0.1 MES pH 6.5, 31-35% (v/v) polyethylene glycol PEG 5000 MME 10 mg / mL protein
Resolution 2.40 Å R-free 0.232
6YUL CK2 alpha bound to Macrocycle Deposited 2020-04-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain GGG 1–391（391 aa）
Not recorded SO4 SULFATE ION × 5 PQ5 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2 M ammonia sulphate, 0.1 MES pH 6.5, 31-35% (v/v) polyethylene glycol PEG 5000 MME 10 mg / mL protein
Resolution 2.40 Å R-free 0.232
6YUM CK2 alpha bound to unclosed Macrocycle Deposited 2020-04-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–391（391 aa）
Not recorded SO4 SULFATE ION × 3 PQ8 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5 0.2 ammonia sulphate 30% PEG 5000 MME 10 mg/mL protein
Resolution 2.75 Å R-free 0.284
6YUM CK2 alpha bound to unclosed Macrocycle Deposited 2020-04-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain GGG 1–391（391 aa）
Not recorded SO4 SULFATE ION × 3 PQ8 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5 0.2 ammonia sulphate 30% PEG 5000 MME 10 mg/mL protein
Resolution 2.75 Å R-free 0.284
6YZH Crystal structure of P8C9 bound to CK2alpha Deposited 2020-05-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 3–329（327 aa）
Not recorded MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；298 K；12 %v/v PEGSH, 0.1 M Mg Acet, 0.1 M KCl,0.1 M MES
Resolution 1.19 Å R-free 0.190
6Z19 Crystal structure of P8C9 bound to CK2alpha Deposited 2020-05-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2–329（328 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 1 ACT ACETATE ION × 2 GOL GLYCEROL × 3 MG MAGNESIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 SO4 SULFATE ION × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；25 %v/v PEGSM, 0.2 M (NH4)2SO4, 0.1 M Na Cacod
Resolution 1.47 Å R-free 0.221
6Z83 CK2 alpha bound to chemical probe SGC-CK2-1 Deposited 2020-06-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–337（337 aa）
Not recorded SO4 SULFATE ION × 5 QBE ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide × 1 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.17 Å R-free 0.245
6Z83 CK2 alpha bound to chemical probe SGC-CK2-1 Deposited 2020-06-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 QBE ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide × 1 PEG DI(HYDROXYETHYL)ETHER × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.17 Å R-free 0.245
6Z84 CK2 alpha bound to chemical probe SGC-CK2-1 derivative Deposited 2020-06-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–337（337 aa）
Not recorded SO4 SULFATE ION × 8 QB8 ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.50 Å R-free 0.250
6Z84 CK2 alpha bound to chemical probe SGC-CK2-1 derivative Deposited 2020-06-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 1–337（337 aa）
Not recorded SO4 SULFATE ION × 4 QB8 ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.50 Å R-free 0.250
7A49 Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine Deposited 2020-08-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded QWN 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF THE CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 25 % PEG3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS BUFFER, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST THE RESERVOIR SOLUTION.
Resolution 2.03 Å R-free 0.216
7A49 Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine Deposited 2020-08-19 Different construct 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 1–335（335 aa）
Not recorded QWN 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF THE CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 25 % PEG3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS BUFFER, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST THE RESERVOIR SOLUTION.
Resolution 2.03 Å R-free 0.216
7A4B Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine Deposited 2020-08-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded GOL GLYCEROL × 1 QXW 5,6-dibromo-1H-triazolo[4,5-b]pyridine × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF THE CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 25 % PEG3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS BUFFER, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST THE RESERVOIR SOLUTION.
Resolution 2.06 Å R-free 0.223
7A4B Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine Deposited 2020-08-19 Different construct 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 1–335（335 aa）
Not recorded GOL GLYCEROL × 1 QXW 5,6-dibromo-1H-triazolo[4,5-b]pyridine × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF THE CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 25 % PEG3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS BUFFER, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST THE RESERVOIR SOLUTION.
Resolution 2.06 Å R-free 0.223
7A4C Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine Deposited 2020-08-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded QWW 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF THE CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 25 % PEG3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS BUFFER, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST THE RESERVOIR SOLUTION.
Resolution 2.50 Å R-free 0.232
7A4C Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine Deposited 2020-08-19 Different construct 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 1–335（335 aa）
Not recorded QWW 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF THE CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 7 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 25 % PEG3350, 0.2 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS BUFFER, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST THE RESERVOIR SOLUTION.
Resolution 2.50 Å R-free 0.232
7A4Q The Crystal structure of RO4613269 bound to CK2alpha Deposited 2020-08-20 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 3–329（327 aa）
Mutation：K74A, K75A, K76A, R21S QY2 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.42 Å R-free 0.220
7AT5 Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 Deposited 2020-10-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded SO4 SULFATE ION × 2 RXE ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide × 1 42J 2-(3,4-dichlorophenyl)ethanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；reservoir composition: 30 % (w/v) PEG8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 6.5; crystallization drop composition before equilibration: 0.01 ml reservoir solution plus 0.02 ml enzyme stock solution (6 mg/ml enzyme, 0.5 M NaCl, 25 mM Tris/HCl, pH 8.5); the bivalent inhibitor KN2 was introduced by extensive soaking
Resolution 1.77 Å R-free 0.195
7AT5 Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 Deposited 2020-10-29 Different construct 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 1–335（335 aa）
Not recorded SO4 SULFATE ION × 2 RXE ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide × 1 42J 2-(3,4-dichlorophenyl)ethanamine × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；reservoir composition: 30 % (w/v) PEG8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 6.5; crystallization drop composition before equilibration: 0.01 ml reservoir solution plus 0.02 ml enzyme stock solution (6 mg/ml enzyme, 0.5 M NaCl, 25 mM Tris/HCl, pH 8.5); the bivalent inhibitor KN2 was introduced by extensive soaking
Resolution 1.77 Å R-free 0.195
7AY9 Crystal structure of CK2 bound by compound 7 Deposited 2020-11-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomer
Chain A 1–336（336 aa）
Not recorded SO4 SULFATE ION × 6 S92 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 EDO 1,2-ETHANEDIOL × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；22-26% PEG 6000 ( w/v ), 0.2 M ammonium sulfate and 0.1 M MES (pH 6.5).
Resolution 2.25 Å R-free 0.207
7AY9 Crystal structure of CK2 bound by compound 7 Deposited 2020-11-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomer
Chain B 1–336（336 aa）
Not recorded SO4 SULFATE ION × 5 S92 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 EDO 1,2-ETHANEDIOL × 13 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；22-26% PEG 6000 ( w/v ), 0.2 M ammonium sulfate and 0.1 M MES (pH 6.5).
Resolution 2.25 Å R-free 0.207
7AY9 Crystal structure of CK2 bound by compound 7 Deposited 2020-11-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimer
Chain A 1–336（336 aa）
Chain B 1–336（336 aa）
Not recorded SO4 SULFATE ION × 11 S92 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 24 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；22-26% PEG 6000 ( w/v ), 0.2 M ammonium sulfate and 0.1 M MES (pH 6.5).
Resolution 2.25 Å R-free 0.207
7AYA Crystal structure of CK2 bound by compound 9 Deposited 2020-11-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa）
Not recorded SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 12 S8W ~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；22-26% PEG 6000 ( w/v ), 0.2 M ammonium sulfate and 0.1 M MES (pH 6.5).
Resolution 2.45 Å R-free 0.229
7AYA Crystal structure of CK2 bound by compound 9 Deposited 2020-11-11 Different construct 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 1–336（336 aa）
Not recorded SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 14 S8W ~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；22-26% PEG 6000 ( w/v ), 0.2 M ammonium sulfate and 0.1 M MES (pH 6.5).
Resolution 2.45 Å R-free 0.229
7B8H Monoclinic structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide Deposited 2020-12-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded GOL GLYCEROL × 1 NIO NICOTINIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 microliter protein stock solution (8 mg/ml CK2alpha, 2 mM Heparin dodecasaccharide, 285.7 mM NaCl, 15 mM Tris, pH 8.5) was mixed with 2.5 microliter reservoir solution (32 %(w/v) PEG4000, 0.2 M malonate, 0.1 M Tris, pH 7.5). The resulting drop was equilibrated against 800 microliter reservoir solution. After equilibration the crystallization process was initialized by addition of 150 nanoliter micro seeding suspension. CK2alpha/heparin crystals grown in this way were prepared for cryo diffractometry by soaking them into a cryo solution consisting of 32 % (w/v) PEG4000, 0.2 M NaCl, 0.5 mM Heparin dodecasaccharide.
Resolution 1.34 Å R-free 0.164
7B8I Tetragonal structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide Deposited 2020-12-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded GOL GLYCEROL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；Prior to crystallization, the enzyme was incubated with heparin decasaccharide; the composition of this preincubation solution was 5 mg/ml CK2alpha1-335, 1.4 mM Heparin decasaccharide, 340 mM NaCl, 25 mM Tris/HCl, pH 8.5. 4 microliter of this enzyme/heparin mixture was mixed with 1 microliter reservoir solution. The composition of the reservoir solution was 32 % (w/v) PEG4000, 0.2 M Lithium sulfate, 0.1 M Tris/HCl, pH 7.5. As a preparation of X-ray diffraction data collection, the crystals were transferred to a cryo solution composed of 32 % (w/v) PEG4000, 10 % (v/v) glycerol, 0.2 M lithium sulfate, 0.5 mM Heparin decasaccharide, 0.1 M Tris/HCl, pH 7.5.
Resolution 2.55 Å R-free 0.240
7B8I Tetragonal structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide Deposited 2020-12-12 Different construct 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 1–335（335 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；Prior to crystallization, the enzyme was incubated with heparin decasaccharide; the composition of this preincubation solution was 5 mg/ml CK2alpha1-335, 1.4 mM Heparin decasaccharide, 340 mM NaCl, 25 mM Tris/HCl, pH 8.5. 4 microliter of this enzyme/heparin mixture was mixed with 1 microliter reservoir solution. The composition of the reservoir solution was 32 % (w/v) PEG4000, 0.2 M Lithium sulfate, 0.1 M Tris/HCl, pH 7.5. As a preparation of X-ray diffraction data collection, the crystals were transferred to a cryo solution composed of 32 % (w/v) PEG4000, 10 % (v/v) glycerol, 0.2 M lithium sulfate, 0.5 mM Heparin decasaccharide, 0.1 M Tris/HCl, pH 7.5.
Resolution 2.55 Å R-free 0.240
7BU4 Crystal structure of CK2a1 complexed with KY49 Deposited 2020-04-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded Y49 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；Ethylene glycol
Resolution 1.70 Å R-free 0.222
7I7Y Crystal Structure of 30 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 1 A1BZS 5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.15 Å R-free 0.218
7I7Z Crystal Structure of 31 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZR 5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)-N-hydroxybenzo[c][2,6]naphthyridine-8-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.35 Å R-free 0.236
7I80 Crystal Structure of 19 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 3 A1BZ2 5-({2-[(2-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}ethyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.57 Å R-free 0.222
7I81 Crystal Structure of 22 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZ1 5-{[3-({N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}amino)propyl]amino}benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 2.33 Å R-free 0.304
7I82 Crystal Structure of 20 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZ0 5-({2-[(3-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}propyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.73 Å R-free 0.221
7I83 Crystal Structure of 33 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 2 A1BZZ N~1~-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-N~4~-(2-{[(8P)-8-(1H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]amino}ethyl)butane-1,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.51 Å R-free 0.223
7I84 Crystal Structure of APL1867 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZY 5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)-N-(methanesulfonyl)benzo[c][2,6]naphthyridine-8-carboxamide × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.97 Å R-free 0.237
7I85 Crystal Structure of 49 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1B0C 5-(ethylamino)benzo[c][2,6]naphthyridine-8-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.44 Å R-free 0.222
7I86 Crystal Structure of 23 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 1 A1B0D 5-{[(3E)-3-({(E)-N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}imino)propyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.32 Å R-free 0.217
7I87 Crystal Structure of 44 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 1 A1B0K 5-{[2-(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.47 Å R-free 0.209
7I88 Crystal Structure of 50 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1B0J 5-[(2-formamidoethyl)amino]benzo[c][2,6]naphthyridine-8-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.96 Å R-free 0.217
7I89 Crystal Structure of 54a bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 2 A1B0E 5-{[2-(4-{[(3-chlorophenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.49 Å R-free 0.221
7I8A Crystal Structure of 54f bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1B0F 5-({2-[4-({[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxamide × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.84 Å R-free 0.234
7I8B Crystal Structure of 54b bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 1 A1B0G 5-{[2-(4-{[(3-chloro-4-cyclopropylphenyl)methyl]amino}butoxy)ethyl]amino}benzo[c][2,6]naphthyridine-8-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.73 Å R-free 0.215
7I8C Crystal Structure of 54b bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1B0H 5-({2-[4-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.57 Å R-free 0.217
7I8D Crystal Structure of 61a bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1B0A 5-{2-[4-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethoxy}benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.38 Å R-free 0.216
7I8E Crystal Structure of 58d bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZ9 5-{3-[4-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]azetidin-1-yl}benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.66 Å R-free 0.244
7I8F Crystal Structure of 58e bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZ8 5-{(3R)-3-[3-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)propoxy]pyrrolidin-1-yl}benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.45 Å R-free 0.215
7I8G Crystal Structure of 58f bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZ7 5-{(3S)-3-[3-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)propoxy]pyrrolidin-1-yl}benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.23 Å R-free 0.201
7I8H Crystal Structure of 58b bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZ6 5-({(2R)-1-[4-({[3-chloro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]propan-2-yl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.39 Å R-free 0.209
7I8I Crystal Structure of 61b bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 1 A1BZ5 5-{2-[4-({[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethoxy}benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.47 Å R-free 0.208
7I8J Crystal Structure of 61g bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZ4 5-{2-[4-({[4-chloro-3-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethoxy}benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.60 Å R-free 0.254
7I8K Crystal Structure of 61f bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZ3 5-{2-[4-({[3,5-difluoro-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethoxy}benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.38 Å R-free 0.230
7I8L Crystal Structure of 61c bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1B0I 5-{2-[4-({[3-methyl-4-(trifluoromethoxy)phenyl]methyl}amino)butoxy]ethoxy}-1,4-dihydrobenzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.48 Å R-free 0.203
7I8M Crystal Structure of 14 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 2 A1B0B 4-{[3-({N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}amino)propyl]amino}-1H-indazole-6-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.31 Å R-free 0.216
7I8N Crystal Structure of 12 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 3 A1BZX (4P)-3-{[3-({N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}amino)propyl]amino}-4-(1H-pyrazol-5-yl)benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.28 Å R-free 0.246
7I8O Crystal Structure of 18 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1BZW 5-({2-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.31 Å R-free 0.221
7I8P Crystal Structure of 21 bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 4 A1BZV 5-({3-[(4-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)amino]propyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.25 Å R-free 0.236
7I8Q Crystal Structure of 54l bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 1 A1BZU 5-[(2-{4-[({3-[(1,3-oxazol-5-yl)methyl]-5-(trifluoromethoxy)phenyl}methyl)amino]butoxy}ethyl)amino]benzo[c][2,6]naphthyridine-8-carboxamide × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.66 Å R-free 0.220
7I8R Crystal Structure of 54m bound to CK2a Deposited 2025-03-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S ACT ACETATE ION × 1 A1BZT 5-[(2-{4-[({3-[(1H-pyrazol-4-yl)methyl]-5-(trifluoromethoxy)phenyl}methyl)amino]butoxy}ethyl)amino]benzo[c][2,6]naphthyridine-8-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.72 Å R-free 0.221
7L1X Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600. Deposited 2020-12-15 Different construct 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 2–335（334 aa） Fragment：Catalytic subunit
Not recorded SO4 SULFATE ION × 4 GOL GLYCEROL × 1 ON6 (2Z)-6-[(2,6-dichlorophenyl)methanesulfonyl]-2-[(4-hydroxy-3-nitrophenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM Tris-HCl pH 7.5 200 mM ammonium sulfate 21% PEG5000
Resolution 1.80 Å R-free 0.221
7PSU Structure of protein kinase CK2alpha mutant K198R associated with the Okur-Chung Neurodevelopmental Syndrome Deposited 2021-09-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Mutation：K198R EDO 1,2-ETHANEDIOL × 5 SO4 SULFATE ION × 5 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；The crystallization drops were composed of a 1:1 mix of the protein solution (5 mg/mL in 500 mM NaCl, 25 mM TRIS/HCl buffer, pH 8,5) and the reservoir solution containing [0.2 M lithium sulfate, 25 % (w/v) PEG 3350 and 0.1 M Bis/TRIS/HCl, pH 6.5]. The crystals were optimized by macroseeding and transferred into a cryo-protectant solution composed of 70 microliter of the reservoir solution and 30 microliter ethylene glycol.
Resolution 1.77 Å R-free 0.218
7PSU Structure of protein kinase CK2alpha mutant K198R associated with the Okur-Chung Neurodevelopmental Syndrome Deposited 2021-09-23 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 1–391（391 aa）
Mutation：K198R EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 4 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；The crystallization drops were composed of a 1:1 mix of the protein solution (5 mg/mL in 500 mM NaCl, 25 mM TRIS/HCl buffer, pH 8,5) and the reservoir solution containing [0.2 M lithium sulfate, 25 % (w/v) PEG 3350 and 0.1 M Bis/TRIS/HCl, pH 6.5]. The crystals were optimized by macroseeding and transferred into a cryo-protectant solution composed of 70 microliter of the reservoir solution and 30 microliter ethylene glycol.
Resolution 1.77 Å R-free 0.218
7QGB H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 6.5 Deposited 2021-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded 7M0 5,6-DIBROMOBENZOTRIAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20 000, and 0.1 M buffering solution of imidazole/MES pH 6.5
Resolution 2.58 Å R-free 0.234
7QGC H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5 Deposited 2021-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded 7M0 5,6-DIBROMOBENZOTRIAZOLE × 1 FLC CITRATE ANION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；290 K；20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20 000, and 0.1 M buffering solution of imidazole/MES pH 6.5
Resolution 2.55 Å R-free 0.232
7QGD H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 8.5 Deposited 2021-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded 7M0 5,6-DIBROMOBENZOTRIAZOLE × 2 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20 000, and 0.1 M buffering solution of Tris/BICINE pH 8.5
Resolution 2.30 Å R-free 0.221
7QGE H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6,7,8-TETRABROMOBENZOTRIAZOLE (TBBt) AT PH 8.5 Deposited 2021-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Not recorded TBS 4,5,6,7-TETRABROMOBENZOTRIAZOLE × 1 CL CHLORIDE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；290 K；20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20 000, and 0.1 M buffering solution of Tris/BICINE pH 8.5
Resolution 2.27 Å R-free 0.205
7QUX Crystal structure of P7C8 bound to CK2alpha Deposited 2022-01-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–329（328 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 OUT CARBAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.2 M Ammonium sulfate, 30 % w/v PEG 4000
Resolution 1.48 Å R-free 0.204
7X4H Crystal structure of CK2a1 complexed with AG1112 Deposited 2022-03-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded 8BH 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；ethylene glycol
Resolution 1.77 Å R-free 0.208
7Z39 Structure of Belumosudil bound to CK2alpha Deposited 2022-03-01 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, ACT ACETATE ION × 4 ICQ 2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.60 Å R-free 0.213
7ZWE The Crystal structure of GW8695 bound to CK2alpha Deposited 2022-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–329（327 aa）
Mutation：K74A, K75A, K76A, R21S QXZ 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；298 K；112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.47 Å R-free 0.226
7ZWG The Crystal structure of RO4493940 bound to CK2alpha Deposited 2022-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S R7W (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 ACT ACETATE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；112.5mM Mes, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.31 Å R-free 0.203
7ZY0 Crystal structure of compound 7 bound to CK2alpha Deposited 2022-05-23 Different construct 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 2–329（328 aa）
Not recorded KC0 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.44 Å R-free 0.214
7ZY2 Crystal structure of compound 7 bound to CK2alpha Deposited 2022-05-23 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 2–329（328 aa）
Mutation：R21S, K74A, K75A, K76A ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ACT ACETATE ION × 2 H4N 5-bromanyl-1~{H}-indole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.51 Å R-free 0.210
7ZY5 Crystal structure of compound 2 bound to CK2alpha Deposited 2022-05-23 Different construct 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Not recorded 1NP 1-NAPHTHOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.82 Å R-free 0.219
7ZY5 Crystal structure of compound 2 bound to CK2alpha Deposited 2022-05-23 Different construct 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Not recorded 1NP 1-NAPHTHOL × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.82 Å R-free 0.219
7ZY8 Crystal structure of compound 2 bound to CK2alpha Deposited 2022-05-24 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.85 Å R-free 0.219
7ZY8 Crystal structure of compound 2 bound to CK2alpha Deposited 2022-05-24 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 2–329（328 aa） Fragment：residues 2-329 and N-terminal extension GSMDIEFDDDADDDGSGSGSGSGS
Mutation：R21S PO4 PHOSPHATE ION × 2 ACT ACETATE ION × 2 KE0 3-[3,5-bis(chloranyl)phenyl]propan-1-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.85 Å R-free 0.219
7ZYD Structure of Compound 6 Bound to CK2alpha Deposited 2022-05-24 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 2–329（328 aa）
Mutation：R21S, K74A, K75A, K76A ACT ACETATE ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 KD6 5-bromanyl-6-chloranyl-1~{H}-indole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.40 Å R-free 0.214
7ZYK Compound 9 Bound to CK2alpha Deposited 2022-05-25 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 2–329（328 aa）
Mutation：R21S, K74A, K75A, K76A ADP ADENOSINE-5'-DIPHOSPHATE × 1 KEC 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile × 1 ACT ACETATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.31 Å R-free 0.206
7ZYO Compound 9 Bound to CK2alpha Deposited 2022-05-25 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 2–329（328 aa）
Mutation：R21S, K74A, K75A, K76A ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ACT ACETATE ION × 2 KEX 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.58 Å R-free 0.204
7ZYR Compound 20 Bound to CK2alpha Deposited 2022-05-25 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 2–329（328 aa）
Mutation：R21S, K74A, K75A, K76A ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ACT ACETATE ION × 4 KF6 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.85 Å R-free 0.209
8AE7 The strucuture of Compound 15 bound to CK2alpha Deposited 2022-07-12 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 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S GOL GLYCEROL × 1 ACT ACETATE ION × 1 LVU 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.28 Å R-free 0.232
8AEC Structure of Compound 17 bound to CK2alpha Deposited 2022-07-12 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 2–329（328 aa）
Mutation：R21S, K74A, K75A, K76A ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ACT ACETATE ION × 2 LW3 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.09 Å R-free 0.209
8AEK Structure of Compound 14 bound to CK2alpha Deposited 2022-07-13 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 2–329（328 aa）
Mutation：R21S, K74A, K75A, K76A LVL 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ACT ACETATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.65 Å R-free 0.198
8AEM Structure of Compound 13 bound to CK2alpha Deposited 2022-07-13 Different construct 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 2–329（328 aa）
Not recorded ACT ACETATE ION × 6 LVF 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Resolution 1.60 Å R-free 0.212
8BGC Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003) Deposited 2022-10-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 4 QIA 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.80 Å R-free 0.253
8BGC Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003) Deposited 2022-10-27 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 QIA 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.80 Å R-free 0.253
8C5Q CK2 kinase bound to inhibitor AB668 Deposited 2023-01-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 TL0 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；286 K；33% polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.50 Å R-free 0.255
8C5Q CK2 kinase bound to inhibitor AB668 Deposited 2023-01-10 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 TL0 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；286 K；33% polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.50 Å R-free 0.255
8C6L Human protein kinase CK2 alpha in complex with CK2-TN01 Deposited 2023-01-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded EDO 1,2-ETHANEDIOL × 1 TO6 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.80 Å R-free 0.209
8C6M Human protein kinase CK2 alpha in complex with CK2-TN02 Deposited 2023-01-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded TNO (5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.80 Å R-free 0.202
8C6N Human protein kinase CK2 alpha in complex with CK2-TN03 Deposited 2023-01-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–336（336 aa） Fragment：kinase domain (residues 1-337)
Not recorded TN0 (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 2.05 Å R-free 0.218
8P05 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with Leucettinib-92 Deposited 2023-05-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 WAK (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.45 Å R-free 0.255
8P05 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with Leucettinib-92 Deposited 2023-05-09 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 5 WAK (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.45 Å R-free 0.255
8P06 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Deposited 2023-05-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 4 WAU 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.40 Å R-free 0.237
8P06 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Deposited 2023-05-09 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 4 WAU 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.40 Å R-free 0.237
8P07 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Deposited 2023-05-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 WAP 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.40 Å R-free 0.251
8P07 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Deposited 2023-05-09 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 WAP 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.40 Å R-free 0.251
8PVO Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5 Deposited 2023-07-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 9 EDO 1,2-ETHANEDIOL × 3 FW3 2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.25 Å R-free 0.253
8PVO Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5 Deposited 2023-07-18 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 12 EDO 1,2-ETHANEDIOL × 1 FW3 2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.25 Å R-free 0.253
8PVP Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18 Deposited 2023-07-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded FWU ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide × 1 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.60 Å R-free 0.253
8PVP Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18 Deposited 2023-07-18 Different construct 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 1–337（337 aa）
Not recorded FWU ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide × 1 SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.60 Å R-free 0.253
8QQB Crystal structure of protein kinase CK2 catalytic subunit in complex with a Dibromo Dihydro Dibenzofuranone derivative Deposited 2023-10-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–335（335 aa）
Chain B 1–335（335 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 WJE (4~{Z})-7,9-bis(bromanyl)-8-oxidanyl-4-(phenylazanylmethylidene)-1,2-dihydrodibenzofuran-3-one × 2 SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Initial drops were prepared by mixing two parts of a solution of 5 mg per mL CK2alpha1-335 including 1 mM 12c together with one part of the reservoir solution containing 30 % (weight per volume), PEG8000, 0.2 M (NH4)2SO4, and 0.1 M sodium cacodylate, pH 6.5. Crystallization was induced by microseeding.
Resolution 2.26 Å R-free 0.239
8QWY Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid Deposited 2023-10-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 X59 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 335
Resolution 2.60 Å R-free 0.251
8QWY Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid Deposited 2023-10-20 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 X59 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 335
Resolution 2.60 Å R-free 0.251
8QWZ Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid Deposited 2023-10-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 5 X5E 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.60 Å R-free 0.245
8QWZ Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid Deposited 2023-10-20 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 X5E 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.60 Å R-free 0.245
9EPV Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 Deposited 2024-03-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 2 A1H6H 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.30 Å R-free 0.248
9EPV Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 Deposited 2024-03-20 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 4 A1H6H 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.30 Å R-free 0.248
9EPW Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336 Deposited 2024-03-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–337（337 aa）
Not recorded SO4 SULFATE ION × 5 A1H6F ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M ammonia sulphate 0.1 M bis-tris pH 5.5 23-26% PEG 3350
Resolution 2.30 Å R-free 0.308
9EPX Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 Deposited 2024-03-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 1 A1H6E 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.60 Å R-free 0.246
9EPX Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 Deposited 2024-03-20 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 10 A1H6E 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.60 Å R-free 0.246
9EPY Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 Deposited 2024-03-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 9 EDO 1,2-ETHANEDIOL × 1 A1H6G ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-7-azaspiro[3.5]nonan-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.65 Å R-free 0.269
9EPY Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 Deposited 2024-03-20 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 8 EDO 1,2-ETHANEDIOL × 1 A1H6G ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-7-azaspiro[3.5]nonan-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.65 Å R-free 0.269
9EPZ Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337 Deposited 2024-03-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 1 A1H6I ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-4-yl]ethanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.65 Å R-free 0.245
9EPZ Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337 Deposited 2024-03-20 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 10 A1H6I ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-4-yl]ethanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.65 Å R-free 0.245
9EQ0 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12 Deposited 2024-03-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 3 A1H6D ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 3.15 Å R-free 0.274
9EQ0 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12 Deposited 2024-03-20 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 3 A1H6D ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 3.15 Å R-free 0.274
9EQ1 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24 Deposited 2024-03-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 EDO 1,2-ETHANEDIOL × 1 A1H6J methyl 2-[1,3-benzothiazol-6-ylsulfonyl-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]amino]ethanoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 3.00 Å R-free 0.251
9EQ1 Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24 Deposited 2024-03-20 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 12 EDO 1,2-ETHANEDIOL × 1 A1H6J methyl 2-[1,3-benzothiazol-6-ylsulfonyl-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]amino]ethanoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 3.00 Å R-free 0.251
9EZG Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Deposited 2024-04-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 10 A1H8C 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.18 Å R-free 0.242
9EZG Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Deposited 2024-04-12 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 A1H8C 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.18 Å R-free 0.242
9FBL Structure of human protein kinase CK2 catalytic subunit (CK2alpha, CSNK2A1 gene product) in complex with the cyclic peptidomimetic compound 15 discovered by high-throughput screening Deposited 2024-05-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–335（335 aa）
Not recorded NIO NICOTINIC ACID × 1 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；protein solution: 97.5 mikroliter CK2alpha-1-335 solution (7 mg/ml in 500 mmol/l NaCl, 25 mmol/l Tris/HCl, pH 8.5) was mixed with 2.5 mikroliter 20 millimolar FMP35 in DMSO and incubated for 30 min. reservoir: 1.5 mol/l lithium sulphate, 100 mM sodium HEPES buffer pH 7.5. crystallization drop: 200 nanoliter protein solution plus 100 nanoliter reservoir.
Resolution 2.18 Å R-free 0.266
9FBL Structure of human protein kinase CK2 catalytic subunit (CK2alpha, CSNK2A1 gene product) in complex with the cyclic peptidomimetic compound 15 discovered by high-throughput screening Deposited 2024-05-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–335（335 aa）
Not recorded NIO NICOTINIC ACID × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；protein solution: 97.5 mikroliter CK2alpha-1-335 solution (7 mg/ml in 500 mmol/l NaCl, 25 mmol/l Tris/HCl, pH 8.5) was mixed with 2.5 mikroliter 20 millimolar FMP35 in DMSO and incubated for 30 min. reservoir: 1.5 mol/l lithium sulphate, 100 mM sodium HEPES buffer pH 7.5. crystallization drop: 200 nanoliter protein solution plus 100 nanoliter reservoir.
Resolution 2.18 Å R-free 0.266
9FBL Structure of human protein kinase CK2 catalytic subunit (CK2alpha, CSNK2A1 gene product) in complex with the cyclic peptidomimetic compound 15 discovered by high-throughput screening Deposited 2024-05-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–335（335 aa）
Not recorded NIO NICOTINIC ACID × 1 SO4 SULFATE ION × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；protein solution: 97.5 mikroliter CK2alpha-1-335 solution (7 mg/ml in 500 mmol/l NaCl, 25 mmol/l Tris/HCl, pH 8.5) was mixed with 2.5 mikroliter 20 millimolar FMP35 in DMSO and incubated for 30 min. reservoir: 1.5 mol/l lithium sulphate, 100 mM sodium HEPES buffer pH 7.5. crystallization drop: 200 nanoliter protein solution plus 100 nanoliter reservoir.
Resolution 2.18 Å R-free 0.266
9FBM Structure of human protein kinase CK2 catalytic subunit (CK2alpha, CSNK2A1 gene product) in complex with the cyclic peptidomimetic compound 12 discovered by high-throughput screening Deposited 2024-05-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–335（335 aa）
Not recorded NIO NICOTINIC ACID × 1 SO4 SULFATE ION × 4 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；protein solution: 97.5 mikroliter CK2alpha-1-335 solution (7 mg/ml in 500 mmol/l NaCl, 25 mmol/l Tris/HCl, pH 8.5) was mixed with 2.5 mikroliter 20 millimolar FMP37 in DMSO and incubated for 30 min. reservoir: 1.5 mol/l lithium sulphate, 100 mM sodium HEPES buffer, pH 7.5. crystallization drop: 4 microliter protein solution plus 2 microliter reservoir.
Resolution 2.05 Å R-free 0.239
9FBM Structure of human protein kinase CK2 catalytic subunit (CK2alpha, CSNK2A1 gene product) in complex with the cyclic peptidomimetic compound 12 discovered by high-throughput screening Deposited 2024-05-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–335（335 aa）
Not recorded NIO NICOTINIC ACID × 1 SO4 SULFATE ION × 3 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；protein solution: 97.5 mikroliter CK2alpha-1-335 solution (7 mg/ml in 500 mmol/l NaCl, 25 mmol/l Tris/HCl, pH 8.5) was mixed with 2.5 mikroliter 20 millimolar FMP37 in DMSO and incubated for 30 min. reservoir: 1.5 mol/l lithium sulphate, 100 mM sodium HEPES buffer, pH 7.5. crystallization drop: 4 microliter protein solution plus 2 microliter reservoir.
Resolution 2.05 Å R-free 0.239
9FBM Structure of human protein kinase CK2 catalytic subunit (CK2alpha, CSNK2A1 gene product) in complex with the cyclic peptidomimetic compound 12 discovered by high-throughput screening Deposited 2024-05-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–335（335 aa）
Not recorded NIO NICOTINIC ACID × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；protein solution: 97.5 mikroliter CK2alpha-1-335 solution (7 mg/ml in 500 mmol/l NaCl, 25 mmol/l Tris/HCl, pH 8.5) was mixed with 2.5 mikroliter 20 millimolar FMP37 in DMSO and incubated for 30 min. reservoir: 1.5 mol/l lithium sulphate, 100 mM sodium HEPES buffer, pH 7.5. crystallization drop: 4 microliter protein solution plus 2 microliter reservoir.
Resolution 2.05 Å R-free 0.239
9FYF Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 Deposited 2024-07-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–337（337 aa）
Not recorded SO4 SULFATE ION × 8 A1IG6 ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.70 Å R-free 0.249
9FYF Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 Deposited 2024-07-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 A1IG6 ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M bis-tris pH 5.5 23-26% (v/v) PEG 3350 0.2 M ammonia sulphate
Resolution 2.70 Å R-free 0.249
9GCW Crystal structure of protein kinase CK2 catalytic subunit (csnk2a1 gene product) in complex with the dual CK2/HDAC inhibitor IOR-160 Deposited 2024-08-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded A1IKB 5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；1 MIKROLITER OF A CK2ALPHA/INHIBITOR MIXTURE (COMPOSITION: 4.5 MG/ML CK2ALPHA ENZYME, 1 MILLIMOLAR INHIBITOR, 10 % DIMETHYL SULFOXIDE, 450 MM NACL, 22.5 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 1 MIKROLITER RESERVOIR SOLUTION (COMPOSITION: 4.2 M sodium chloride, 0.1 M SODIUM Citrate, PH 5.5) FOLLOWED BY VAPOUR DIFFUSION EQUILIBRATION AGAINST MICROLITER OF THE RESERVOIR SOLUTION.
Resolution 1.86 Å R-free 0.233
9H97 Structure of protein kinase CK2 catalytic subunit CK2alpha (CSNK2A1 gene product) in complex with the indenoindole-type inhibitor MC11 at high-salt conditions Deposited 2024-10-30 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded A1ITG 1,2,3,4-tetrakis(bromanyl)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；Reservoir: 4.2 M NaCl, 0.1 M sodium citrat pH 8.5 Protein 5 mg per mL including 1 mM MC11 in DMSO Drop: Mixing 1 microliter protein incl. MC11 with 1 microliter reservoir solution
Resolution 1.70 Å R-free 0.231
9H9D Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex the the indenoindole-type inhibitor MC11 Deposited 2024-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–335（335 aa）
Chain B 1–335（335 aa）
Not recorded A1ITG 1,2,3,4-tetrakis(bromanyl)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione × 2 SO4 SULFATE ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Reservoir: 0.2 M Lithium sulphate, 0.1 M BIS-TRIS-HCl, pH 6.5, 30 % PEG 3350 Inititial drop: 4 microliter CK2alpha 5 mg per mL incl. 1 mM MC11 in DMSO mixed with 2 microliter reservoir.
Resolution 2.09 Å R-free 0.229
9HKP Protein kinase CK2 with small molecule ligands Deposited 2024-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded A1IVQ [1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate × 1 SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.82 Å R-free 0.261
9HKP Protein kinase CK2 with small molecule ligands Deposited 2024-12-03 Different construct 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 1–337（337 aa）
Not recorded A1IVQ [1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate × 1 SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.82 Å R-free 0.261
9HKS Protein Kinase CK2 and small molecule ligands Deposited 2024-12-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 4 A1IVR 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.40 Å R-free 0.262
9HKS Protein Kinase CK2 and small molecule ligands Deposited 2024-12-04 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 3 A1IVR 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.40 Å R-free 0.262
9HL0 Protein Kinase CK2 and small molecule ligands Deposited 2024-12-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 PEG DI(HYDROXYETHYL)ETHER × 1 A1IVS 5,7-bis(fluoranyl)-1~{H}-indole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.63 Å R-free 0.280
9HL0 Protein Kinase CK2 and small molecule ligands Deposited 2024-12-04 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 A1IVS 5,7-bis(fluoranyl)-1~{H}-indole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.63 Å R-free 0.280
9HL7 Protein Kinase CK2 and small molecule ligands Deposited 2024-12-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 A1IVT 2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.28 Å R-free 0.265
9HL7 Protein Kinase CK2 and small molecule ligands Deposited 2024-12-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–337（337 aa）
Not recorded SO4 SULFATE ION × 7 A1IVT 2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid × 2 DMS DIMETHYL SULFOXIDE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.28 Å R-free 0.265
9HPH Protein kinase CK2 bound to KDX1381 Deposited 2024-12-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 10 PEG DI(HYDROXYETHYL)ETHER × 2 A1IWI ~{N}-[2-[4-[[4-(2-ethanoyl-5-fluoranyl-1~{H}-indol-3-yl)-1,2,3-triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-fluoranyl-6-oxidanyl-phenyl)benzenesulfonamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33% polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.16 Å R-free 0.275
9HPH Protein kinase CK2 bound to KDX1381 Deposited 2024-12-13 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 14 A1IWI ~{N}-[2-[4-[[4-(2-ethanoyl-5-fluoranyl-1~{H}-indol-3-yl)-1,2,3-triazol-1-yl]methyl]piperidin-1-yl]ethyl]-4-(2-fluoranyl-6-oxidanyl-phenyl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33% polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.16 Å R-free 0.275
9HXU Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment C02 Deposited 2025-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–335（335 aa）
Chain B 1–335（335 aa）
Not recorded SYA 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid × 3 SO4 SULFATE ION × 7 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir:200 mM Li2SO4, 100 mM Bis-Tris/HCl, pH 6.5, 35 % (w/v) PEG 3350 Protein/Ligand mix: 5 mg per mL CK2alpha1-335, 100 mM ligand/0.5 mM CX-4945, 10 % DMSO prequilibrated Drop: 4 microliter protein/ligand mix, 2 microliter reservoir solution
Resolution 2.20 Å R-free 0.216
9HYH Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment D02 and CX-4945 (Silmitasertib) Deposited 2025-01-10 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded SY4 ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide × 1 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir: 200 mM Li2SO4, 100 mM Bis-Tris/HCl, pH 6.5, 35 % PEG 3350 Protein/Ligand mix: 5 mg per mL CK2alpha1-335, 100 mM ligand, 0.5 mM CX-4945, 10 % DMSO, prequilibrated Drop: 4 microliter protein/ligand plus 2 microliter reservoir
Resolution 1.96 Å R-free 0.241
9HYH Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment D02 and CX-4945 (Silmitasertib) Deposited 2025-01-10 Different construct 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 1–335（335 aa）
Not recorded SY4 ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide × 1 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir: 200 mM Li2SO4, 100 mM Bis-Tris/HCl, pH 6.5, 35 % PEG 3350 Protein/Ligand mix: 5 mg per mL CK2alpha1-335, 100 mM ligand, 0.5 mM CX-4945, 10 % DMSO, prequilibrated Drop: 4 microliter protein/ligand plus 2 microliter reservoir
Resolution 1.96 Å R-free 0.241
9HZH Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment F02 and CX-4945 (Silmitasertib) Deposited 2025-01-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–335（335 aa）
Not recorded SO4 SULFATE ION × 3 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 T9Y ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir:200 mM Li2SO4, 100 mM Bis-Tris/HCl, pH 6.5, 35 % (w/v) PEG 3350 Protein/Ligand mix: 5 mg per mL CK2alpha1-335, 100 mM ligand/0.5 mM CX-4945, 10 % DMSO prequilibrated Drop: 4 microliter protein/ligand mix, 2 microliter reservoir solution
Resolution 2.07 Å R-free 0.256
9HZH Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment F02 and CX-4945 (Silmitasertib) Deposited 2025-01-13 Different construct 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 1–335（335 aa）
Not recorded SO4 SULFATE ION × 3 3NG 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 T9Y ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir:200 mM Li2SO4, 100 mM Bis-Tris/HCl, pH 6.5, 35 % (w/v) PEG 3350 Protein/Ligand mix: 5 mg per mL CK2alpha1-335, 100 mM ligand/0.5 mM CX-4945, 10 % DMSO prequilibrated Drop: 4 microliter protein/ligand mix, 2 microliter reservoir solution
Resolution 2.07 Å R-free 0.256
9I0Z Human protein kinase CK2 alpha in complex with TN11 Deposited 2025-01-15 Different construct 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 3–330（328 aa）
Not recorded SO4 SULFATE ION × 4 A1IYU (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.55 Å R-free 0.194
9I10 Human protein kinase CK2 alpha in complex with TN12 Deposited 2025-01-15 Different construct 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 3–330（328 aa）
Not recorded A1IYV (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one × 1 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.50 Å R-free 0.193
9I11 Human protein kinase CK2 alpha in complex with TN16 Deposited 2025-01-15 Different construct 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 3–330（328 aa）
Not recorded SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 2 A1IYW (2~{Z},5~{Z})-2-(3-hydroxyphenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.60 Å R-free 0.196
9I12 Human protein kinase CK2 alpha in complex with TN17 Deposited 2025-01-15 Different construct 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 3–330（328 aa）
Not recorded SO4 SULFATE ION × 3 A1IYX (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 2.00 Å R-free 0.223
9I13 Human protein kinase CK2 alpha in complex with TN19 Deposited 2025-01-15 Different construct 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 3–330（328 aa）
Not recorded SO4 SULFATE ION × 3 A1IYY (2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.75 Å R-free 0.195
9I17 Human protein kinase CK2 alpha in complex with TN20 Deposited 2025-01-16 Different construct 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 3–330（328 aa）
Not recorded SO4 SULFATE ION × 4 A1IYZ (2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；32% PEG4000, 0.2 M Lithium Sulfate
Resolution 1.55 Å R-free 0.192
9QQX Crystal Structure of 54k bound to CK2a Deposited 2025-04-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1I9L 5-[2-[4-[[3-aminocarbonyl-5-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.60 Å R-free 0.245
9QRH Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded A1I9M 5-[[(3~{E})-3-[4-[2-(3,4-dichlorophenyl)ethylamino]-4-oxidanylidene-butanoyl]iminopropyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.59 Å R-free 0.236
9QRH Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-03 Different construct 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 1–337（337 aa）
Not recorded A1I9M 5-[[(3~{E})-3-[4-[2-(3,4-dichlorophenyl)ethylamino]-4-oxidanylidene-butanoyl]iminopropyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.59 Å R-free 0.236
9QRI Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded A1I9N 5-[4-[[4-[2-(3,4-dichlorophenyl)ethylamino]-4-oxidanylidene-butanoyl]amino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.35 Å R-free 0.243
9QRI Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-03 Different construct 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 1–337（337 aa）
Not recorded A1I9N 5-[4-[[4-[2-(3,4-dichlorophenyl)ethylamino]-4-oxidanylidene-butanoyl]amino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.35 Å R-free 0.243
9QRJ Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 4 A1I9O 5-[6-[(3-chloranyl-4-phenyl-phenyl)methylamino]hexylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.73 Å R-free 0.256
9QRJ Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-03 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 3 A1I9O 5-[6-[(3-chloranyl-4-phenyl-phenyl)methylamino]hexylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5
Resolution 2.73 Å R-free 0.256
9QSR Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded A1I90 5-[7-[(3-chloranyl-4-phenyl-phenyl)methylamino]heptylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.83 Å R-free 0.326
9QSR Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct 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 1–337（337 aa）
Not recorded A1I90 5-[7-[(3-chloranyl-4-phenyl-phenyl)methylamino]heptylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.83 Å R-free 0.326
9QSS Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded A1I9Z 5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.88 Å R-free 0.236
9QSS Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct 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 1–337（337 aa）
Not recorded A1I9Z 5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.88 Å R-free 0.236
9QST Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 3 A1I91 5-[4-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanoylamino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.70 Å R-free 0.243
9QST Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 6 A1I91 5-[4-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanoylamino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.70 Å R-free 0.243
9QSU Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 3 A1I92 5-[4-[3-[[4-(2-methoxyphenyl)phenyl]methylamino]propanoylamino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.73 Å R-free 0.258
9QSU Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 3 A1I92 5-[4-[3-[[4-(2-methoxyphenyl)phenyl]methylamino]propanoylamino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.73 Å R-free 0.258
9QSV Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–337（337 aa）
Not recorded SO4 SULFATE ION × 3 A1I93 5-(methylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.78 Å R-free 0.273
9QSV Protein Kinase CK2 and bivalent inhibitors Deposited 2025-04-07 Different construct 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 1–337（337 aa）
Not recorded SO4 SULFATE ION × 5 A1I93 5-(methylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；33 % polyethylene glycol methyl ether 5000, 0.2 M ammonium sulfate, 0.1 MES pH 6.5.
Resolution 2.78 Å R-free 0.273
9QY7 Crystal Structure of 54e bound to CK2a Deposited 2025-04-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–329（328 aa）
Mutation：K74A, K75A, K76A, R21S A1JB4 5-[2-[4-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate
Resolution 1.39 Å R-free 0.208
9RCX Structure of protein kinase CK2alpha mutant T127M associated with the Okur-Chung Neurodevelopmental Syndrome Deposited 2025-05-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Mutation：T127M SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir: 200 mM Lithium sulphate, 100 mM Bis-tris, pH 6.5, 35 % PEG 3350 Protein concentrated to 5 mg per mL in 500 mM NaCl, 25 mM Tris-HCl, pH 8.5 Drop: 6 microliter protein, 2 microliter reservoir solution
Resolution 2.25 Å R-free 0.245
9RCX Structure of protein kinase CK2alpha mutant T127M associated with the Okur-Chung Neurodevelopmental Syndrome Deposited 2025-05-30 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 1–391（391 aa）
Mutation：T127M SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir: 200 mM Lithium sulphate, 100 mM Bis-tris, pH 6.5, 35 % PEG 3350 Protein concentrated to 5 mg per mL in 500 mM NaCl, 25 mM Tris-HCl, pH 8.5 Drop: 6 microliter protein, 2 microliter reservoir solution
Resolution 2.25 Å R-free 0.245
9RCY Structure of protein kinase CK2alpha mutant R21Q associated with the Okur-Chung Neurodevelopmental Syndrome Deposited 2025-05-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Mutation：R21Q SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir: 700 microliters of 200 mM Lithium sulphate, 100 mM Bis-Tris, pH 6.5, 35 % PEG 3350 Protein concentrated to 5 mg per mL in 500 mM NaCl, 25 mM Tris-HCl, pH 8.5 Drop: 6 microliter protein mixed with 2 microliter reservoir
Resolution 2.35 Å R-free 0.258
9RCY Structure of protein kinase CK2alpha mutant R21Q associated with the Okur-Chung Neurodevelopmental Syndrome Deposited 2025-05-30 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 1–391（391 aa）
Mutation：R21Q SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir: 700 microliters of 200 mM Lithium sulphate, 100 mM Bis-Tris, pH 6.5, 35 % PEG 3350 Protein concentrated to 5 mg per mL in 500 mM NaCl, 25 mM Tris-HCl, pH 8.5 Drop: 6 microliter protein mixed with 2 microliter reservoir
Resolution 2.35 Å R-free 0.258
9RFN Structure of protein kinase CK2alpha mutant E264D associated with the Okur-Chung Neurodevelopmental Syndrome Deposited 2025-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–391（391 aa）
Mutation：E264D EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir: 200 mM Li2SO4, 100 mM BIS-TRIS, HCl ph 6.5, 35 % PEG 3350 Protein: 5 mg per mL in 500 mM NaCl, 25 mM TRIS-HCl, pH 8.5 Drop: 4 microliter protein mixed with 2 microliter reservoir
Resolution 2.58 Å R-free 0.280
9RFN Structure of protein kinase CK2alpha mutant E264D associated with the Okur-Chung Neurodevelopmental Syndrome Deposited 2025-06-04 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 1–391（391 aa）
Mutation：E264D SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Reservoir: 200 mM Li2SO4, 100 mM BIS-TRIS, HCl ph 6.5, 35 % PEG 3350 Protein: 5 mg per mL in 500 mM NaCl, 25 mM TRIS-HCl, pH 8.5 Drop: 4 microliter protein mixed with 2 microliter reservoir
Resolution 2.58 Å R-free 0.280
9TTA Crystal Structure of S12 bound to Ck2a Deposited 2026-01-06 Different construct 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 2–329（328 aa）
Not recorded A1JXM 3-[2-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl-[2-oxidanylidene-2-[2-(2-prop-2-ynoxyethoxy)ethylamino]ethyl]amino]ethanoylamino]benzoic acid × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Resolution 1.91 Å R-free 0.284

313 other PDB entries and 445 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CSK21_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 2–14； UniProt 340–352 Author chain D； PDBConstruct 2–14； UniProt 340–352

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 3pe4

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3pe4
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3pe4
Deposition date deposition_date2010-10-25
Structure title titleStructure of human O-GlcNAc transferase and its complex with a peptide substrate
Keywords keywordsGT-B, glycosyltransferase, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier37.63 Å
Radius of gyration Rg (electron density) rg_electron37.29 Å
Forward intensity I(0) i0380870000.00
Molecular weight molecular_weight157920.0 kDa
Excluded volume excluded_volume197310 ų
Envelope volume envelope_volume251020 ų
Hydration-shell volume shell_volume54824 ų
Envelope diameter envelope_diameter122.3 Å
Shell Rg shell_rg44.23 Å
Envelope Rg envelope_rg37.13 Å
Shape Rg shape_rg37.30 Å
Total Rg total_rg37.64 Å
Total atoms total_atoms11080
Residues n_residues1397
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 dmax118.0 Å
Rg (real space) rg_real37.58 Å
Rg uncertainty (real space) rg_real_error0.70 Å
I(0) (real space) i0_real3.8090e+08
I(0) uncertainty (real space) i0_real_error6.2000e+06
Rg (reciprocal space) rg_reciprocal37.61 Å
I(0) (reciprocal space) i0_reciprocal380900000.0000
Solution quality estimate total_estimate0.8362
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary42.1 Å
Skewness Skewness skewness0.244
Kurtosis Kurtosis kurtosis-0.622
Angular range angular_range— – 0.2100 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha97180000.0000
Real-space data points n_real_points43
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.955; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000
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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) 10 domains

CATH v4.4 (10 domains)

Domain ID domain_id3pe4A01
Class class1 — Mainly Alpha
Architecture architecture25 — Alpha Horseshoe
Topology topology40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily10 — Tetratricopeptide repeat domain
Domain ID domain_id3pe4A02
Class class1 — Mainly Alpha
Architecture architecture25 — Alpha Horseshoe
Topology topology40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily10 — Tetratricopeptide repeat domain
Domain ID domain_id3pe4A03
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily11380 —
Domain ID domain_id3pe4A04
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology720 — Signal recognition particle alu RNA binding heterodimer, srp9/1
Homologous superfamily homologous superfamily150 —
Domain ID domain_id3pe4A05
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily2000 — Glycogen Phosphorylase B;
Domain ID domain_id3pe4C01
Class class1 — Mainly Alpha
Architecture architecture25 — Alpha Horseshoe
Topology topology40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily10 — Tetratricopeptide repeat domain
Domain ID domain_id3pe4C02
Class class1 — Mainly Alpha
Architecture architecture25 — Alpha Horseshoe
Topology topology40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily10 — Tetratricopeptide repeat domain
Domain ID domain_id3pe4C03
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily11380 —
Domain ID domain_id3pe4C04
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology720 — Signal recognition particle alu RNA binding heterodimer, srp9/1
Homologous superfamily homologous superfamily150 —
Domain ID domain_id3pe4C05
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily2000 — Glycogen Phosphorylase B;
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8. Citations (1)

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9. Files and Curves (10)