Current Protein Identity：P68400
New Search
Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 11UC Crystal structure of Casein Kinase 2 (CK2) alpha in complex with BMS-595 Deposited 2026-03-13 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 |
| 3PE4 Structure of human O-GlcNAc transferase and its complex with a peptide substrate Deposited 2010-10-25 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
340–352（13 aa）
Fragment：UNP residues 340-352
|
Not recorded | 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 |
| 3PE4 Structure of human O-GlcNAc transferase and its complex with a peptide substrate Deposited 2010-10-25 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
340–352（13 aa）
Fragment：UNP residues 340-352
|
Not recorded | 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 |
| 3PE4 Structure of human O-GlcNAc transferase and its complex with a peptide substrate Deposited 2010-10-25 | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
340–352（13 aa）
Fragment：UNP residues 340-352
|
Not recorded | 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 |
| 3PE4 Structure of human O-GlcNAc transferase and its complex with a peptide substrate Deposited 2010-10-25 | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain D
340–352（13 aa）
Fragment：UNP residues 340-352
|
Not recorded | 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 |
| 3Q04 Crystal structure of the apo-form of human CK2 alpha at pH 8.5 Deposited 2010-12-15 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–329（329 aa）
|
Mutation：C147A,C220A | SO4 SULFATE ION × 2 | 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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomer（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomer（1） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimer（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 |