Current Protein Identity：Q99986
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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 |
|---|---|---|---|---|---|---|---|
| 2KTY Solution Structure of human Vaccinia Related Kinase-1 Deposited 2010-02-10 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–360（360 aa）
Fragment：residues 1-360
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.8；298 K；Ionic strength (raw mmCIF value) 20
NMR sample composition
0.3-0.5mM [U-100% 13C; U-100% 15N; U-80% 2H] Vaccinia Related-Kinase 1; 0.3-0.5mM [U-100% 15N; U-50% 2H] Vaccinia Related-Kinase 1; 0.1-0.2mM [U-100% 15N] Vaccinia Related-Kinase 1; 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.3-0.5mM [U-100% 13C; U-100% 15N; U-70% 2H] Vaccinia Related-Kinase 1; 0.3-0.5mM [13C;15N]-Val,Ile,Leu; [U-100% 2H] Vaccinia Related-Kinase 1; 100% D2O | 100% D2O
|
Resolution not provided |
| 2KUL Solution structure of human vaccinia related kinase 1(VRK1) Deposited 2010-02-19 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–360（360 aa）
Fragment：residues 1-360
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.8；298 K；Ionic strength (raw mmCIF value) 20
NMR sample composition
0.3-0.5mM [U-100% 13C; U-100% 15N; U-80% 2H] Vaccinia Related-Kinase 1; 0.3-0.5mM [U-100% 15N; U-50% 2H] Vaccinia Related-Kinase 1; 0.1-0.2mM [U-100% 15N] Vaccinia Related-Kinase 1; 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.3-0.5mM [U-100% 13C; U-100% 15N; U-70% 2H] Vaccinia Related-Kinase 1; 0.3-0.5mM [13C;15N]-Val,Ile,Leu; [U-100% 2H] Vaccinia Related-Kinase 1; 100% D2O | 100% D2O
|
Resolution not provided |
| 2LAV NMR solution structure of human Vaccinia-Related Kinase 1 Deposited 2011-03-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–361（361 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 6.8；298 K；Ionic strength (raw mmCIF value) 20
NMR sample composition
0.3-0.5 mM [U-100% 13C; U-100% 15N; U-80% 2H] Vaccinia Related-Kinase 1, 0.3-0.5 mM [U-100% 15N; U-50% 2H] Vaccinia Related-Kinase 1, 0.1-0.2 mM [U-100% 15N] Vaccinia Related-Kinase 1, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.3-0.5 mM [U-100% 13C; U-100% 15N; U-70% 2H] Vaccinia Related-Kinase 1, 0.3-0.5 mM [13C;15N]-Val,Ile,Leu; [U-100% 2H] Vaccinia Related-Kinase 1, 100% D2O | 100% D2O
|
Resolution not provided |
| 2RSV Solution structure of human full-length vaccinia related kinase 1 (VRK1) Deposited 2012-07-12 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–396（396 aa）
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 120；Pressure ambient
NMR sample composition
0.4 MM [U-13C; U-15N; U-2H; 1H ILE, LEU, VAL, ALA METHYL; 1H MET METHYL,GAMMA; 1H PHE EPSILON] VRK1, 20 MM [U-2H] TRIS,100 MM SODIUM CHLORIDE, 50 MM GLUTAMIC ACID, 50 MM ARGININE, 1 MM [U-2H] DTT, 0.02 % SODIUM AZIDE, 90% H2O/10% D2O;
0.4 MM [U-13C; U-15N; U-2H; 1H ILE, LEU, VAL METHYL; 1H PHE, TYR EPSILON] VRK1, 20 MM [U-2H] TRIS,100 MM SODIUM CHLORIDE, 50 MM GLUTAMIC ACID, 50 MM ARGININE,
1 MM [U-2H] DTT, 0.02 % SODIUM AZIDE, 90% H2O/10% D2O;
0.4 MM [U-15N; U-2H; 13C,1H ILE, LEU, VAL METHYL; 13C,1H PHE DELTA/EPSILON/ZETA] VRK1, 20 MM [U-2H] TRIS,100 MM SODIUM CHLORIDE, 50 MM GLUTAMIC ACID, 50 MM ARGININE, 1 MM [U-2H] DTT, 0.02 % SODIUM AZIDE, 90% H2O/10% D2O;
0.4 MM SAIL-VRK1, 20 MM [U-2H] TRIS, 100 MM SODIUM CHLORIDE, 50 MM GLUTAMIC ACID, 50 MM ARGININE, 1 MM [U-2H] DTT, 0.02 % SODIUM AZIDE, 90% H2O/10% D2O; | 90% H2O/10% D2O
|
Resolution not provided |
| 3OP5 Human vaccinia-related kinase 1 Deposited 2010-08-31 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：KINASE DOMAIN, RESIDUES 3-369
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | REB [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile × 1 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.2m K/Na(tartrate), 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.213 |
| 3OP5 Human vaccinia-related kinase 1 Deposited 2010-08-31 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：KINASE DOMAIN, RESIDUES 3-369
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | REB [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile × 1 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.2m K/Na(tartrate), 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.213 |
| 3OP5 Human vaccinia-related kinase 1 Deposited 2010-08-31 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：KINASE DOMAIN, RESIDUES 3-369
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | REB [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile × 1 EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.2m K/Na(tartrate), 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.213 |
| 3OP5 Human vaccinia-related kinase 1 Deposited 2010-08-31 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：KINASE DOMAIN, RESIDUES 3-369
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | REB [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.2m K/Na(tartrate), 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.213 |
| 5UKF Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor Deposited 2017-01-22 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：UNP residues 3-364
|
Not recorded | 8E1 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide × 1 PO4 PHOSPHATE ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG 3350; 0.3M AmSO4; 0.1M HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.214 |
| 5UKF Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor Deposited 2017-01-22 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：UNP residues 3-364
|
Not recorded | 8E1 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide × 1 PO4 PHOSPHATE ION × 4 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG 3350; 0.3M AmSO4; 0.1M HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.214 |
| 5UKF Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor Deposited 2017-01-22 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：UNP residues 3-364
|
Not recorded | 8E1 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide × 1 PO4 PHOSPHATE ION × 2 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG 3350; 0.3M AmSO4; 0.1M HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.214 |
| 5UKF Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor Deposited 2017-01-22 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：UNP residues 3-364
|
Not recorded | 8E1 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide × 1 CL CHLORIDE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG 3350; 0.3M AmSO4; 0.1M HEPES pH 7.0
|
Resolution 2.40 Å R-free 0.214 |
| 5UVF Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 Deposited 2017-02-20 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：UNP RESIDUES 3-364
|
Mutation：YES | 7DZ (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG3350, 0.1M BISTRIS, 0.2M, LITHIUM SULFATE, PH 6.5
|
Resolution 2.00 Å R-free 0.204 |
| 5UVF Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 Deposited 2017-02-20 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：UNP RESIDUES 3-364
|
Mutation：YES | 7DZ (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG3350, 0.1M BISTRIS, 0.2M, LITHIUM SULFATE, PH 6.5
|
Resolution 2.00 Å R-free 0.204 |
| 5UVF Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 Deposited 2017-02-20 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：UNP RESIDUES 3-364
|
Mutation：YES | 7DZ (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1 PO4 PHOSPHATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG3350, 0.1M BISTRIS, 0.2M, LITHIUM SULFATE, PH 6.5
|
Resolution 2.00 Å R-free 0.204 |
| 5UVF Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 Deposited 2017-02-20 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：UNP RESIDUES 3-364
|
Mutation：YES | 7DZ (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1 PO4 PHOSPHATE ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG3350, 0.1M BISTRIS, 0.2M, LITHIUM SULFATE, PH 6.5
|
Resolution 2.00 Å R-free 0.204 |
| 6AC9 Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP Deposited 2018-07-25 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–364（364 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；27.5 % w/v PEG 3350, 0.2 M of ammonium sulfate, 0.1 M of HEPES (pH 7.0)
|
Resolution 2.07 Å R-free 0.223 |
| 6AC9 Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP Deposited 2018-07-25 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–364（364 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 CL CHLORIDE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；27.5 % w/v PEG 3350, 0.2 M of ammonium sulfate, 0.1 M of HEPES (pH 7.0)
|
Resolution 2.07 Å R-free 0.223 |
| 6AC9 Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP Deposited 2018-07-25 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
1–364（364 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；27.5 % w/v PEG 3350, 0.2 M of ammonium sulfate, 0.1 M of HEPES (pH 7.0)
|
Resolution 2.07 Å R-free 0.223 |
| 6AC9 Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP Deposited 2018-07-25 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
1–364（364 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；27.5 % w/v PEG 3350, 0.2 M of ammonium sulfate, 0.1 M of HEPES (pH 7.0)
|
Resolution 2.07 Å R-free 0.223 |
| 6BP0 Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor Deposited 2017-11-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
Resolution 1.90 Å R-free 0.226 |
| 6BP0 Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor Deposited 2017-11-21 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 3 E1D (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
Resolution 1.90 Å R-free 0.226 |
| 6BP0 Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor Deposited 2017-11-21 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
Resolution 1.90 Å R-free 0.226 |
| 6BP0 Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor Deposited 2017-11-21 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 1 E1D (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
Resolution 1.90 Å R-free 0.226 |
| 6BRU Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor Deposited 2017-12-01 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 1.80 Å R-free 0.214 |
| 6BRU Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor Deposited 2017-12-01 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 3 E5M (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 1.80 Å R-free 0.214 |
| 6BRU Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor Deposited 2017-12-01 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 1.80 Å R-free 0.214 |
| 6BRU Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor Deposited 2017-12-01 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 2 E5M (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 1.80 Å R-free 0.214 |
| 6BTW Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor Deposited 2017-12-07 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 2 E8D 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 1.90 Å R-free 0.215 |
| 6BTW Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor Deposited 2017-12-07 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 3 E8D 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 1.90 Å R-free 0.215 |
| 6BTW Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor Deposited 2017-12-07 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 1.90 Å R-free 0.215 |
| 6BTW Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor Deposited 2017-12-07 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 3 E8D 2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-phenyl-7,8-dihydropteridin-6(5H)-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 1.90 Å R-free 0.215 |
| 6BU6 Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor Deposited 2017-12-08 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | E8V 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol) × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
Resolution 1.80 Å R-free 0.212 |
| 6BU6 Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor Deposited 2017-12-08 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | E8V 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol) × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
Resolution 1.80 Å R-free 0.212 |
| 6BU6 Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor Deposited 2017-12-08 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
Resolution 1.80 Å R-free 0.212 |
| 6BU6 Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor Deposited 2017-12-08 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | E8V 4,4'-(2-aminopyridine-3,5-diyl)bis(2,6-difluorophenol) × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
Resolution 1.80 Å R-free 0.212 |
| 6CFM Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor Deposited 2018-02-15 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 1 EA7 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 2.45 Å R-free 0.245 |
| 6CFM Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor Deposited 2018-02-15 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 2 EA7 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 2.45 Å R-free 0.245 |
| 6CFM Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor Deposited 2018-02-15 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 2.45 Å R-free 0.245 |
| 6CFM Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor Deposited 2018-02-15 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 3 EA7 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
Resolution 2.45 Å R-free 0.245 |
| 6CMM Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor Deposited 2018-03-05 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ACT ACETATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30.25% PEG3350, 200 mM LiSO4, 0.1M SBG buffer pH 6.5
|
Resolution 2.10 Å R-free 0.222 |
| 6CMM Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor Deposited 2018-03-05 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ACT ACETATE ION × 3 F7D (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30.25% PEG3350, 200 mM LiSO4, 0.1M SBG buffer pH 6.5
|
Resolution 2.10 Å R-free 0.222 |
| 6CMM Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor Deposited 2018-03-05 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ACT ACETATE ION × 2 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30.25% PEG3350, 200 mM LiSO4, 0.1M SBG buffer pH 6.5
|
Resolution 2.10 Å R-free 0.222 |
| 6CMM Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor Deposited 2018-03-05 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ACT ACETATE ION × 1 F7D (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30.25% PEG3350, 200 mM LiSO4, 0.1M SBG buffer pH 6.5
|
Resolution 2.10 Å R-free 0.222 |
| 6CNX Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor Deposited 2018-03-09 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | F87 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30.25% PEG3350, 30mM LiSO4, 0.1M SBG (Sodium-tartrate, Bis-Tris, Glycylglycine)
|
Resolution 2.00 Å R-free 0.211 |
| 6CNX Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor Deposited 2018-03-09 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | F87 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 ACT ACETATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30.25% PEG3350, 30mM LiSO4, 0.1M SBG (Sodium-tartrate, Bis-Tris, Glycylglycine)
|
Resolution 2.00 Å R-free 0.211 |
| 6CNX Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor Deposited 2018-03-09 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 1 ACT ACETATE ION × 4 FCS (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30.25% PEG3350, 30mM LiSO4, 0.1M SBG (Sodium-tartrate, Bis-Tris, Glycylglycine)
|
Resolution 2.00 Å R-free 0.211 |
| 6CNX Crystal Structure of the Human vaccinia-related kinase 1 (VRK1) bound to an N-propynyl-N-isopentyl-dihydropteridin inhibitor Deposited 2018-03-09 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | F87 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30.25% PEG3350, 30mM LiSO4, 0.1M SBG (Sodium-tartrate, Bis-Tris, Glycylglycine)
|
Resolution 2.00 Å R-free 0.211 |
| 6CQH Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor Deposited 2018-03-15 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | F8Y (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；25% PEG3350, 300 mM LiSO4, 0.1M SBG, pH 6.0, 30% glycerol
|
Resolution 2.15 Å R-free 0.239 |
| 6CQH Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor Deposited 2018-03-15 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | F8Y (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 3 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；25% PEG3350, 300 mM LiSO4, 0.1M SBG, pH 6.0, 30% glycerol
|
Resolution 2.15 Å R-free 0.239 |
| 6CQH Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor Deposited 2018-03-15 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；25% PEG3350, 300 mM LiSO4, 0.1M SBG, pH 6.0, 30% glycerol
|
Resolution 2.15 Å R-free 0.239 |
| 6CQH Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor Deposited 2018-03-15 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | F8Y (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 1 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；25% PEG3350, 300 mM LiSO4, 0.1M SBG, pH 6.0, 30% glycerol
|
Resolution 2.15 Å R-free 0.239 |
| 6CSW Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor Deposited 2018-03-21 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 2 ACT ACETATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1M SBG pH 7.0
|
Resolution 2.25 Å R-free 0.233 |
| 6CSW Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor Deposited 2018-03-21 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 3 FBY (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one × 1 GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1M SBG pH 7.0
|
Resolution 2.25 Å R-free 0.233 |
| 6CSW Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor Deposited 2018-03-21 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 3 GOL GLYCEROL × 4 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1M SBG pH 7.0
|
Resolution 2.25 Å R-free 0.233 |
| 6CSW Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor Deposited 2018-03-21 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 6 ACT ACETATE ION × 1 FBY (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one × 1 GOL GLYCEROL × 7 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1M SBG pH 7.0
|
Resolution 2.25 Å R-free 0.233 |
| 6DD4 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor Deposited 2018-05-09 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 5 ACT ACETATE ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350, 200 mM LiSO4, 0.1M SBG, pH 7.0
|
Resolution 2.10 Å R-free 0.226 |
| 6DD4 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor Deposited 2018-05-09 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ACT ACETATE ION × 2 G6J (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350, 200 mM LiSO4, 0.1M SBG, pH 7.0
|
Resolution 2.10 Å R-free 0.226 |
| 6DD4 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor Deposited 2018-05-09 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 2 ACT ACETATE ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350, 200 mM LiSO4, 0.1M SBG, pH 7.0
|
Resolution 2.10 Å R-free 0.226 |
| 6DD4 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor Deposited 2018-05-09 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 1 ACT ACETATE ION × 1 G6J (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350, 200 mM LiSO4, 0.1M SBG, pH 7.0
|
Resolution 2.10 Å R-free 0.226 |
| 6NPN Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor Deposited 2019-01-18 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | KWJ (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；27.5% PEG 3350, 20 mM Li2SO4, 0.1M SBG, pH 6.0
|
Resolution 2.20 Å R-free 0.218 |
| 6NPN Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor Deposited 2019-01-18 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | KWJ (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 5 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；27.5% PEG 3350, 20 mM Li2SO4, 0.1M SBG, pH 6.0
|
Resolution 2.20 Å R-free 0.218 |
| 6NPN Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor Deposited 2019-01-18 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | KWJ (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；27.5% PEG 3350, 20 mM Li2SO4, 0.1M SBG, pH 6.0
|
Resolution 2.20 Å R-free 0.218 |
| 6NPN Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor Deposited 2019-01-18 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
Fragment：residues 3-364
|
Mutation：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | KWJ (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；27.5% PEG 3350, 20 mM Li2SO4, 0.1M SBG, pH 6.0
|
Resolution 2.20 Å R-free 0.218 |
| 6VXU Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 Deposited 2020-02-24 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | RTJ (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1 M SBG (each Sodium-tartrate + Bis-Tris + Glycylglycine) pH 6.5
|
Resolution 2.00 Å R-free 0.203 |
| 6VXU Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 Deposited 2020-02-24 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | RTJ (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1 M SBG (each Sodium-tartrate + Bis-Tris + Glycylglycine) pH 6.5
|
Resolution 2.00 Å R-free 0.203 |
| 6VXU Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 Deposited 2020-02-24 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | SO4 SULFATE ION × 3 VBD (7S)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1 M SBG (each Sodium-tartrate + Bis-Tris + Glycylglycine) pH 6.5
|
Resolution 2.00 Å R-free 0.203 |
| 6VXU Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 Deposited 2020-02-24 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | RTJ (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1 M SBG (each Sodium-tartrate + Bis-Tris + Glycylglycine) pH 6.5
|
Resolution 2.00 Å R-free 0.203 |
| 6VZH Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 Deposited 2020-02-28 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；27.5% PEG3350, 300 mM lithium sulfate, 0.1 M sodium tartrate, 0.1 M Bis-Tris, 0.1 M glycylglycine, cryoprotectant: 30% glycerol
|
Resolution 2.55 Å R-free 0.251 |
| 6VZH Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 Deposited 2020-02-28 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | SO4 SULFATE ION × 3 RYA (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；27.5% PEG3350, 300 mM lithium sulfate, 0.1 M sodium tartrate, 0.1 M Bis-Tris, 0.1 M glycylglycine, cryoprotectant: 30% glycerol
|
Resolution 2.55 Å R-free 0.251 |
| 6VZH Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 Deposited 2020-02-28 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；27.5% PEG3350, 300 mM lithium sulfate, 0.1 M sodium tartrate, 0.1 M Bis-Tris, 0.1 M glycylglycine, cryoprotectant: 30% glycerol
|
Resolution 2.55 Å R-free 0.251 |
| 6VZH Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 Deposited 2020-02-28 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | SO4 SULFATE ION × 2 RYA (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；27.5% PEG3350, 300 mM lithium sulfate, 0.1 M sodium tartrate, 0.1 M Bis-Tris, 0.1 M glycylglycine, cryoprotectant: 30% glycerol
|
Resolution 2.55 Å R-free 0.251 |
| 7M10 PHF2 PHD Domain Complexed with Peptide From N-terminus of VRK1 Deposited 2021-03-11 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
2–13（12 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 2 FMT FORMIC ACID × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.2；292 K；3.5M Sodium Formate,100mM TRIS pH 8.2
|
Resolution 1.15 Å R-free 0.165 |
| 7TAN Structure of VRK1 C-terminal tail bound to nucleosome core particle Deposited 2021-12-21 | Assembly 1 Protein–DNA Heteromer；Protein × 10 PDB declaration: dodecameric（12） Consistent with all polymers |
Chain K
1–396（396 aa）
Chain L
1–396（396 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 3.00 Å |
| 8F8Y PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide Deposited 2022-11-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
2–13（12 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 2 SO4 SULFATE ION × 10 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.3；292 K；2.5M Ammonium Sulfate
90mM Bis-Tris Propane, pH 6.3
4% Pentaerythritol ethoxylate (3/4 EO/OH)
|
Resolution 3.06 Å R-free 0.249 |
| 8F8Y PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide Deposited 2022-11-22 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain F
2–13（12 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 2 SO4 SULFATE ION × 10 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.3；292 K；2.5M Ammonium Sulfate
90mM Bis-Tris Propane, pH 6.3
4% Pentaerythritol ethoxylate (3/4 EO/OH)
|
Resolution 3.06 Å R-free 0.249 |
| 8V42 Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 Deposited 2023-11-28 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A | PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 20 mM Li2SO4, 0.1 M Buffer system SBG pH 7.0
|
Resolution 2.30 Å R-free 0.231 |
| 8V42 Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 Deposited 2023-11-28 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A | YD9 (7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 20 mM Li2SO4, 0.1 M Buffer system SBG pH 7.0
|
Resolution 2.30 Å R-free 0.231 |
| 8V42 Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 Deposited 2023-11-28 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 20 mM Li2SO4, 0.1 M Buffer system SBG pH 7.0
|
Resolution 2.30 Å R-free 0.231 |
| 8V42 Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 Deposited 2023-11-28 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
|
Mutation：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A | YD9 (7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 20 mM Li2SO4, 0.1 M Buffer system SBG pH 7.0
|
Resolution 2.30 Å R-free 0.231 |
| 9ZKG VRK1 in complex with the inhibitor MP-60 Deposited 2025-12-06 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–364（362 aa）
|
Mutation：M1A, M2P, K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；303 K；30,25% PEG3350, 0.2 M LiSO4, 0.1M SBG pH 6,5
|
Resolution 2.06 Å R-free 0.216 |
| 9ZKG VRK1 in complex with the inhibitor MP-60 Deposited 2025-12-06 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–364（362 aa）
|
Mutation：M1A, M2P, K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 ACN ACETONE × 1 GG0 2-(2-azanylethanoylamino)ethanoic acid × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；303 K；30,25% PEG3350, 0.2 M LiSO4, 0.1M SBG pH 6,5
|
Resolution 2.06 Å R-free 0.216 |
| 9ZKG VRK1 in complex with the inhibitor MP-60 Deposited 2025-12-06 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
3–364（362 aa）
|
Mutation：M1A, M2P, K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 3 CL CHLORIDE ION × 2 A1C2O (5Z)-3-butyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；303 K；30,25% PEG3350, 0.2 M LiSO4, 0.1M SBG pH 6,5
|
Resolution 2.06 Å R-free 0.216 |
| 9ZKG VRK1 in complex with the inhibitor MP-60 Deposited 2025-12-06 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
3–364（362 aa）
|
Mutation：M1A, M2P, K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 A1C2O (5Z)-3-butyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；303 K；30,25% PEG3350, 0.2 M LiSO4, 0.1M SBG pH 6,5
|
Resolution 2.06 Å R-free 0.216 |