当前蛋白身份：Q99986
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相关结构差异明细
一行代表一个 PDB 条目中的一个 biological assembly；同一蛋白的多个单体会分别列出。
| PDB 条目 | Assembly / 聚集状态 | 构建体 | 突变与修饰 | 配体、离子与非聚合物 | 实验方法 | 实验环境 | 结构质量 |
|---|---|---|---|---|---|---|---|
| 2KTY Solution Structure of human Vaccinia Related Kinase-1 提交 2010-02-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–360（360 aa）
片段：residues 1-360
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.8；298 K；离子强度（mmCIF原始值）20
NMR样品组成
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样品组成
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
|
分辨率未提供 |
| 2KUL Solution structure of human vaccinia related kinase 1(VRK1) 提交 2010-02-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–360（360 aa）
片段：residues 1-360
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.8；298 K；离子强度（mmCIF原始值）20
NMR样品组成
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样品组成
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
|
分辨率未提供 |
| 2LAV NMR solution structure of human Vaccinia-Related Kinase 1 提交 2011-03-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–361（361 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.8；298 K；离子强度（mmCIF原始值）20
NMR样品组成
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样品组成
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
|
分辨率未提供 |
| 2RSV Solution structure of human full-length vaccinia related kinase 1 (VRK1) 提交 2012-07-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–396（396 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7；298 K；离子强度（mmCIF原始值）120；压力 ambient
NMR样品组成
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
|
分辨率未提供 |
| 3OP5 Human vaccinia-related kinase 1 提交 2010-08-31 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：KINASE DOMAIN, RESIDUES 3-369
|
突变：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结晶条件
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
|
分辨率 2.40 Å R-free 0.213 |
| 3OP5 Human vaccinia-related kinase 1 提交 2010-08-31 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：KINASE DOMAIN, RESIDUES 3-369
|
突变：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结晶条件
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
|
分辨率 2.40 Å R-free 0.213 |
| 3OP5 Human vaccinia-related kinase 1 提交 2010-08-31 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：KINASE DOMAIN, RESIDUES 3-369
|
突变：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结晶条件
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
|
分辨率 2.40 Å R-free 0.213 |
| 3OP5 Human vaccinia-related kinase 1 提交 2010-08-31 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：KINASE DOMAIN, RESIDUES 3-369
|
突变：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结晶条件
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
|
分辨率 2.40 Å R-free 0.213 |
| 5UKF Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor 提交 2017-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：UNP residues 3-364
|
未记录 | 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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG 3350; 0.3M AmSO4; 0.1M HEPES pH 7.0
|
分辨率 2.40 Å R-free 0.214 |
| 5UKF Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor 提交 2017-01-22 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：UNP residues 3-364
|
未记录 | 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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG 3350; 0.3M AmSO4; 0.1M HEPES pH 7.0
|
分辨率 2.40 Å R-free 0.214 |
| 5UKF Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor 提交 2017-01-22 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：UNP residues 3-364
|
未记录 | 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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG 3350; 0.3M AmSO4; 0.1M HEPES pH 7.0
|
分辨率 2.40 Å R-free 0.214 |
| 5UKF Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor 提交 2017-01-22 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：UNP residues 3-364
|
未记录 | 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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG 3350; 0.3M AmSO4; 0.1M HEPES pH 7.0
|
分辨率 2.40 Å R-free 0.214 |
| 5UVF Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 提交 2017-02-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：UNP RESIDUES 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG3350, 0.1M BISTRIS, 0.2M, LITHIUM SULFATE, PH 6.5
|
分辨率 2.00 Å R-free 0.204 |
| 5UVF Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 提交 2017-02-20 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：UNP RESIDUES 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG3350, 0.1M BISTRIS, 0.2M, LITHIUM SULFATE, PH 6.5
|
分辨率 2.00 Å R-free 0.204 |
| 5UVF Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 提交 2017-02-20 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：UNP RESIDUES 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG3350, 0.1M BISTRIS, 0.2M, LITHIUM SULFATE, PH 6.5
|
分辨率 2.00 Å R-free 0.204 |
| 5UVF Crystal Structure of the Human vaccinia-related kinase bound to BI-D1870 提交 2017-02-20 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：UNP RESIDUES 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG3350, 0.1M BISTRIS, 0.2M, LITHIUM SULFATE, PH 6.5
|
分辨率 2.00 Å R-free 0.204 |
| 6AC9 Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP 提交 2018-07-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–364（364 aa）
|
突变：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结晶条件
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)
|
分辨率 2.07 Å R-free 0.223 |
| 6AC9 Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP 提交 2018-07-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
1–364（364 aa）
|
突变：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结晶条件
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)
|
分辨率 2.07 Å R-free 0.223 |
| 6AC9 Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP 提交 2018-07-25 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
1–364（364 aa）
|
突变：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结晶条件
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)
|
分辨率 2.07 Å R-free 0.223 |
| 6AC9 Crystal structure of human Vaccinia-related kinase 1 (VRK1) in complex with AMP-PNP 提交 2018-07-25 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
1–364（364 aa）
|
突变：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结晶条件
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)
|
分辨率 2.07 Å R-free 0.223 |
| 6BP0 Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor 提交 2017-11-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
|
突变：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
分辨率 1.90 Å R-free 0.226 |
| 6BP0 Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor 提交 2017-11-21 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
分辨率 1.90 Å R-free 0.226 |
| 6BP0 Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor 提交 2017-11-21 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
分辨率 1.90 Å R-free 0.226 |
| 6BP0 Crystal Structure of the Human vaccinia-related kinase 1 bound to (R)-2-phenylaminopteridinone inhibitor 提交 2017-11-21 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
分辨率 1.90 Å R-free 0.226 |
| 6BRU Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor 提交 2017-12-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
|
突变：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 1.80 Å R-free 0.214 |
| 6BRU Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor 提交 2017-12-01 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 1.80 Å R-free 0.214 |
| 6BRU Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor 提交 2017-12-01 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
|
突变：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 1.80 Å R-free 0.214 |
| 6BRU Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor 提交 2017-12-01 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 1.80 Å R-free 0.214 |
| 6BTW Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor 提交 2017-12-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 1.90 Å R-free 0.215 |
| 6BTW Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor 提交 2017-12-07 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 1.90 Å R-free 0.215 |
| 6BTW Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor 提交 2017-12-07 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 1.90 Å R-free 0.215 |
| 6BTW Crystal Structure of the Human vaccinia-related kinase bound to a phenyl-pteridinone inhibitor 提交 2017-12-07 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 1.90 Å R-free 0.215 |
| 6BU6 Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor 提交 2017-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
分辨率 1.80 Å R-free 0.212 |
| 6BU6 Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor 提交 2017-12-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
分辨率 1.80 Å R-free 0.212 |
| 6BU6 Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor 提交 2017-12-08 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：residues 3-364
|
突变：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
分辨率 1.80 Å R-free 0.212 |
| 6BU6 Crystal Structure of the Human vaccinia-related kinase bound to a bis-difluorophenol-aminopyridine inhibitor 提交 2017-12-08 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350; 0.02M Lithium Sulfate; 0.1M Buffer system SBG pH 7.0
|
分辨率 1.80 Å R-free 0.212 |
| 6CFM Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor 提交 2018-02-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 2.45 Å R-free 0.245 |
| 6CFM Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor 提交 2018-02-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 2.45 Å R-free 0.245 |
| 6CFM Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor 提交 2018-02-15 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：residues 3-364
|
突变：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 2.45 Å R-free 0.245 |
| 6CFM Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor 提交 2018-02-15 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；22% PEG3350, 0.02M Lithium Sulfate, 0.1M Buffer system SBG pH 7.0
|
分辨率 2.45 Å R-free 0.245 |
| 6CMM Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor 提交 2018-03-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：residues 3-364
|
突变：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ACT ACETATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30.25% PEG3350, 200 mM LiSO4, 0.1M SBG buffer pH 6.5
|
分辨率 2.10 Å R-free 0.222 |
| 6CMM Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor 提交 2018-03-05 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30.25% PEG3350, 200 mM LiSO4, 0.1M SBG buffer pH 6.5
|
分辨率 2.10 Å R-free 0.222 |
| 6CMM Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor 提交 2018-03-05 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：residues 3-364
|
突变：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | ACT ACETATE ION × 2 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30.25% PEG3350, 200 mM LiSO4, 0.1M SBG buffer pH 6.5
|
分辨率 2.10 Å R-free 0.222 |
| 6CMM Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor 提交 2018-03-05 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30.25% PEG3350, 200 mM LiSO4, 0.1M SBG buffer pH 6.5
|
分辨率 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 提交 2018-03-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30.25% PEG3350, 30mM LiSO4, 0.1M SBG (Sodium-tartrate, Bis-Tris, Glycylglycine)
|
分辨率 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 提交 2018-03-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30.25% PEG3350, 30mM LiSO4, 0.1M SBG (Sodium-tartrate, Bis-Tris, Glycylglycine)
|
分辨率 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 提交 2018-03-09 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30.25% PEG3350, 30mM LiSO4, 0.1M SBG (Sodium-tartrate, Bis-Tris, Glycylglycine)
|
分辨率 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 提交 2018-03-09 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；30.25% PEG3350, 30mM LiSO4, 0.1M SBG (Sodium-tartrate, Bis-Tris, Glycylglycine)
|
分辨率 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 提交 2018-03-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；25% PEG3350, 300 mM LiSO4, 0.1M SBG, pH 6.0, 30% glycerol
|
分辨率 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 提交 2018-03-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；25% PEG3350, 300 mM LiSO4, 0.1M SBG, pH 6.0, 30% glycerol
|
分辨率 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 提交 2018-03-15 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：residues 3-364
|
突变：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；25% PEG3350, 300 mM LiSO4, 0.1M SBG, pH 6.0, 30% glycerol
|
分辨率 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 提交 2018-03-15 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；25% PEG3350, 300 mM LiSO4, 0.1M SBG, pH 6.0, 30% glycerol
|
分辨率 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 提交 2018-03-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1M SBG pH 7.0
|
分辨率 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 提交 2018-03-21 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1M SBG pH 7.0
|
分辨率 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 提交 2018-03-21 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1M SBG pH 7.0
|
分辨率 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 提交 2018-03-21 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350; 300 mM LiSO4; 0.1M SBG pH 7.0
|
分辨率 2.25 Å R-free 0.233 |
| 6DD4 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor 提交 2018-05-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：residues 3-364
|
突变：K34A, K35A, E36A, E212A, K214A, E215A, E292A, K293A, K295A, K359A, K360A | CL CHLORIDE ION × 5 ACT ACETATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350, 200 mM LiSO4, 0.1M SBG, pH 7.0
|
分辨率 2.10 Å R-free 0.226 |
| 6DD4 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor 提交 2018-05-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350, 200 mM LiSO4, 0.1M SBG, pH 7.0
|
分辨率 2.10 Å R-free 0.226 |
| 6DD4 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor 提交 2018-05-09 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350, 200 mM LiSO4, 0.1M SBG, pH 7.0
|
分辨率 2.10 Å R-free 0.226 |
| 6DD4 Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor 提交 2018-05-09 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；27.5% PEG3350, 200 mM LiSO4, 0.1M SBG, pH 7.0
|
分辨率 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 提交 2019-01-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；27.5% PEG 3350, 20 mM Li2SO4, 0.1M SBG, pH 6.0
|
分辨率 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 提交 2019-01-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；27.5% PEG 3350, 20 mM Li2SO4, 0.1M SBG, pH 6.0
|
分辨率 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 提交 2019-01-18 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；27.5% PEG 3350, 20 mM Li2SO4, 0.1M SBG, pH 6.0
|
分辨率 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 提交 2019-01-18 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
片段：residues 3-364
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；27.5% PEG 3350, 20 mM Li2SO4, 0.1M SBG, pH 6.0
|
分辨率 2.20 Å R-free 0.218 |
| 6VXU Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 提交 2020-02-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
|
突变：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结晶条件
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
|
分辨率 2.00 Å R-free 0.203 |
| 6VXU Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 提交 2020-02-24 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
|
突变：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结晶条件
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
|
分辨率 2.00 Å R-free 0.203 |
| 6VXU Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 提交 2020-02-24 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
|
突变：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结晶条件
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
|
分辨率 2.00 Å R-free 0.203 |
| 6VXU Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 提交 2020-02-24 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
|
突变：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结晶条件
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
|
分辨率 2.00 Å R-free 0.203 |
| 6VZH Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 提交 2020-02-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
|
突变：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 2.55 Å R-free 0.251 |
| 6VZH Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 提交 2020-02-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
|
突变：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结晶条件
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
|
分辨率 2.55 Å R-free 0.251 |
| 6VZH Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 提交 2020-02-28 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
|
突变：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A,K359A,K360A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 2.55 Å R-free 0.251 |
| 6VZH Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 提交 2020-02-28 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
|
突变：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结晶条件
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
|
分辨率 2.55 Å R-free 0.251 |
| 7M10 PHF2 PHD Domain Complexed with Peptide From N-terminus of VRK1 提交 2021-03-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
2–13（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 2 FMT FORMIC ACID × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.2；292 K；3.5M Sodium Formate,100mM TRIS pH 8.2
|
分辨率 1.15 Å R-free 0.165 |
| 7TAN Structure of VRK1 C-terminal tail bound to nucleosome core particle 提交 2021-12-21 | Assembly 1 蛋白–DNA 异源复合物；蛋白 × 10 PDB 声明：dodecameric（12） 与全部聚合物一致 |
链 K
1–396（396 aa）
链 L
1–396（396 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE-PROPANE
|
分辨率 3.00 Å |
| 8F8Y PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide 提交 2022-11-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 E
2–13（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 2 SO4 SULFATE ION × 10 | X-RAY DIFFRACTION |
X-ray结晶条件
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)
|
分辨率 3.06 Å R-free 0.249 |
| 8F8Y PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide 提交 2022-11-22 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 F
2–13（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 2 SO4 SULFATE ION × 10 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
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)
|
分辨率 3.06 Å R-free 0.249 |
| 8V42 Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 提交 2023-11-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
|
突变：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A | PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 20 mM Li2SO4, 0.1 M Buffer system SBG pH 7.0
|
分辨率 2.30 Å R-free 0.231 |
| 8V42 Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 提交 2023-11-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 20 mM Li2SO4, 0.1 M Buffer system SBG pH 7.0
|
分辨率 2.30 Å R-free 0.231 |
| 8V42 Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 提交 2023-11-28 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
|
突变：K34A,K35A,E36A,E212A,K214A,E215A,E292A,K293A,K295A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 20 mM Li2SO4, 0.1 M Buffer system SBG pH 7.0
|
分辨率 2.30 Å R-free 0.231 |
| 8V42 Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to ACH000400 提交 2023-11-28 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；22% PEG3350, 20 mM Li2SO4, 0.1 M Buffer system SBG pH 7.0
|
分辨率 2.30 Å R-free 0.231 |
| 9ZKG VRK1 in complex with the inhibitor MP-60 提交 2025-12-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；303 K；30,25% PEG3350, 0.2 M LiSO4, 0.1M SBG pH 6,5
|
分辨率 2.06 Å R-free 0.216 |
| 9ZKG VRK1 in complex with the inhibitor MP-60 提交 2025-12-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；303 K；30,25% PEG3350, 0.2 M LiSO4, 0.1M SBG pH 6,5
|
分辨率 2.06 Å R-free 0.216 |
| 9ZKG VRK1 in complex with the inhibitor MP-60 提交 2025-12-06 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；303 K；30,25% PEG3350, 0.2 M LiSO4, 0.1M SBG pH 6,5
|
分辨率 2.06 Å R-free 0.216 |
| 9ZKG VRK1 in complex with the inhibitor MP-60 提交 2025-12-06 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
3–364（362 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；303 K；30,25% PEG3350, 0.2 M LiSO4, 0.1M SBG pH 6,5
|
分辨率 2.06 Å R-free 0.216 |