当前蛋白身份：Q02750
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差异标签只比较当前检索结果；所有PDB和assembly原始记录仍分别保留。
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 |
|---|---|---|---|---|---|---|---|
| 1S9J X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP 提交 2004-02-04 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
61–392（332 aa）
|
未记录 | MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 BBM 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5；288 K；PEG8K, Ammonium phosphate, Imidazole-malate, DTT, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 288K
|
分辨率 2.40 Å R-free 0.269 |
| 2P55 X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP 提交 2007-03-14 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–393（332 aa）
|
未记录 | MG MAGNESIUM ION × 2 MRA 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.80 Å R-free 0.301 |
| 3DV3 MEK1 with PF-04622664 Bound 提交 2008-07-18 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–382（321 aa）
片段：UNP residues 62-382
|
未记录 | MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MEK 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
|
分辨率 2.30 Å R-free 0.221 |
| 3DV3 MEK1 with PF-04622664 Bound 提交 2008-07-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–382（321 aa）
片段：UNP residues 62-382
|
未记录 | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MEK 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
|
分辨率 2.30 Å R-free 0.221 |
| 3DY7 X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP 提交 2008-07-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：Protein Kinase Domain, UNP residues 62-393
|
未记录 | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 1CX (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5；288 K；PEG8K, Ammonium phosphate, Imidazole-malate, DTT, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 288K
|
分辨率 2.70 Å R-free 0.269 |
| 3E8N X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a potent inhibitor RDEA119 and MgATP 提交 2008-08-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–393（332 aa）
|
未记录 | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 VRA N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；20 mM HEPES, 150 mM NH4H2PO4, 0.5 mM EDTA, 2 mM TCEP, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.50 Å R-free 0.252 |
| 3E8N X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a potent inhibitor RDEA119 and MgATP 提交 2008-08-20 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–393（332 aa）
|
未记录 | MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 VRA N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；20 mM HEPES, 150 mM NH4H2PO4, 0.5 mM EDTA, 2 mM TCEP, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.50 Å R-free 0.252 |
| 3EQB X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP 提交 2008-09-30 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–393（332 aa）
|
未记录 | ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2 LUG N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine × 2 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.62 Å R-free 0.264 |
| 3EQC X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P 提交 2008-09-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | 3BM 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide × 1 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 1.80 Å R-free 0.235 |
| 3EQC X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P 提交 2008-09-30 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | 3BM 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide × 2 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 1.80 Å R-free 0.235 |
| 3EQD X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P 提交 2008-09-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 2.10 Å |
| 3EQD X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P 提交 2008-09-30 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 2.10 Å |
| 3EQF X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with K252A and MG2P 提交 2008-09-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | KSA K-252A × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 2.70 Å |
| 3EQF X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with K252A and MG2P 提交 2008-09-30 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | KSA K-252A × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 2.70 Å |
| 3EQG X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with PD, ADP AND MG2P 提交 2008-09-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 4BM N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 2.50 Å R-free 0.273 |
| 3EQG X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with PD, ADP AND MG2P 提交 2008-09-30 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 2 NA SODIUM ION × 2 4BM N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 2.50 Å R-free 0.273 |
| 3EQH X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P 提交 2008-09-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | 5BM (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 2.00 Å |
| 3EQH X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P 提交 2008-09-30 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | 5BM (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 2.00 Å |
| 3EQI X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ADP and MG2P 提交 2008-09-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 CA CALCIUM ION × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 1.90 Å |
| 3EQI X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ADP and MG2P 提交 2008-09-30 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：Protein kinase domain, UNP residues 35-393
|
突变：S265N, S266K, Y267F | ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 CA CALCIUM ION × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K
|
分辨率 1.90 Å |
| 3MBL Crystal Structure of the human mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgADP 提交 2010-03-25 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–382（321 aa）
片段：Kinase Domain
|
未记录 | ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 LSG 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 2.60 Å R-free 0.215 |
| 3MBL Crystal Structure of the human mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgADP 提交 2010-03-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–382（321 aa）
片段：Kinase Domain
|
未记录 | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 LSG 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
分辨率 2.60 Å R-free 0.215 |
| 3ORN Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP 提交 2010-09-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–270（209 aa）
片段：UNP RESIDUES 62-270, 303-393
链 A
303–393（91 aa）
片段：UNP RESIDUES 62-270, 303-393
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 3OR 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide × 1 PGE TRIETHYLENE GLYCOL × 1 SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；2M Ammonium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.80 Å R-free 0.277 |
| 3ORN Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP 提交 2010-09-07 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–270（209 aa）
片段：UNP RESIDUES 62-270, 303-393
链 A
303–393（91 aa）
片段：UNP RESIDUES 62-270, 303-393
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 3OR 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide × 2 PGE TRIETHYLENE GLYCOL × 2 SO4 SULFATE ION × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；2M Ammonium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.80 Å R-free 0.277 |
| 3OS3 Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP 提交 2010-09-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–270（209 aa）
片段：UNP RESIDUES 62-270, 303-393
链 A
303–393（91 aa）
片段：UNP RESIDUES 62-270, 303-393
|
未记录 | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 3OS 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.2；277 K；7.5-10% PEG 8000, 0.2M NaCl, 0.2M Ammonium sulfate, 0.1M citrate buffer, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.80 Å R-free 0.356 |
| 3OS3 Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP 提交 2010-09-08 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–270（209 aa）
片段：UNP RESIDUES 62-270, 303-393
链 A
303–393（91 aa）
片段：UNP RESIDUES 62-270, 303-393
|
未记录 | ATP ADENOSINE-5'-TRIPHOSPHATE × 2 3OS 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.2；277 K；7.5-10% PEG 8000, 0.2M NaCl, 0.2M Ammonium sulfate, 0.1M citrate buffer, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.80 Å R-free 0.356 |
| 3PP1 Crystal Structure of the Human Mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgATP 提交 2010-11-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–382（321 aa）
片段：kinase domain
|
未记录 | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 IZG 3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione × 1 ACT ACETATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；10% MPD, 0.1M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 2.70 Å R-free 0.219 |
| 3SLS Crystal Structure of human MEK-1 kinase in complex with UCB1353770 and AMPPNP 提交 2011-06-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
45–383（339 aa）
片段：MEK-1 F11 fragment
|
突变：delta 264-307 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 77D 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；18% PEG-3350, 200mM Ammonium fluoride, 4% Glycerol, 10mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
分辨率 2.30 Å R-free 0.287 |
| 3SLS Crystal Structure of human MEK-1 kinase in complex with UCB1353770 and AMPPNP 提交 2011-06-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
45–383（339 aa）
片段：MEK-1 F11 fragment
|
突变：delta 264-307 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 77D 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；18% PEG-3350, 200mM Ammonium fluoride, 4% Glycerol, 10mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
分辨率 2.30 Å R-free 0.287 |
| 3V01 Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. 提交 2011-12-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：UNP residues 62-393
|
未记录 | 3V0 N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.2；286 K；16-20% w/v PEG8K, 0.1M HEPES, 250mM NH4H2PO4, 1mM TCEP, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 286K
|
分辨率 2.71 Å R-free 0.240 |
| 3V04 Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. 提交 2011-12-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：UNP residues 62-393
|
未记录 | V04 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.2；286 K；16-20 %w/v PEG8K, 0.1M HEPES, 250mM NH4H2PO4, 1mM TCEP, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 286K
|
分辨率 2.70 Å R-free 0.243 |
| 3VVH X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP 提交 2012-07-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：UNP RESIDUES 62-393
|
未记录 | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 4BM N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；279 K；PEG 4000, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 279K
|
分辨率 2.00 Å R-free 0.225 |
| 3VVH X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP 提交 2012-07-24 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
62–393（332 aa）
片段：UNP RESIDUES 62-393
|
未记录 | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 4BM N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；279 K；PEG 4000, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 279K
|
分辨率 2.00 Å R-free 0.225 |
| 3VVH X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP 提交 2012-07-24 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
62–393（332 aa）
片段：UNP RESIDUES 62-393
|
未记录 | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 4BM N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；279 K；PEG 4000, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 279K
|
分辨率 2.00 Å R-free 0.225 |
| 3W8Q Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) 提交 2013-03-20 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
39–382（344 aa）
片段：kinase domain, UNP residues 39-382
|
突变：T292A, S298A | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；16%(w/v) PEG 3350, 0.1M ammonium citrate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K
|
分辨率 2.20 Å R-free 0.268 |
| 3WIG Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP 提交 2013-09-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–270（209 aa）
链 A
303–393（91 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 PG4 TETRAETHYLENE GLYCOL × 1 CL CHLORIDE ION × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；7.5-10% PEG 8000, 0.2M NaCl, 0.2M Ammonium sulfate, 0.1M citrate buffer, pH 4.2, vapor diffusion, sitting drop, temperature 277K
|
分辨率 2.70 Å R-free 0.250 |
| 3WIG Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP 提交 2013-09-12 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–270（209 aa）
链 A
303–393（91 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 2 PG4 TETRAETHYLENE GLYCOL × 2 CL CHLORIDE ION × 10 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 4.2；277 K；7.5-10% PEG 8000, 0.2M NaCl, 0.2M Ammonium sulfate, 0.1M citrate buffer, pH 4.2, vapor diffusion, sitting drop, temperature 277K
|
分辨率 2.70 Å R-free 0.250 |
| 3ZLS Crystal structure of MEK1 in complex with fragment 6 提交 2013-02-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–383（347 aa）
片段：RESIDUES 37-383
|
突变：YES | 92P 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.7；pH 7.7
|
分辨率 2.50 Å R-free 0.234 |
| 3ZLW Crystal structure of MEK1 in complex with fragment 3 提交 2013-02-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–383（347 aa）
|
突变：YES | MT8 (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.7；pH 7.7
|
分辨率 2.12 Å R-free 0.248 |
| 3ZLX Crystal structure of MEK1 in complex with fragment 18 提交 2013-02-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–383（347 aa）
|
突变：YES | 5EZ 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.7；Appropriate single crystals were grown using this set-up in PEG 4000 18%, Tris 100mM pH7.7, DMSO 2% and CaCl2 0.2M and were extracted from the low volume drops, cryo-protected in mother liquor with 20% glycerol and flash cooled for synchrotron collection
|
分辨率 2.20 Å R-free 0.236 |
| 3ZLY Crystal structure of MEK1 in complex with fragment 8 提交 2013-02-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–383（347 aa）
片段：RESIDUES 37-383
|
突变：YES | YSO 3-AMINO-1H-INDAZOLE-4-CARBONITRILE × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.7；Appropriate single crystals were grown using this set-up in PEG 4000 18%, Tris 100mM pH7.7, DMSO 2% and CaCl2 0.2M and were extracted from the low volume drops, cryo-protected in mother liquor with 20% glycerol and flash cooled for synchrotron collection
|
分辨率 2.11 Å R-free 0.248 |
| 3ZM4 Crystal structure of MEK1 in complex with fragment 1 提交 2013-02-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–383（347 aa）
片段：RESIDUES 37-383
|
突变：YES | 22T 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.7；Appropriate single crystals were grown using this set-up in PEG 4000 18%, Tris 100mM pH7.7, DMSO 2% and CaCl2 0.2M and were extracted from the low volume drops, cryo-protected in mother liquor with 20% glycerol and flash cooled for synchrotron collection
|
分辨率 2.37 Å R-free 0.241 |
| 4AN2 Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. 提交 2012-03-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
61–262（202 aa）
片段：PROTEIN KINASE DOMAIN, RESIDUES 61-262,305-392
链 A
305–392（88 aa）
片段：PROTEIN KINASE DOMAIN, RESIDUES 61-262,305-392
|
突变：YES 突变：YES | EUI [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE × 1 ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.9；MEK1 (8 MG/ML) WAS INCUBATED WITH INHIBITOR (300 MICROMOLAR FINAL CONCENTRATION) AND AMPPCP (2.8 MM FINAL CONCENTRATION) FOR TWO HOURS ON ICE, FOLLOWED BY CRYSTALLIZION VS. 26.5% PEG-2000 MME, 0.1 M TRIMETHYLAMINE N- OXIDE AND 0.1 M TRIS (PH 8.9)
|
分辨率 2.50 Å R-free 0.299 |
| 4AN3 Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. 提交 2012-03-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
61–262（202 aa）
片段：PROTEIN KINASE DOMAIN, RESIDUES 61-262,305-392
链 A
305–392（88 aa）
片段：PROTEIN KINASE DOMAIN, RESIDUES 61-262,305-392
|
突变：YES 突变：YES | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 5Y0 N-[(2S)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.9；SITTING DROP VAPOR DIFFUSION VS. 26.5 % PEG-2000 MME, 0.1 M TRIMETHYLAMINE N-OXIDE, 0.1 M TRIS (PH 8.9)
|
分辨率 2.10 Å R-free 0.283 |
| 4AN9 Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. 提交 2012-03-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
61–262（202 aa）
片段：PROTEIN KINASE DOMAIN, RESIDUES 61-262,305-392
链 A
305–392（88 aa）
片段：PROTEIN KINASE DOMAIN, RESIDUES 61-262,305-392
|
突变：YES 突变：YES | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 2P7 [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-(3-OXIDANYLAZETIDIN-1-YL)METHANONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.9；SITTING DROP VAPOR-DIFFUSION VS. 26.5 % PEG-2000 MME, 0.1 M TRIMETHYLAMINE N-OXIDE, 0.1 M TRIS (PH 8.9)
|
分辨率 2.80 Å R-free 0.313 |
| 4ANB Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. 提交 2012-03-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
61–262（202 aa）
片段：PROTEIN KINASE DOMAIN, RESIDUES 61-262,305-392
链 A
305–392（88 aa）
片段：PROTEIN KINASE DOMAIN, RESIDUES 61-262,305-392
|
突变：YES 突变：YES | YQY [3-(AMINOMETHYL)-3-OXIDANYL-AZETIDIN-1-YL]-[3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]METHANONE × 1 ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.9；SITTING DROP VAPOR DIFFUSION VS. 26.5 % PEG-2000 MME, 0.1 M TRIMETHYLAMINE N-OXIDE, 0.1 M TRIS (PH 8.9)
|
分辨率 2.20 Å R-free 0.296 |
| 4ARK CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MAP KINASE KINASE 1 (MEK1) IN COMPLEX WITH A SMALL MOLECULE INHIBITOR AND ADP 提交 2012-04-24 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：CATALYTIC DOMAIN, RESIDUES 62-393
|
未记录 | ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 M3K 2-([3R-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
0.1 M IMIDAZOLE-MALATE, 300 MM(NH4)H2PO4, 13% PEG 8000, PH 5.8
|
分辨率 2.60 Å R-free 0.211 |
| 4LMN Crystal Structure of MEK1 kinase bound to GDC0973 提交 2013-07-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：Kinase domain (UNP residues 62-393)
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 EUI [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；291 K；12% w/v PEG 8000, 0.4M NH4H2PO4, 0.1M HEPES, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.80 Å R-free 0.233 |
| 4LMN Crystal Structure of MEK1 kinase bound to GDC0973 提交 2013-07-10 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：Kinase domain (UNP residues 62-393)
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 EUI [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；291 K；12% w/v PEG 8000, 0.4M NH4H2PO4, 0.1M HEPES, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.80 Å R-free 0.233 |
| 4MNE Crystal structure of the BRAF:MEK1 complex 提交 2013-09-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：UNP residues 62-393
链 D
62–393（332 aa）
片段：UNP residues 62-393
|
未记录 | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 573 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；20% PEG8000, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
分辨率 2.85 Å R-free 0.240 |
| 4MNE Crystal structure of the BRAF:MEK1 complex 提交 2013-09-10 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
62–393（332 aa）
片段：UNP residues 62-393
链 H
62–393（332 aa）
片段：UNP residues 62-393
|
未记录 | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 573 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide × 3 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；20% PEG8000, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
|
分辨率 2.85 Å R-free 0.240 |
| 4U7Z Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 提交 2014-07-31 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：kinase domain (UNP residues 62-393)
|
未记录 | MG MAGNESIUM ION × 1 3EW 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；291 K；The protein was concentrated to 15mg/ml and incubated with 10 fold molar excess inhibitor plus 1mM MgAMP-PNP before crystallization. MEK1 crystals grew from hanging drop vapor diffusion using 12% w/v PEG 8000, 0.4M NH4H2PO4 and 0.1M HEPES pH 6.9 at 18 degC.
|
分辨率 2.81 Å R-free 0.214 |
| 4U80 MEK 1 kinase bound to G799 提交 2014-07-31 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：Kinase domain (UNP residues 62-393)
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 3EX 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；291 K；The protein was concentrated to 15mg/m1 and incubated with 10 fold molar excess inhibitor plus 1mM MgAMP-PNP before crystallization. MEK1 crystals grew from hanging drop vapor diffusion using 12% w/v PEG 8000, 0.4M NH4H2PO4 and 0.1M HEPES pH 6.9 at 18 degC
.
|
分辨率 2.80 Å R-free 0.224 |
| 4U81 MEK1 Kinase bound to small molecule inhibitor G659 提交 2014-07-31 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
62–393（332 aa）
片段：Kinase domain (UNP residues 62-393)
|
未记录 | MG MAGNESIUM ION × 1 3EY 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.9；291 K；The protein was concentrated to 15mg/ml and incubated with 10 fold molar excess inhibitor plus 1mM MgAMP-PNP before crystallization. MEK1 crystals grew from hanging drop vapor diffusion using 12% w/v PEG 8000, 0.4M NH4H2PO4 and 0.1M HEPES pH 6.9 at 18 degC.
|
分辨率 2.70 Å R-free 0.218 |
| 5BX0 An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery 提交 2015-06-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–383（347 aa）
片段：residues 37-383
|
未记录 | 4W5 ethyl 2H-indazole-5-carboxylate × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 7.65；277 K；PEG4000 20%
CaCl2 200mM
Glycerol 25%
ph7.7
|
分辨率 2.93 Å R-free 0.252 |
| 5EYM MEK1 IN COMPLEX WITH BI 847325 提交 2015-11-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
35–393（359 aa）
片段：UNP residues 35-393
|
突变：S298N, S299K, Y300F | 5U5 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide × 1 CA CALCIUM ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；18 % PEG 4000, 100 mM Tris, 300 mM NaCl
|
分辨率 2.70 Å R-free 0.308 |
| 5EYM MEK1 IN COMPLEX WITH BI 847325 提交 2015-11-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
35–393（359 aa）
片段：UNP residues 35-393
|
突变：S298N, S299K, Y300F | 5U5 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；18 % PEG 4000, 100 mM Tris, 300 mM NaCl
|
分辨率 2.70 Å R-free 0.308 |
| 5HZE Mek1 adopts DFG-out conformation when bound to an analog of E6201. 提交 2016-02-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–383（347 aa）
|
突变：S298N, S299K, Y300F | E62 (3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione × 1 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1 M Tris pH 8.0, 180 mM CaCl2, 14-18% PEG 4000. Co-crystallized with 1mM ATPgammaS (30 mM stock formulated in H2O). Crystals backsoaked for 2 weeks in 1 mM compound 3.3% DMSO final.
|
分辨率 2.40 Å R-free 0.287 |
| 5YT3 Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 S218D and S222D mutant 提交 2017-11-16 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
39–382（344 aa）
链 B
39–382（344 aa）
|
突变：S218D,S222D,T292A,S298A 突变：S218D,S222D,T292A,S298A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M HEPES, 12%(w/v) PEG3350, 0.1M ammonium citrate,
|
分辨率 2.90 Å R-free 0.289 |
| 5YT3 Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 S218D and S222D mutant 提交 2017-11-16 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 C
39–382（344 aa）
链 D
39–382（344 aa）
|
突变：S218D,S222D,T292A,S298A 突变：S218D,S222D,T292A,S298A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M HEPES, 12%(w/v) PEG3350, 0.1M ammonium citrate,
|
分辨率 2.90 Å R-free 0.289 |
| 6NYB Structure of a MAPK pathway complex 提交 2019-02-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
1–393（393 aa）
|
突变：S218A, S222A | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 ZN ZINC ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.4
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 4.10 Å |
| 6PP9 Crystal structure of BRAF:MEK1 complex 提交 2019-07-05 | 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
1–393（393 aa）
|
突变：S218A, S222A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；293 K；100 mM Bis-Tris pH 6.4, 200 mM Ammonium Sulfate, and 22% PEG3350
|
分辨率 2.59 Å R-free 0.245 |
| 6Q0J Structure of a MAPK pathway complex 提交 2019-08-01 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 C
1–393（393 aa）
链 D
1–393（393 aa）
|
突变：S218A, S222A 突变：S218A, S222A | MG MAGNESIUM ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 2 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 4.90 Å |
| 6Q0T Structure of a MAPK pathway complex 提交 2019-08-02 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 C
1–392（392 aa）
|
突变：S218A, S222A | MG MAGNESIUM ION × 1 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 5.70 Å |
| 6U2G BRAF-MEK complex with AMP-PCP bound to BRAF 提交 2019-08-19 | 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 A
2–393（392 aa）
|
未记录 | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Ammonium sulfate, MES, PEK 8000
|
分辨率 2.89 Å R-free 0.276 |
| 6V2W Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP 提交 2019-11-25 | 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
1–393（393 aa）
|
突变：S218A, S222A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Bis-Tris pH 8.5, 200 mM Lithium Sulfate, and 22% PEG3350
|
分辨率 3.12 Å R-free 0.237 |
| 6X2P Crystal Structure of the Mek1NES peptide bound to CRM1 提交 2020-05-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 D
28–44（17 aa）
片段：residues 28-44
|
未记录 | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；273 K；17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl
|
分辨率 2.40 Å R-free 0.252 |
| 6X2S Crystal Structure of Mek1(NQ)NES peptide bound to CRM 提交 2020-05-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 D
29–44（16 aa）
片段：residues 29-44
|
突变：D43N, E44Q | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；273 K；17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl
|
分辨率 2.50 Å R-free 0.246 |
| 6X2X Crystal Structure of Mek1NES peptide bound to CRM1(E571K) 提交 2020-05-21 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 D
29–44（16 aa）
片段：residues 29-44
|
未记录 | GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；273 K；17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl
|
分辨率 2.46 Å R-free 0.250 |
| 7B3M MEK1 in complex with compound 6 提交 2020-12-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–263（227 aa）
链 A
308–383（76 aa）
|
未记录 | MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 SU5 1~{H}-indol-2-yl(pyridin-3-yl)methanone × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；MEK1 was prepared in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 5% glycerol and 1 mM TCEP at a concentration of 10 mg/ml mixed with 2 mM MgCl2 and 2 mM AMP-PNP, and incubated at room temperature for 30 minutes. Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2 at room temperature.
|
分辨率 2.30 Å R-free 0.268 |
| 7B3M MEK1 in complex with compound 6 提交 2020-12-01 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
37–263（227 aa）
链 B
308–383（76 aa）
|
未记录 | MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 SU5 1~{H}-indol-2-yl(pyridin-3-yl)methanone × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；MEK1 was prepared in buffer containing 25 mM Tris pH 7.5, 150 mM NaCl, 5% glycerol and 1 mM TCEP at a concentration of 10 mg/ml mixed with 2 mM MgCl2 and 2 mM AMP-PNP, and incubated at room temperature for 30 minutes. Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2 at room temperature.
|
分辨率 2.30 Å R-free 0.268 |
| 7B7R MEK1 in complex with compound 4 提交 2020-12-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–263（227 aa）
链 A
308–383（76 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 T1K 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2
|
分辨率 1.70 Å R-free 0.218 |
| 7B7R MEK1 in complex with compound 4 提交 2020-12-11 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
37–263（227 aa）
链 B
308–383（76 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 T1K 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol × 1 SO4 SULFATE ION × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2
|
分辨率 1.70 Å R-free 0.218 |
| 7B94 MEK1 in complex with compound 6 提交 2020-12-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–263（227 aa）
链 A
308–383（76 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 T3W 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2
|
分辨率 2.00 Å R-free 0.265 |
| 7B94 MEK1 in complex with compound 6 提交 2020-12-14 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
37–263（227 aa）
链 B
308–383（76 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 T3W 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2
|
分辨率 2.00 Å R-free 0.265 |
| 7B9L MEK1 in complex with compound 23 提交 2020-12-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–263（227 aa）
链 A
308–383（76 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 T4N ~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2
|
分辨率 1.70 Å R-free 0.214 |
| 7B9L MEK1 in complex with compound 23 提交 2020-12-14 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
37–263（227 aa）
链 B
308–383（76 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 T4N ~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；Crystals were obtained from hanging drops by mixing a 1:1 ratio of protein solution with well solution containing 2 M AmSO4, 0.1 M NaCl and 0.1 M Bis-tris pH 6.1-6.2
|
分辨率 1.70 Å R-free 0.214 |
| 7M0T Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Selumetinib 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
1–393（393 aa）
|
突变：S218A, S222A | 3EW 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3350
|
分辨率 3.19 Å R-free 0.254 |
| 7M0U Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Binimetinib 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
1–393（393 aa）
|
突变：S218A, S222A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 QO7 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Bis-Tris pH 8.5, 200 mM Lithium Sulfate, and 22% PEG3350
|
分辨率 3.09 Å R-free 0.230 |
| 7M0V Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib 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
1–393（393 aa）
|
突变：S218A, S222A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 EUI [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3,350
|
分辨率 3.16 Å R-free 0.234 |
| 7M0W Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Pimasertib 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
1–393（393 aa）
|
突变：S218A, S222A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 QOA N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3,350
|
分辨率 3.09 Å R-free 0.233 |
| 7M0X Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and PD0325901 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
1–393（393 aa）
|
突变：S218A, S222A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 1 4BM N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.4；293 K；100 mM Bis-Tris pH 6.4, 200 mM Ammonium Sulfate, and 22% PEG3350
|
分辨率 2.47 Å R-free 0.215 |
| 7M0Y Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib 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
1–393（393 aa）
|
突变：S218A, S222A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 QOM Trametinib × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3,350
|
分辨率 3.45 Å R-free 0.218 |
| 7M0Z Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and CH5126766 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
1–393（393 aa）
|
突变：S218A, S222A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3,350
|
分辨率 3.12 Å R-free 0.225 |
| 7MFD Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved 提交 2021-04-09 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
1–393（393 aa）
|
未记录 | ZN ZINC ION × 2 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.66 Å |
| 7PQV MEK1 IN COMPLEX WITH COMPOUND 7 提交 2021-09-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
39–382（344 aa）
片段：KINASE DOMAIN
|
未记录 | 80C 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline × 1 CA CALCIUM ION × 2 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
BATCH MODE；310 K；The purified protein was used in crystallisation trials employing both, a standard screen with approximately 1200 different conditions, as well as crystallisation conditions identified using literature data. Condi- tions initially obtained have been optimised using standard strategies, systematically varying parameters critically influencing crystallisation, such as temperature, protein concentration, drop ratio, and others. These conditions were also refined by systematically varying pH or precipitant concentrations.
|
分辨率 2.13 Å R-free 0.287 |
| 7UMB NanoBRET tracer Tram-bo bound to a KSR2-MEK1 complex 提交 2022-04-06 | 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 C
35–393（359 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 U9F {3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；PEG 2000, MES, pH 6.5, Magnesium acetate
|
分辨率 3.23 Å R-free 0.268 |
| 7XLP MEK1 bound to DS03090629 提交 2022-04-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–383（347 aa）
|
突变：S298N, S299K, Y300K | FZC (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.75；277 K；100 mM Tris (pH 7.75), 200 mM calcium chloride, 2% DMSO, 18-20% PEG 3350
|
分辨率 2.10 Å R-free 0.246 |
| 7XNC MEK1 bound to DS94070624 提交 2022-04-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–383（347 aa）
|
突变：S298N, S299K, Y300K | GIK ~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide × 1 DMS DIMETHYL SULFOXIDE × 1 CA CALCIUM ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.75；277 K；100 mM Tris (pH 7.75), 200 mM calcium chloride, 2% DMSO, 18-20% PEG 3350
|
分辨率 2.10 Å R-free 0.251 |
| 8CHF cryo-EM Structure of Craf:14-3-3:Mek1 提交 2023-02-07 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 E
1–393（393 aa）
链 F
1–393（393 aa）
|
未记录 | 29L 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol × 2 | 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 4.25 Å |
| 8DGS Cryo-EM structure of a RAS/RAF complex (state 1) 提交 2022-06-24 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 B
1–392（392 aa）
|
未记录 | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 ZN ZINC ION × 2 MG MAGNESIUM ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 4.30 Å |
| 8DGT Cryo-EM structure of a RAS/RAF complex (state 2) 提交 2022-06-24 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 B
1–392（392 aa）
|
未记录 | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 ZN ZINC ION × 2 MG MAGNESIUM ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.90 Å |
| 8YP4 Structure of MAP2K1 complexed with 5Z7-oxozeaenol 提交 2024-03-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
34–386（353 aa）
|
突变：T286A, T292A, S298A | WNT (4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；8% Tacsimete pH 5.0, 19.5% PEG 3350
|
分辨率 2.35 Å R-free 0.284 |
| 8YP4 Structure of MAP2K1 complexed with 5Z7-oxozeaenol 提交 2024-03-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
34–386（353 aa）
|
突变：T286A, T292A, S298A | WNT (4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；8% Tacsimete pH 5.0, 19.5% PEG 3350
|
分辨率 2.35 Å R-free 0.284 |
| 9AXA CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628 提交 2024-03-06 | Assembly 1 信息不足 异源复合物；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 B
1–393（393 aa）
链 D
1–393（393 aa）
|
突变：S218A S222A 突变：S218A S222A | A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 4.36 Å |
| 9AXC Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex 提交 2024-03-06 | Assembly 1 信息不足 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
1–393（393 aa）
链 D
1–393（393 aa）
|
突变：S218A S222A 突变：S218A S222A | A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 4.16 Å |
| 9AXH Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628 提交 2024-03-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
37–263（227 aa）
链 A
308–383（76 aa）
链 B
37–263（227 aa）
链 B
308–383（76 aa）
|
未记录 | A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 4 MG MAGNESIUM ION × 4 EDO 1,2-ETHANEDIOL × 1 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M SPG buffer pH 7.0, 25% w/v PEG 1500
|
分辨率 2.81 Å R-free 0.253 |
| 9AXM Crystal structure of ARAF/MEK1 complex with NST-628 and a RAF dimer 提交 2024-03-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
37–263（227 aa）
链 A
308–383（76 aa）
链 C
37–263（227 aa）
链 C
308–383（76 aa）
|
突变：S218A S222A 突变：S218A S222A 突变：S218A S222A 突变：S218A S222A | A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2 MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.6；291 K；0.1M tri-sodium citrate pH 5.6, 20% 2-propanol, 20% PEG 4000
|
分辨率 2.42 Å R-free 0.301 |
| 9AXX Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer 提交 2024-03-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
37–263（227 aa）
链 A
308–383（76 aa）
链 C
37–263（227 aa）
链 C
308–383（76 aa）
|
突变：S218A S222A 突变：S218A S222A 突变：S218A S222A 突变：S218A S222A | A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 3 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 11 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.24 M di-ammonium hydrogen phosphate pH 8.0, 20% w/v PEG 3350
|
分辨率 2.07 Å R-free 0.248 |
| 9AXY Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF 提交 2024-03-06 | 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
1–393（393 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.2 M Lithium chloride, 0.1 M TRIS pH 8, 20% w/v PEG 8000
|
分辨率 3.60 Å R-free 0.237 |
| 9AY7 Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF 提交 2024-03-07 | 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
1–393（393 aa）
|
突变：S218A S222A | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 NI NICKEL (II) ION × 1 ACT ACETATE ION × 5 EDO 1,2-ETHANEDIOL × 1 A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；0.2M sodium acetate pH 8.0, 20% w/v PEG 3350
|
分辨率 2.41 Å R-free 0.236 |
| 9AYA Crystal structure of CRAF/MEK complex with NST-628 and active RAF dimer 提交 2024-03-07 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
37–263（227 aa）
链 B
308–383（76 aa）
链 D
37–263（227 aa）
链 D
308–383（76 aa）
|
突变：S218A S222A 突变：S218A S222A 突变：S218A S222A 突变：S218A S222A | A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.2M magnesium chloride, 0.1M tris pH 7.0, 10% w/v PEG 8000
|
分辨率 2.59 Å R-free 0.257 |
| 9ECU Crystal structure of the inactive BRAF/MEK1 complex bound to IK-595 提交 2024-11-15 | 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
1–393（393 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 4 A1BIS 4-[2-chloro-3-(methylsulfamamido)phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291.15 K；0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 25% w/v PEG 3350
|
分辨率 3.46 Å R-free 0.237 |
| 9MMP Cryo-EM structure of CRAF/MEK1/14-3-3 complex (autoinhibited conformation) 提交 2024-12-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
1–393（393 aa）
|
突变：S218A, S222A | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 ZN ZINC ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5；50 mM Tris pH 7.5, 150 mM NaCl, 2 mM MgCl2, 0.5 mM TCEP, 2 uM ATPgS, 1 uM GDC0623
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.40 Å |
| 9MMQ Cryo-EM structure of CRAF/MEK1 complex (kinase domain) 提交 2024-12-20 | 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
1–393（393 aa）
|
突变：S218A, S222A | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5；50 mM Tris pH 7.5, 150 mM NaCl, 2 mM MgCl2, 0.5 mM TCEP, 2 uM ATPgS, 1 uM GDC0623
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 2.90 Å |
| 9MMR Cryo-EM structure of CRAF/MEK1/14-3-3 complex (open monomer conformation, CRAF Y340D/Y341D mutant) 提交 2024-12-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
1–393（393 aa）
|
突变：S218A, S222A | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5；50 mM Tris pH 7.5, 150 mM NaCl, 2 mM MgCl2, 0.5 mM TCEP, 2 uM ATPgS, 1 uM GDC0623
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.90 Å |
| 9MMS Cryo-EM structure of CRAF/MEK1 complex (kinase domain, CRAF Y340D/Y341D mutant) 提交 2024-12-20 | 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
1–393（393 aa）
|
突变：S218A, S222A | AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 LCJ 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5；50 mM Tris pH 7.5, 150 mM NaCl, 2 mM MgCl2, 0.5 mM TCEP, 2 uM ATPgS, 1 uM GDC0623
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.30 Å |
| 9O0U Crystal structure of CRAF/MEK1 complex with PLX4720 and CH5126766 提交 2025-04-03 | 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
1–393（393 aa）
|
突变：S218A, S222A | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
分辨率 2.91 Å R-free 0.264 |
| 9O0U Crystal structure of CRAF/MEK1 complex with PLX4720 and CH5126766 提交 2025-04-03 | 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 D
1–393（393 aa）
|
突变：S218A, S222A | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
分辨率 2.91 Å R-free 0.264 |
| 9O0U Crystal structure of CRAF/MEK1 complex with PLX4720 and CH5126766 提交 2025-04-03 | Assembly 3 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
1–393（393 aa）
|
突变：S218A, S222A | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
分辨率 2.91 Å R-free 0.264 |
| 9O0U Crystal structure of CRAF/MEK1 complex with PLX4720 and CH5126766 提交 2025-04-03 | Assembly 4 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 H
1–393（393 aa）
|
突变：S218A, S222A | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
分辨率 2.91 Å R-free 0.264 |
| 9O0V Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP 提交 2025-04-03 | 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
1–393（393 aa）
|
突变：S218A, S222A | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
分辨率 3.50 Å R-free 0.254 |
| 9O0V Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP 提交 2025-04-03 | 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 D
1–393（393 aa）
|
突变：S218A, S222A | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
分辨率 3.50 Å R-free 0.254 |
| 9O0V Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP 提交 2025-04-03 | Assembly 3 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
1–393（393 aa）
|
突变：S218A, S222A | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
分辨率 3.50 Å R-free 0.254 |
| 9O0V Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP 提交 2025-04-03 | Assembly 4 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 H
1–393（393 aa）
|
突变：S218A, S222A | 324 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide × 1 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；18% PEG 3350, 0.1 M Sodium citrate pH 5.6, 4% Tacsimate pH 5
|
分辨率 3.50 Å R-free 0.254 |
| 9O2Z Autoinhibited BRAF:(14-3-3)2:MEK complex from Insect cells 提交 2025-04-04 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
1–393（393 aa）
|
未记录 | ZN ZINC ION × 2 CHU N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.83 Å |
| 9TYG Structure of the MAP2K MEK1 in an inactive conformation in complex with its substrate MAPK ERK2 提交 2026-01-19 | Assembly 1 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–2（2 aa）
链 A
12–393（382 aa）
|
突变：residue 3-11 replaced with 15 residues GRA24 KIM,Ser218Asp,Ser222Asp 突变：residue 3-11 replaced with 15 residues GRA24 KIM,Ser218Asp,Ser222Asp | ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 2.90 Å |
| 9TYH Structure of the MAP2K MEK1 in an active conformation in complex with its substrate MAPK ERK2 提交 2026-01-19 | Assembly 1 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–2（2 aa）
链 A
12–393（382 aa）
|
突变：residue 3-11 replaced with GRA24 KIM (15 residues),Ser218Asp,Ser222Asp 突变：residue 3-11 replaced with GRA24 KIM (15 residues),Ser218Asp,Ser222Asp | ADP ADENOSINE-5'-DIPHOSPHATE × 2 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.40 Å |
| 9TYI Structure of the MAP2K MEK1 without bound nucleotide in complex with its substrate MAPK ERK2 提交 2026-01-19 | Assembly 1 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–2（2 aa）
链 A
12–393（382 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
|
分辨率 3.60 Å |
| 9UUR The complex of human pMEK1 and uERK1 (ANP) 提交 2025-05-08 | 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 A
1–393（393 aa）
|
非标准单体：是（mmCIF未提供具体位点） | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.4
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.36 Å |
| 9UUX The complex of human pMEK1 and ERK1 pT202 (ANP) 提交 2025-05-08 | 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 A
1–393（393 aa）
|
非标准单体：是（mmCIF未提供具体位点） | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.4
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.12 Å |
| 9UW3 The complex of human pMEK1 and ERK1 pY204 (ANP) 提交 2025-05-12 | 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 A
1–393（393 aa）
|
非标准单体：是（mmCIF未提供具体位点） | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 1 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.4
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.36 Å |
| 9UW4 The complex of human pMEK1 and uERK1 (ANP)(from pY204ERK1) 提交 2025-05-12 | 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 A
1–393（393 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.4
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.20 Å |