当前蛋白身份：P35991
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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 |
|---|---|---|---|---|---|---|---|
| 4XI2 Crystal Structure of an auto-inhibited form of Bruton's Tryrosine Kinase 提交 2015-01-06 | 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
214–659（446 aa）
片段：UNP residues 214-659
|
未记录 | AU GOLD ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；Mix purified dimer protein at 5 mg/ml in 25 mM TRIS.Cl, pH 8.5, 10 mM NaCl, 5 mM DTT with an equal volume of the precipitant solution, 100 mM TRIS.Cl, pH 8.5, 200 mM Na.acetate, 7.5 % PEG 4,000, then suspend over 1 ml of precipitant solution. Wedge shaped crystals grew to approximately 0.1 mm on a side after a period of two weeks. Crystals were frozen by first transferring them, in four sequential steps, to a solution of 100 mM TRIS.Cl, pH 8.5, 200 mM Na.acetate, 15 % PEG 4,000. This was followed by transfer in six sequential steps to a solution containing 100 mM TRIS.Cl, pH 8.5, 200 mM Na.acetate, 15 % PEG 4,000, 30% glucose
|
分辨率 2.60 Å R-free 0.248 |
| 8FD9 Structure of BTK kinase domain with the second-generation inhibitor acalabrutinib 提交 2022-12-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
396–659（264 aa）
|
突变：K430R, L542M S543T, V555T, R562K, S564A, P565S, Y617P | XQQ 4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imidazo[1,5-a]pyrazin-1-yl]-N-(pyridin-2-yl)benzamide × 1 BR BROMIDE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.5；277 K；20% PEG 3350, 0.1M Bis-tris propane, pH 6.5 and 0.2M sodium bromide
|
分辨率 1.70 Å R-free 0.228 |
| 8FF0 Structure of BTK kinase domain with the second-generation inhibitor tirabrutinib 提交 2022-12-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
396–659（264 aa）
|
突变：K430R, L542M S543T, V555T, R562K, S564A, P565S, Y617P | 7GB 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；16% PEG 8000 and 0.1M sodium citrate
|
分辨率 2.60 Å R-free 0.267 |
| 8GMB Crystal structure of the full-length Bruton's tyrosine kinase (PH-TH domain not visible) 提交 2023-03-24 | 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
1–659（659 aa）
|
突变：E298A, K300A, E301A, A384P, S386P, T387P, A388P, L390F, K430R, L542M S543T, V555T, R562K, S564A, P565S, Y617P | 9AJ 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；277.15 K；20% PEG 3350, 0.1M Bis-Tris Propane, 0.2M potassium thiocyanate
|
分辨率 3.40 Å R-free 0.289 |
| 8S93 Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase 提交 2023-03-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–171（171 aa）
片段：PHTH domain residues 1-171 and Kinase domain residues 396-659
链 A
396–659（264 aa）
片段：PHTH domain residues 1-171 and Kinase domain residues 396-659
|
突变：Q91A, I92A, I94A, I95A, K430R, L542M S543T, V555T, R562K, S564A, P565S, Y617P 突变：Q91A, I92A, I94A, I95A, K430R, L542M S543T, V555T, R562K, S564A, P565S, Y617P | 9AJ 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one × 1 ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.6；277 K；20%PEG3350, 0.1M Bis-Tris, pH5.6, 0.2M magnesium chloride
|
分辨率 2.10 Å R-free 0.246 |
| 8S9F Crystal structure of the kinase domain of Bruton's Tyrosine Kinase bound to dasatinib 提交 2023-03-28 | 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
382–659（278 aa）
链 B
382–659（278 aa）
|
突变：L390G, Y551E, Y617P 突变：L390G, Y551E, Y617P | 1N1 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；42% PEG200, 0.1M HEPES
|
分辨率 2.60 Å R-free 0.284 |
| 9EJJ Bruton's tyrosine kinase in complex with compound PTI55 提交 2024-11-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
382–659（278 aa）
|
突变：L390G, Y551E, Y617P | A1BIZ 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M NaCitrate pH 5.5, 18% PEG3350
|
分辨率 2.03 Å R-free 0.242 |
| 9EJJ Bruton's tyrosine kinase in complex with compound PTI55 提交 2024-11-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
382–659（278 aa）
|
突变：L390G, Y551E, Y617P | A1BIZ 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M NaCitrate pH 5.5, 18% PEG3350
|
分辨率 2.03 Å R-free 0.242 |
| 9EJR Bruton's tyrosine kinase in complex with compound PTI52 提交 2024-11-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
382–659（278 aa）
|
突变：L390G, Y551E, Y617P | A1BI0 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-cyclopropylpyridin-2-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M NaCitrate pH 5.5, 18% PEG3350
|
分辨率 2.10 Å R-free 0.295 |
| 9EJR Bruton's tyrosine kinase in complex with compound PTI52 提交 2024-11-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
382–659（278 aa）
|
突变：L390G, Y551E, Y617P | A1BI0 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-cyclopropylpyridin-2-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M NaCitrate pH 5.5, 18% PEG3350
|
分辨率 2.10 Å R-free 0.295 |
| 9EJS Bruton's tyrosine kinase with mutations in the activation loop in complex with compound PTI52 提交 2024-11-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
396–659（264 aa）
|
突变：K430R, L542M, S543T, V555T, R562K, S564A, P565S | A1BI0 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-cyclopropylpyridin-2-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；Sodium citrate tribasic dihydrate pH 5.5, 16% w/v Polyethylene glycol 8,000
|
分辨率 2.26 Å R-free 0.246 |
| 9EJS Bruton's tyrosine kinase with mutations in the activation loop in complex with compound PTI52 提交 2024-11-28 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
396–659（264 aa）
|
突变：K430R, L542M, S543T, V555T, R562K, S564A, P565S | A1BI0 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-cyclopropylpyridin-2-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；Sodium citrate tribasic dihydrate pH 5.5, 16% w/v Polyethylene glycol 8,000
|
分辨率 2.26 Å R-free 0.246 |
| 9EJS Bruton's tyrosine kinase with mutations in the activation loop in complex with compound PTI52 提交 2024-11-28 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
396–659（264 aa）
|
突变：K430R, L542M, S543T, V555T, R562K, S564A, P565S | A1BI0 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-cyclopropylpyridin-2-yl)benzamide × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；Sodium citrate tribasic dihydrate pH 5.5, 16% w/v Polyethylene glycol 8,000
|
分辨率 2.26 Å R-free 0.246 |
| 9EJX Bruton's tyrosine kinase with mutations in the activation loop in complex with compound PTI42 提交 2024-11-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
396–659（264 aa）
|
突变：K430R, L542M, S543T, V555T, R562K, S564A, P565S,Y617P | A1BI1 {(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}(cyclopropyl)methanone × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M Sodium citrate tribasic dihydrate pH 5.5, 18% w/v Polyethylene glycol 8,000
|
分辨率 2.86 Å R-free 0.296 |
| 9ME2 Bruton's tyrosine kinase with mutations in the activation loop in complex with compound A110162 提交 2024-12-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
396–659（264 aa）
|
突变：K430R, L542M, S543T, V555T, R562K, S564A, P565S,Y617P | A1BKW 3-(4-phenoxyphenyl)-1-[(3S)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M Sodium citrate tribasic dihydrate pH 5.5, 18% w/v Polyethylene glycol 8,000
|
分辨率 3.38 Å R-free 0.286 |
| 9ME3 Bruton's tyrosine kinase with mutations in the activation loop in complex with compound P301390 提交 2024-12-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
396–659（264 aa）
|
突变：K430R, L542M, S543T, V555T, R562K, S564A, P565S,Y617P | A1BJE 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M Sodium citrate tribasic dihydrate pH 5.5, 18% w/v Polyethylene glycol 8,000
|
分辨率 3.05 Å R-free 0.288 |
| 9ZLJ Crystal structure of BTK kinase domain bound to compound YS1 提交 2025-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
382–659（278 aa）
|
突变：Y617P | A1C20 N-{(1r,4r)-4-[2-(4-chlorophenoxy)acetamido]cyclohexyl}-N-[2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide × 1 IMD IMIDAZOLE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；15-25% PEG3350, 0.1M imidazole
|
分辨率 1.60 Å R-free 0.218 |
| 9ZLM Crystal structure of BTK kinase domain bound to compound YS2 提交 2025-12-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
382–659（278 aa）
|
突变：Y617P | A1C2Z N-[4-(3-{2-oxo-2-[3-(phenoxymethyl)azetidin-1-yl]acetamido}phenyl)oxan-4-yl]propanamide × 1 IMD IMIDAZOLE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；15-25% PEG3350, 0.1M imidazole
|
分辨率 1.27 Å R-free 0.212 |