当前蛋白身份：Q99640
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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 |
|---|---|---|---|---|---|---|---|
| 13LV Structure of PKMYT1 bound to allosteric inhibitor P29-(S) 提交 2026-05-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.22 Å R-free 0.269 |
| 13LW Structure of PKMYT1 bound to inhibitor P32-(S) 提交 2026-05-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.95 Å R-free 0.247 |
| 13LX Structure of PKMYT1 bound to inhibitor P32-(R) 提交 2026-05-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å R-free 0.280 |
| 23ES Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 11 提交 2026-02-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
76–361（286 aa）
|
未记录 | A1E5A 3-azanyl-5-chloranyl-4-(7-fluoranyl-2H-indazol-4-yl)-7-methyl-1H-1,6-naphthyridin-2-one × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 1.74 Å R-free 0.240 |
| 23ES Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 11 提交 2026-02-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
76–361（286 aa）
|
未记录 | A1E5A 3-azanyl-5-chloranyl-4-(7-fluoranyl-2H-indazol-4-yl)-7-methyl-1H-1,6-naphthyridin-2-one × 1 SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 1.74 Å R-free 0.240 |
| 23FW Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 16 提交 2026-02-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
76–361（286 aa）
|
未记录 | A1E5J 9-azanyl-10-(7-fluoranyl-1H-indazol-4-yl)-6-methyl-2,3,4,7-tetrahydropyrano[2,3-f][1,7]naphthyridin-8-one × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 1.59 Å R-free 0.195 |
| 23FW Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 16 提交 2026-02-05 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
76–361（286 aa）
|
未记录 | A1E5J 9-azanyl-10-(7-fluoranyl-1H-indazol-4-yl)-6-methyl-2,3,4,7-tetrahydropyrano[2,3-f][1,7]naphthyridin-8-one × 1 EDO 1,2-ETHANEDIOL × 5 SO4 SULFATE ION × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 1.59 Å R-free 0.195 |
| 3P1A Structure of human Membrane-associated Tyrosine- and Threonine-specific cdc2-inhibitory kinase MYT1 (PKMYT1) 提交 2010-09-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：kinase domain, UNP residue 75-362
|
未记录 | EDO 1,2-ETHANEDIOL × 10 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；20% PEG 3350, 0.2M KSCN, 0.1M Bis-Tris Propane, pH 6.5, 10% Ethylene glycol , VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
|
分辨率 1.70 Å R-free 0.195 |
| 5VCV CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Dasatinib 提交 2017-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
非标准单体：是（mmCIF未提供具体位点） | CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 1 1N1 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000, 1 mM Dasatinib
|
分辨率 1.92 Å R-free 0.197 |
| 5VCW CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Pelitinib 提交 2017-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | 93J (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.05 M MES pH 6.5, 0.8 M Magnesium sulfate, 2 mM Pelitinib
|
分辨率 2.25 Å R-free 0.246 |
| 5VCW CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Pelitinib 提交 2017-04-01 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | 93J (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide × 1 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.05 M MES pH 6.5, 0.8 M Magnesium sulfate, 2 mM Pelitinib
|
分辨率 2.25 Å R-free 0.246 |
| 5VCX CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (UNTREATED) IN COMPLEX WITH SARACATINIB 提交 2017-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | H8H N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000, 1 mM SARACATINIB
|
分辨率 2.70 Å R-free 0.244 |
| 5VCY CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB 提交 2017-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | DB8 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile × 1 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；14 MG/ML MYT1, 50 mM HEPES PH 7.5, 0.5 mM DTT, 0.05 M POTASSIUM CHLORIDE, 17.5 (V/V) % pentaerythritol propoxylate (5/4 PO/OH), 1.5 mM BOSUTINIB
|
分辨率 1.56 Å R-free 0.178 |
| 5VCZ CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Bosutinib isomer 提交 2017-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | XZN 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE × 1 EDO 1,2-ETHANEDIOL × 5 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；14 MG/ML MYT1, 50 mM HEPES PH 7.5, 0.5 mM DTT, 0.05 M POTASSIUM CHLORIDE, 17.5 (V/V) % pentaerythritol propoxylate (5/4 PO/OH), 1.5 mM osutinib isomer
|
分辨率 1.50 Å R-free 0.181 |
| 5VD0 CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH MK1775 提交 2017-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | 8X7 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；14 MG/ML MYT1, 50 mM HEPES PH 7.5, 0.5 mM DTT, 0.05 M POTASSIUM CHLORIDE, 17.5 (V/V) % pentaerythritol propoxylate (5/4 PO/OH), 1.5 mM MK1775
|
分辨率 2.13 Å R-free 0.231 |
| 5VD1 CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH PHA-848125 提交 2017-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | P48 N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；14 MG/ML MYT1, 50 mM HEPES PH 7.5, 0.5 mM DTT, 0.05 M POTASSIUM CHLORIDE, 17.5 (V/V) % pentaerythritol propoxylate (5/4 PO/OH), 1.5 mM PHA-848125
|
分辨率 1.70 Å R-free 0.194 |
| 5VD3 CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN (de-phosphorylated) IN COMPLEX WITH SARACATINIB 提交 2017-04-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | H8H N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE × 1 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；14 MG/ML MYT1, 50 mM HEPES PH 7.5, 0.5 mM DTT, 0.05 M POTASSIUM CHLORIDE, 17.5 (V/V) % pentaerythritol propoxylate (5/4 PO/OH), 1.5 mM SARACATINIB
|
分辨率 1.80 Å R-free 0.204 |
| 8D6C Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28 提交 2022-06-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 1 QGR (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.25；293 K；5.6 to 6.6 % PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG
|
分辨率 2.20 Å R-free 0.267 |
| 8D6C Crystal Structure of Human Myt1 Kinase domain Bounded with compound 28 提交 2022-06-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 1 QGR (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.25；293 K；5.6 to 6.6 % PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG
|
分辨率 2.20 Å R-free 0.267 |
| 8D6D Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39 提交 2022-06-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | EDO 1,2-ETHANEDIOL × 3 SO4 SULFATE ION × 1 QGY (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.25；293 K；5.6 to 6.6% PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG
|
分辨率 2.35 Å R-free 0.272 |
| 8D6D Crystal Structure of Human Myt1 Kinase domain Bounded with compound 39 提交 2022-06-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 1 QGY (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.25；293 K；5.6 to 6.6% PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG
|
分辨率 2.35 Å R-free 0.272 |
| 8D6E Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306 提交 2022-06-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | SO4 SULFATE ION × 1 QGI (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide × 1 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.25；293 K；5.6 to 6.6% PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG
|
分辨率 2.15 Å R-free 0.218 |
| 8D6E Crystal Structure of Human Myt1 Kinase domain Bounded with RP-6306 提交 2022-06-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | SO4 SULFATE ION × 1 QGI (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide × 1 EDO 1,2-ETHANEDIOL × 7 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.25；293 K；5.6 to 6.6% PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG
|
分辨率 2.15 Å R-free 0.218 |
| 8D6F Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41 提交 2022-06-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | SO4 SULFATE ION × 1 QG5 (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.25；293 K；5.6 to 6.6% PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG
|
分辨率 2.49 Å R-free 0.239 |
| 8D6F Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41 提交 2022-06-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
片段：KINASE DOMAIN, UNP RESIDUES 75-362
|
未记录 | SO4 SULFATE ION × 1 QG5 (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.25；293 K；5.6 to 6.6% PEG3350, 0.2 M Na2SO4, 0.1 M Tris-HCl and 10% EG
|
分辨率 2.49 Å R-free 0.239 |
| 8WJY PKMYT1_Cocrystal_Cpd 4 提交 2023-09-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
|
未记录 | W9X [6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；SM5-E1+30%Gly
|
分辨率 1.88 Å R-free 0.217 |
| 8ZTX Crystal Structure of Human Myt1 Kinase domain Bounded with compound 6b 提交 2024-06-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
|
未记录 | A1D83 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.8 M Ammonium sulfate,100 mM
Sodium citrate,pH 5.5
|
分辨率 1.70 Å R-free 0.216 |
| 8ZU2 Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8g 提交 2024-06-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–361（287 aa）
|
未记录 | GLY GLYCINE × 1 A1D85 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.8 M Ammonium sulfate,100 mM
Sodium citrate,pH 5.5
|
分辨率 1.80 Å R-free 0.222 |
| 8ZUD Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8f 提交 2024-06-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–361（287 aa）
|
未记录 | A1D82 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.8 M Ammonium sulfate,100 mM
Sodium citrate,pH 6.5
|
分辨率 1.51 Å R-free 0.238 |
| 8ZUL Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8m 提交 2024-06-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–361（287 aa）
|
未记录 | A1D84 2-azanyl-5-[2-[(3~{R})-3-azanylpyrrolidin-1-yl]pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.8 M Ammonium sulfate,100 mM
Sodium citrate,pH 5.5
|
分辨率 1.80 Å R-free 0.219 |
| 9LGL Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 6 提交 2025-01-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–361（287 aa）
|
未记录 | A1EJW 3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one × 1 EDO 1,2-ETHANEDIOL × 3 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；293 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 2.17 Å R-free 0.234 |
| 9LGL Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 6 提交 2025-01-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
75–361（287 aa）
|
未记录 | A1EJW 3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；293 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 2.17 Å R-free 0.234 |
| 9LGN Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 40 提交 2025-01-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
77–361（285 aa）
|
未记录 | A1EJU 3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one × 1 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 2.03 Å R-free 0.241 |
| 9LGN Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 40 提交 2025-01-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
77–361（285 aa）
|
未记录 | A1EJU 3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 2.03 Å R-free 0.241 |
| 9LGV Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 11 提交 2025-01-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
|
未记录 | TLA L(+)-TARTARIC ACID × 2 A1EJV 3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 2.04 Å R-free 0.234 |
| 9LGV Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 11 提交 2025-01-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
75–362（288 aa）
|
未记录 | TLA L(+)-TARTARIC ACID × 1 A1EJV 3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one × 1 EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 2.04 Å R-free 0.234 |
| 9LID Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 27 提交 2025-01-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
75–362（288 aa）
|
未记录 | A1EJX 4-[7-azanyl-8-(7-fluoranyl-1H-indazol-4-yl)-6-oxidanylidene-5H-1,5-naphthyridin-3-yl]-N,N-dimethyl-benzamide × 1 SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 2.06 Å R-free 0.231 |
| 9LID Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 27 提交 2025-01-14 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
75–362（288 aa）
|
未记录 | A1EJX 4-[7-azanyl-8-(7-fluoranyl-1H-indazol-4-yl)-6-oxidanylidene-5H-1,5-naphthyridin-3-yl]-N,N-dimethyl-benzamide × 1 SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；6.9 MG/ML MYT1, 25 mM HEPES, 100 MM SODIUM CHLORIDE, 0.5 mM DTT, 0.1 M CALCIUM CHLORIDE, 0.05 M TRIS pH 8.5, 10 % PEG 4000
|
分辨率 2.06 Å R-free 0.231 |
| 9M6P Discovery of a bifunctional PKMYT1-targeting PROTAC empowered by AI-generation 提交 2025-03-07 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 AAA
75–362（288 aa）
链 BBB
75–362（288 aa）
|
未记录 | A1EMX 2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]phenol × 6 PO4 PHOSPHATE ION × 6 CL CHLORIDE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；298 K；SM5-E1+30%Gly
|
分辨率 2.38 Å R-free 0.290 |