6mc1

Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor

Method: X-RAY DIFFRACTION D_max: 94.3 Å Quality: GOOD

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Dual specificity protein phosphatase 10

Homo sapiens

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 320–467	片段：UNP residues 320-467	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES	分辨率 2.70 Å R-free 0.227
2	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 B； UniProt 320–467	片段：UNP residues 320-467	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES	分辨率 2.70 Å R-free 0.227
3	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 C； UniProt 320–467	片段：UNP residues 320-467	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES	分辨率 2.70 Å R-free 0.227
4	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 D； UniProt 320–467	片段：UNP residues 320-467	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES	分辨率 2.70 Å R-free 0.227
5	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 E； UniProt 320–467	片段：UNP residues 320-467	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES	分辨率 2.70 Å R-free 0.227
6	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 F； UniProt 320–467	片段：UNP residues 320-467	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES	分辨率 2.70 Å R-free 0.227

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 6MC1	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1ZZW Crystal Structure of catalytic domain of Human MAP Kinase Phosphatase 5 提交 2005-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）片段：catalytic domain	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；PEG3350, Lithium sulfate, magnesium sulfate, DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.60 Å R-free 0.217
1ZZW Crystal Structure of catalytic domain of Human MAP Kinase Phosphatase 5 提交 2005-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）片段：catalytic domain	未记录	SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；PEG3350, Lithium sulfate, magnesium sulfate, DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.60 Å R-free 0.217
2OUC Crystal structure of the MAP kinase binding domain of MKP5 提交 2007-02-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 148–287（140 aa）片段：Rhodanese domain (Residues 148-287)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.5；277 K；100 mM sodium acetate (pH 4.5), and 2.3-2.5 M ammonium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.20 Å R-free 0.289
2OUC Crystal structure of the MAP kinase binding domain of MKP5 提交 2007-02-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 148–287（140 aa）片段：Rhodanese domain (Residues 148-287)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.5；277 K；100 mM sodium acetate (pH 4.5), and 2.3-2.5 M ammonium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.20 Å R-free 0.289
2OUD Crystal structure of the catalytic domain of human MKP5 提交 2007-02-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 315–482（168 aa）片段：Tyrosine-protein phosphatase domain (Residues 315-482)	未记录	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；100 mM Bis-tris (pH 6.0), and 2.7-3.0 M sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.80 Å R-free 0.248
3TG1 Crystal structure of p38alpha in complex with a MAPK docking partner 提交 2011-08-17	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 139–288（150 aa）片段：KBD (UNP RESIDUES 139-288)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；100mM Tris pH7.5, 9% [w/v] polyethylene glycol 3350, 8% [w/v] sucrose, VAPOR DIFFUSION, temperature 293K	分辨率 2.71 Å R-free 0.260
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）片段：UNP residues 320-467	未记录	L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350	分辨率 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）片段：UNP residues 320-467	未记录	L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350	分辨率 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–467（148 aa）片段：UNP residues 320-467	未记录	L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350	分辨率 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–467（148 aa）片段：UNP residues 320-467	未记录	L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350	分辨率 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–467（148 aa）片段：UNP residues 320-467	未记录	L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350	分辨率 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–467（148 aa）片段：UNP residues 320-467	未记录	L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350	分辨率 2.30 Å R-free 0.238
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）片段：UNP residues 320-467	未记录	L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350	分辨率 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）片段：UNP residues 320-467	未记录	L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350	分辨率 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–467（148 aa）片段：UNP residues 320-467	未记录	L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350	分辨率 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–467（148 aa）片段：UNP residues 320-467	未记录	L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350	分辨率 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–467（148 aa）片段：UNP residues 320-467	未记录	L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350	分辨率 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-02-28	配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–467（148 aa）片段：UNP residues 320-467	未记录	L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350	分辨率 3.14 Å R-free 0.225
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-07	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）片段：UNP residues 320-467	未记录	NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350	分辨率 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-07	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）片段：UNP residues 320-467	未记录	NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350	分辨率 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-07	配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–467（148 aa）片段：UNP residues 320-467	未记录	NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350	分辨率 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-07	配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–467（148 aa）片段：UNP residues 320-467	未记录	NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350	分辨率 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-07	配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–467（148 aa）片段：UNP residues 320-467	未记录	NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350	分辨率 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-07	配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–467（148 aa）片段：UNP residues 320-467	未记录	NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350	分辨率 2.51 Å R-free 0.228
7UMV Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-07	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）片段：UNP residues 320-467	未记录	NUU 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM ammonium acetate, 40% w/v PEG3350	分辨率 1.80 Å R-free 0.172
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）片段：UNP residues 320-467	未记录	NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350	分辨率 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）片段：UNP residues 320-467	未记录	NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350	分辨率 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–467（148 aa）片段：UNP residues 320-467	未记录	NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350	分辨率 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–467（148 aa）片段：UNP residues 320-467	未记录	NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350	分辨率 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–467（148 aa）片段：UNP residues 320-467	未记录	NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350	分辨率 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–467（148 aa）片段：UNP residues 320-467	未记录	NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350	分辨率 3.00 Å R-free 0.214
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）片段：UNP residues 320-467	未记录	NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350	分辨率 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）片段：UNP residues 320-467	未记录	NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350	分辨率 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–467（148 aa）片段：UNP residues 320-467	未记录	NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350	分辨率 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–467（148 aa）片段：UNP residues 320-467	未记录	NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350	分辨率 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–467（148 aa）片段：UNP residues 320-467	未记录	NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350	分辨率 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor 提交 2022-04-08	配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–467（148 aa）片段：UNP residues 320-467	未记录	NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350	分辨率 2.70 Å R-free 0.263
7Y4B Crystal structure of DUSP10 mutant_D59A 提交 2022-06-14	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）	突变：D59A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；283 K；22.5%(w/v) PEG 3000, 100mM Tris base/Hydrochloric acid, 200mM Calcium acetate	分辨率 1.86 Å R-free 0.230
7Y4B Crystal structure of DUSP10 mutant_D59A 提交 2022-06-14	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）	突变：D59A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；283 K；22.5%(w/v) PEG 3000, 100mM Tris base/Hydrochloric acid, 200mM Calcium acetate	分辨率 1.86 Å R-free 0.230
7Y4C Crystal structure of DUSP10 提交 2022-06-14	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 320–467（148 aa）链 B 320–467（148 aa）链 C 320–467（148 aa）链 D 320–467（148 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；25% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 175 mM Calcium acetate	分辨率 1.87 Å R-free 0.268
7Y4D Crystal structure of DUSP10 mutant_S95A 提交 2022-06-14	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）	突变：S95A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；22.5% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 200 mM Calcium acetate	分辨率 2.18 Å R-free 0.230
7Y4D Crystal structure of DUSP10 mutant_S95A 提交 2022-06-14	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）	突变：S95A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；22.5% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 200 mM Calcium acetate	分辨率 2.18 Å R-free 0.230
7Y4E Crystal structure of DUSP10 mutant_N130A 提交 2022-06-14	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）	突变：N130A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；27.5% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 175mM Calcium acetate	分辨率 1.93 Å R-free 0.233
7Y4E Crystal structure of DUSP10 mutant_N130A 提交 2022-06-14	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）	突变：N130A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；27.5% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 175mM Calcium acetate	分辨率 1.93 Å R-free 0.233
9BPN Crystal structure of the allosteric MKP5 mutant Y435W 提交 2024-05-07	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–466（147 aa）	突变：Y435W	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.40 Å R-free 0.288
9BPN Crystal structure of the allosteric MKP5 mutant Y435W 提交 2024-05-07	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–466（147 aa）	突变：Y435W	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.40 Å R-free 0.288
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 10 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 J 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 11 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 K 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 12 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 L 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 7 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 G 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 8 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 H 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor 提交 2024-05-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 9 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 I 320–466（147 aa）	突变：Y435W	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride	分辨率 2.90 Å R-free 0.266
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor 提交 2025-03-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–466（147 aa）片段：UNP residues 320-466	突变：S446G	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000	分辨率 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor 提交 2025-03-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–466（147 aa）片段：UNP residues 320-466	突变：S446G	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000	分辨率 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor 提交 2025-03-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–466（147 aa）片段：UNP residues 320-466	突变：S446G	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000	分辨率 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor 提交 2025-03-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–466（147 aa）片段：UNP residues 320-466	突变：S446G	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000	分辨率 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor 提交 2025-03-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–466（147 aa）片段：UNP residues 320-466	突变：S446G	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000	分辨率 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor 提交 2025-03-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–466（147 aa）片段：UNP residues 320-466	突变：S446G	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000	分辨率 2.50 Å R-free 0.264
9NYM Crystal structure of an MKP5 allosteric loop mutant, N448A 提交 2025-03-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–466（147 aa）	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；297 K；0.1 M Tris, pH 6.5, 2.0 M ammonium sulfate	分辨率 2.00 Å R-free 0.241
9NYM Crystal structure of an MKP5 allosteric loop mutant, N448A 提交 2025-03-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–466（147 aa）	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；297 K；0.1 M Tris, pH 6.5, 2.0 M ammonium sulfate	分辨率 2.00 Å R-free 0.241
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor 提交 2025-04-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）	突变：Y435F	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer)	分辨率 2.39 Å R-free 0.251
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor 提交 2025-04-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）	突变：Y435F	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer)	分辨率 2.39 Å R-free 0.251
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor 提交 2025-04-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–467（148 aa）	突变：Y435F	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer)	分辨率 2.39 Å R-free 0.251
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor 提交 2025-04-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–467（148 aa）	突变：Y435F	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer)	分辨率 2.39 Å R-free 0.251
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor 提交 2025-04-16	构建体不同突变/修饰不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–467（148 aa）	突变：Y435F	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer)	分辨率 2.39 Å R-free 0.251
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor 提交 2025-04-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–467（148 aa）	突变：Y435F	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer)	分辨率 2.39 Å R-free 0.251
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor 提交 2025-05-09	突变/修饰不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–467（148 aa）片段：UNP residues 320-467	突变：P447V	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)	分辨率 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor 提交 2025-05-09	突变/修饰不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–467（148 aa）片段：UNP residues 320-467	突变：P447V	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)	分辨率 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor 提交 2025-05-09	突变/修饰不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–467（148 aa）片段：UNP residues 320-467	突变：P447V	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)	分辨率 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor 提交 2025-05-09	突变/修饰不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–467（148 aa）片段：UNP residues 320-467	突变：P447V	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)	分辨率 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor 提交 2025-05-09	突变/修饰不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–467（148 aa）片段：UNP residues 320-467	突变：P447V	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)	分辨率 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor 提交 2025-05-09	突变/修饰不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–467（148 aa）片段：UNP residues 320-467	突变：P447V	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)	分辨率 3.00 Å R-free 0.239
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor 提交 2025-08-25	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–466（147 aa）	未记录	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate	分辨率 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor 提交 2025-08-25	构建体不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–466（147 aa）	未记录	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate	分辨率 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor 提交 2025-08-25	构建体不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–466（147 aa）	未记录	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate	分辨率 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor 提交 2025-08-25	构建体不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–466（147 aa）	未记录	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate	分辨率 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor 提交 2025-08-25	构建体不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–466（147 aa）	未记录	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate	分辨率 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor 提交 2025-08-25	构建体不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–466（147 aa）	未记录	CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate	分辨率 2.95 Å R-free 0.241
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 10 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 J 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 11 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 K 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 12 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 L 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 7 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 G 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 8 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 H 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A 提交 2025-09-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 9 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 I 320–466（147 aa）片段：CD domain (UNP residues 320-466)	突变：I445A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride	分辨率 3.50 Å R-free 0.245

共 22 个其他 PDB 条目、96 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	DUS10_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 5–152； UniProt 320–467 作者链 B； PDB构建体 5–152； UniProt 320–467 作者链 C； PDB构建体 5–152； UniProt 320–467 作者链 D； PDB构建体 5–152； UniProt 320–467 作者链 E； PDB构建体 5–152； UniProt 320–467 作者链 F； PDB构建体 5–152； UniProt 320–467

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	6mc1
沉积日期 deposition_date	2018-08-30
结构标题 title	Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
关键词 keywords	;phosphatase, protein-tyrosine phosphatase, dual specificity phosphatase, phosphatase-inhibitor complex, HYDROLASE-HYDROLASE Inhibitor complex ;; Hydrolase/Hydrolase Inhibitor
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	32.22 Å
回转半径 Rg (电子) rg_electron	31.32 Å
零角强度 I(0) i0	164218000.00
分子量 molecular_weight	103960.0 kDa
排除体积 excluded_volume	130820 Å³
包络体积 envelope_volume	165480 Å³
水化壳体积 shell_volume	43384 Å³
包络直径 envelope_diameter	102.1 Å
壳层 Rg shell_rg	38.90 Å
包络 Rg envelope_rg	30.94 Å
形状 Rg shape_rg	31.33 Å
总 Rg total_rg	31.94 Å
总原子数 total_atoms	7292
残基数 n_residues	881
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	94.3 Å
Rg (实空间) rg_real	31.99 Å
Rg 误差 (实空间) rg_real_error	0.57 Å
I(0) (实空间) i0_real	1.6420e+08
I(0) 误差 (实空间) i0_real_error	2.4250e+06
Rg (倒空间) rg_reciprocal	32.09 Å
I(0) (倒空间) i0_reciprocal	164200000.0000
解质量估计 total_estimate	0.8996
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	44.3 Å
偏度 Skewness skewness	0.075
峰度 Kurtosis kurtosis	-0.501
角度范围 angular_range	— – 0.2450 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	38110000.0000
实空间数据点数 n_real_points	50
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.964; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.813

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (4)

实体 1 Entity 1 polymer

描述 description	Dual specificity protein phosphatase 10
分子量 formula_weight	17450.0 kDa
EC 编号 ec_number	3.1.3.16,3.1.3.48
来源方法 src_method	man
拷贝数 entity_count	6

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F
原子数 atom_count	7292

GSHMAELTPILPFLFLGNEQDAQDLDTMQRLNIGYVINVTTHLPLYHYEKGLFNYKRLPATDSNKQNLRQYFEEAFEFIEEAHQCGKGLLIHCQAGVSRSATIVIAYLMKHTRMTMTDAYKFVKGKRPIISPNLNFMGQLLEFEEDLNNGVT

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
分子量 formula_weight	364.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	6

实体 3 Entity 3 non-polymer

描述 description	2,3-DIHYDROXY-1,4-DITHIOBUTANE
分子量 formula_weight	154.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

实体 4 Entity 4 non-polymer

描述 description	ACETATE ION
分子量 formula_weight	59.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

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7. 折叠分类 (SCOP + CATH) 7 domains

SCOP 2.08 (7 domains)

结构域编号 domain_id	d6mc1a_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.45 — (Phosphotyrosine protein) phosphatases II
超家族 Superfamily superfamily	c.45.1 — (Phosphotyrosine protein) phosphatases II
家族 Family family	c.45.1.0 — automated matches

结构域编号 domain_id	d6mc1b_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.45 — (Phosphotyrosine protein) phosphatases II
超家族 Superfamily superfamily	c.45.1 — (Phosphotyrosine protein) phosphatases II
家族 Family family	c.45.1.0 — automated matches

结构域编号 domain_id	d6mc1c1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.45 — (Phosphotyrosine protein) phosphatases II
超家族 Superfamily superfamily	c.45.1 — (Phosphotyrosine protein) phosphatases II
家族 Family family	c.45.1.0 — automated matches

结构域编号 domain_id	d6mc1c2
类 Class class	l — Artifacts
折叠类型 Fold fold	l.1 — Tags
超家族 Superfamily superfamily	l.1.1 — Tags
家族 Family family	l.1.1.1 — Tags

结构域编号 domain_id	d6mc1d_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.45 — (Phosphotyrosine protein) phosphatases II
超家族 Superfamily superfamily	c.45.1 — (Phosphotyrosine protein) phosphatases II
家族 Family family	c.45.1.0 — automated matches

结构域编号 domain_id	d6mc1e_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.45 — (Phosphotyrosine protein) phosphatases II
超家族 Superfamily superfamily	c.45.1 — (Phosphotyrosine protein) phosphatases II
家族 Family family	c.45.1.0 — automated matches

结构域编号 domain_id	d6mc1f_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.45 — (Phosphotyrosine protein) phosphatases II
超家族 Superfamily superfamily	c.45.1 — (Phosphotyrosine protein) phosphatases II
家族 Family family	c.45.1.0 — automated matches

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8. 引用文献 (1)

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晶胞边长 a length_a	66.110 Å
晶胞边长 b length_b	129.390 Å
晶胞边长 c length_c	83.310 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	91.81 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.700 Å
最低分辨率 resolution_low	48.707 Å
R 因子 r_factor	0.1901
R_work r_work	0.1880
R_free r_free	0.2272

fit	/app/data/saxs_computation/mc/6mc1/6mc1.fit
pddf	/app/data/pr_computation/mc/6mc1/6mc1.pr.out
profile	/app/data/saxs_computation/mc/6mc1/6mc1.dat