9s22

Crystal structure of human SIRT2 in complex with the covalent adduct of SirReal-triazole inhibitor LG023 and ADP-ribose

Method: X-RAY DIFFRACTION D_max: 69.4 Å Quality: GOOD

▼

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

NAD-dependent protein deacetylase sirtuin-2

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 56–356	片段：UNP residues 56-356	ZN ZINC ION × 1 A1JK2 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-[5-[[3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-[LG023-ADPR] complex (11.4 mg/mL SIRT2, 10 mM NAD+, 3.33 mM of compound LG023 with 3.33 % (v/v) final DMSO concentration) formed after three days, with a reservoir solution containing 25 % (w/v) PEG 3350 and 0.2 M MgCl2 x 6H2O in 0.1 M Tris at pH 8.5.	分辨率 1.95 Å R-free 0.214

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 9S22	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
1J8F HUMAN SIRT2 HISTONE DEACETYLASE 提交 2001-05-21	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 34–356（323 aa）	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ethanol, bis-tris propane, NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 277K	分辨率 1.70 Å R-free 0.260
1J8F HUMAN SIRT2 HISTONE DEACETYLASE 提交 2001-05-21	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 34–356（323 aa）	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ethanol, bis-tris propane, NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 277K	分辨率 1.70 Å R-free 0.260
1J8F HUMAN SIRT2 HISTONE DEACETYLASE 提交 2001-05-21	构建体不同配体/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 34–356（323 aa）	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；ethanol, bis-tris propane, NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 277K	分辨率 1.70 Å R-free 0.260
3ZGO Re-refined structure of the human Sirt2 apoform 提交 2012-12-18	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 34–356（323 aa）	突变：YES	ZN ZINC ION × 1 P6G HEXAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.63 Å R-free 0.195
3ZGO Re-refined structure of the human Sirt2 apoform 提交 2012-12-18	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 34–356（323 aa）	突变：YES	ZN ZINC ION × 1 PGE TRIETHYLENE GLYCOL × 1 EOH ETHANOL × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.63 Å R-free 0.195
3ZGO Re-refined structure of the human Sirt2 apoform 提交 2012-12-18	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 34–356（323 aa）	突变：YES	ZN ZINC ION × 1 PGE TRIETHYLENE GLYCOL × 5	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.63 Å R-free 0.195
3ZGV Structure of human SIRT2 in complex with ADP-ribose 提交 2012-12-19	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 × 2 PDB 声明：dimeric	链 A 34–356（323 aa）片段：RESIDUES 34-356 链 B 34–356（323 aa）片段：RESIDUES 34-356	未记录	ZN ZINC ION × 2 ACT ACETATE ION × 6 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 GOL GLYCEROL × 1 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；20% PEG 10 000, 100 MM AMMONIUM ACETATE, 100 MM BIS-TRIS PH 5.5	分辨率 2.27 Å R-free 0.188
4L3O Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 提交 2013-06-06	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 A 55–356（302 aa）片段：UNP residues 55-356	未记录	ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；8.5% PEG 4000, 0.1M MES-NaOH, 0.1M Li2SO4, 0.1M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K	分辨率 2.52 Å R-free 0.263
4L3O Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 提交 2013-06-06	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 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 55–356（302 aa）片段：UNP residues 55-356	未记录	ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；8.5% PEG 4000, 0.1M MES-NaOH, 0.1M Li2SO4, 0.1M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K	分辨率 2.52 Å R-free 0.263
4L3O Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 提交 2013-06-06	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 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 55–356（302 aa）片段：UNP residues 55-356	未记录	ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；8.5% PEG 4000, 0.1M MES-NaOH, 0.1M Li2SO4, 0.1M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K	分辨率 2.52 Å R-free 0.263
4L3O Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5 提交 2013-06-06	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 4 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 55–356（302 aa）片段：UNP residues 55-356	未记录	ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；8.5% PEG 4000, 0.1M MES-NaOH, 0.1M Li2SO4, 0.1M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K	分辨率 2.52 Å R-free 0.263
4R8M Human SIRT2 crystal structure in complex with BHJH-TM1 提交 2014-09-02	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 A 38–356（319 aa）片段：rossmann fold, UNP residues 38-356	未记录	ZN ZINC ION × 1 3LX tridecanethial × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25%(v/v) PEG3350, 0.1M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.273
4R8M Human SIRT2 crystal structure in complex with BHJH-TM1 提交 2014-09-02	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 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 38–356（319 aa）片段：rossmann fold, UNP residues 38-356	未记录	ZN ZINC ION × 1 3LX tridecanethial × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；25%(v/v) PEG3350, 0.1M Hepes buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.273
4RMG Human Sirt2 in complex with SirReal2 and NAD+ 提交 2014-10-21	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.1 M KSCN, 30% (wt/vol) PEG MME 2,000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.88 Å R-free 0.247
4RMG Human Sirt2 in complex with SirReal2 and NAD+ 提交 2014-10-21	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 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 2 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide × 2 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.1 M KSCN, 30% (wt/vol) PEG MME 2,000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.88 Å R-free 0.247
4RMH Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide 提交 2014-10-21	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 A 56–356（301 aa）片段：UNP RESIDUES 56-356	未记录	ZN ZINC ION × 1 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 9；277 K；2.8 M ammonium sulfate, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.42 Å R-free 0.188
4RMI Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide 提交 2014-10-21	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 3TK N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；25% (wt/vol) PEG 3,350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.45 Å R-free 0.282
4RMJ Human Sirt2 in complex with ADP ribose and nicotinamide 提交 2014-10-21	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 × 2 PDB 声明：dimeric	链 A 56–356（301 aa）片段：UNP residues 56-356 链 B 56–356（301 aa）片段：UNP residues 56-356	未记录	AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 NCA NICOTINAMIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1 ZN ZINC ION × 2 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.75；293 K；18% (wt/vol) PEG 10,000, pH 5.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.87 Å R-free 0.240
4X3O Sirt2 in complex with a myristoyl peptide 提交 2014-12-01	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 A 52–355（304 aa）片段：UNP RESIDUES 52-355	未记录	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 3Y0 [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R)-3-oxidanyl-5-sulfanyl-4-tridecoxy-oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；300 K；25% PEG 3350, 0.1M HEPES, 5% Glycerol	分辨率 1.50 Å R-free 0.157
4X3P Sirt2 in complex with a myristoyl peptide 提交 2014-12-01	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 A 52–355（304 aa）片段：UNP RESIDUES 52-355	未记录	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 3LX tridecanethial × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；300 K；25% PEG 3350, 0.1M HEPES, 5% Glycerol	分辨率 1.80 Å R-free 0.173
4Y6L Human SIRT2 in complex with myristoylated peptide (H3K9myr) 提交 2015-02-13	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 A 52–356（305 aa）片段：UNP RESIDUES 52-356	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350	分辨率 1.60 Å R-free 0.232
4Y6L Human SIRT2 in complex with myristoylated peptide (H3K9myr) 提交 2015-02-13	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 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 52–356（305 aa）片段：UNP RESIDUES 52-356	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350	分辨率 1.60 Å R-free 0.232
4Y6O Human SIRT2 in complex with myristoylated peptide (TNF-alphaK20myr) 提交 2015-02-13	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 A 52–356（305 aa）片段：UNP RESIDUES 52-291, 304-356	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350	分辨率 1.60 Å R-free 0.235
4Y6O Human SIRT2 in complex with myristoylated peptide (TNF-alphaK20myr) 提交 2015-02-13	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 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 52–356（305 aa）片段：UNP RESIDUES 52-291, 304-356	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350	分辨率 1.60 Å R-free 0.235
4Y6Q Human SIRT2 in complex with 2-O-myristoyl-ADP-ribose 提交 2015-02-13	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 52–356（305 aa）片段：UNP RESIDUES 52-291, 304-356 链 B 52–356（305 aa）片段：UNP RESIDUES 52-291, 304-356 链 C 52–356（305 aa）片段：UNP RESIDUES 52-291, 304-356 链 D 52–356（305 aa）片段：UNP RESIDUES 52-291, 304-356	未记录	ZN ZINC ION × 4 OMR [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；PEG 2000	分辨率 1.90 Å R-free 0.267
5D7O Crystal structure of Sirt2-ADPR at an improved resolution 提交 2015-08-14	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 × 2 PDB 声明：dimeric	链 A 50–356（307 aa）片段：UNP residues 30-336 链 B 50–356（307 aa）片段：UNP residues 30-336	未记录	ZN ZINC ION × 2 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.25；277 K；0.2 M sodium chloride, 30 % (w/v) PEG 3350, 0.1 M Bis-Tris	分辨率 1.63 Å R-free 0.191
5D7P Crystal structure of human Sirt2 in complex with ADPR and EX-243 提交 2015-08-14	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 × 2 PDB 声明：dimeric	链 A 56–356（301 aa）片段：UNP residues 56-356 链 B 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 2 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 OCZ (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide × 4 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.75；293 K；18 % (w/v) PEG 10000, 0.1 M Bis-Tris	分辨率 1.76 Å R-free 0.224
5D7Q Crystal structure of human Sirt2 in complex with ADPR and CHIC35 提交 2015-08-14	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 × 2 PDB 声明：dimeric	链 A 36–336（301 aa）片段：UNP residues 56-356 链 B 36–336（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 2 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2 4I5 (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.75；293 K；18 % (w/v) PEG 10000, 0.1 M Bis-Tris	分辨率 2.01 Å R-free 0.225
5DY4 Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+ 提交 2015-09-24	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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 56–356（301 aa）片段：residues 56-356	未记录	ZN ZINC ION × 2 5GN N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 2 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；278 K；27 % PEG 3350	分辨率 1.77 Å R-free 0.213
5DY4 Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+ 提交 2015-09-24	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 A 56–356（301 aa）片段：residues 56-356	未记录	ZN ZINC ION × 1 5GN N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；278 K；27 % PEG 3350	分辨率 1.77 Å R-free 0.213
5DY5 Crystal structure of human Sirt2 in complex with a SirReal probe fragment 提交 2015-09-24	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 × 2 PDB 声明：dimeric	链 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 2 5GR N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 2 EDO 1,2-ETHANEDIOL × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 BU3 (R,R)-2,3-BUTANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；17.5 % (wt/v) PEG 3350, 0.1 M HEPES	分辨率 1.95 Å R-free 0.205
5DY5 Crystal structure of human Sirt2 in complex with a SirReal probe fragment 提交 2015-09-24	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 5GR N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide × 1 EDO 1,2-ETHANEDIOL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；17.5 % (wt/v) PEG 3350, 0.1 M HEPES	分辨率 1.95 Å R-free 0.205
5FYQ Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide 提交 2016-03-09	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 A 1–356（356 aa）片段：50-356	未记录	SO4 SULFATE ION × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；0.1 M HEPES PH 7.5 2.0M NH4SO4	分辨率 3.00 Å R-free 0.271
5FYQ Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide 提交 2016-03-09	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 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 1–356（356 aa）片段：50-356	未记录	SO4 SULFATE ION × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；0.1 M HEPES PH 7.5 2.0M NH4SO4	分辨率 3.00 Å R-free 0.271
5G4C Human SIRT2 catalyse short chain fatty acyl lysine 提交 2016-05-09	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 A 34–356（323 aa）片段：CATALYTIC DOMAIN, RESIDUES 34-356	未记录	ZN ZINC ION × 1 CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.2；291 K；12% PEG 8K, 0.1 M HEPES, PH 7.5, 5% ISOPROPANOL	分辨率 2.10 Å R-free 0.220
5G4C Human SIRT2 catalyse short chain fatty acyl lysine 提交 2016-05-09	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 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 34–356（323 aa）片段：CATALYTIC DOMAIN, RESIDUES 34-356	未记录	CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.2；291 K；12% PEG 8K, 0.1 M HEPES, PH 7.5, 5% ISOPROPANOL	分辨率 2.10 Å R-free 0.220
5MAR Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose. 提交 2016-11-04	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 56–356（301 aa）	未记录	ZN ZINC ION × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 7KE 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol × 1 EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 5 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；15-18 % PEG 10,000, 0.1M ammonium acetate, and 0.1M Bis-Tris pH 5.8	分辨率 1.89 Å R-free 0.194
5MAR Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose. 提交 2016-11-04	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 56–356（301 aa）	未记录	ZN ZINC ION × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 7KE 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol × 1 DMS DIMETHYL SULFOXIDE × 4 GOL GLYCEROL × 2 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；15-18 % PEG 10,000, 0.1M ammonium acetate, and 0.1M Bis-Tris pH 5.8	分辨率 1.89 Å R-free 0.194
5MAT Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor 提交 2016-11-04	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 × 2 PDB 声明：dimeric	链 A 56–356（301 aa）链 C 56–356（301 aa）	未记录	ZN ZINC ION × 2 7KJ (7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one × 1 SO4 SULFATE ION × 14 PG4 TETRAETHYLENE GLYCOL × 1 P6G HEXAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.83；293 K；2.6M ammonium sulfate, 5% PEG 300, 0.1 M MES	分辨率 2.07 Å
5Y0Z Human SIRT2 in complex with a specific inhibitor, NPD11033 提交 2017-07-19	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 52–356（305 aa）片段：UNP residues 52-356	突变：deletion mutation 292-303	ZN ZINC ION × 1 8K9 (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；25%(w/v) PEG 3350, 0.1M BisTris, pH 5.5	分辨率 2.00 Å R-free 0.242
5Y0Z Human SIRT2 in complex with a specific inhibitor, NPD11033 提交 2017-07-19	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 52–356（305 aa）片段：UNP residues 52-356	突变：deletion mutation 292-303	ZN ZINC ION × 1 8K9 (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；25%(w/v) PEG 3350, 0.1M BisTris, pH 5.5	分辨率 2.00 Å R-free 0.242
5Y5N Crystal structure of human Sirtuin 2 in complex with a selective inhibitor 提交 2017-08-09	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 34–356（323 aa）	未记录	ZN ZINC ION × 1 8NO 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；289 K；0.1M Bis-Tris buffer pH 5.5 15%(w/v) PEG5000 MME	分辨率 2.30 Å R-free 0.252
5YQL Crystal structure of Sirt2 in complex with selective inhibitor A2I 提交 2017-11-07	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 56–356（301 aa）	未记录	A2I 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide × 1 ZN ZINC ION × 1 BME BETA-MERCAPTOETHANOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.2M Magnesium Formate, 23-30% (v/v) Polyethylene glycol 3350	分辨率 1.60 Å R-free 0.185
5YQM Crystal structure of Sirt2 in complex with selective inhibitor A29 提交 2017-11-07	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 56–356（301 aa）	未记录	ZN ZINC ION × 1 A2X 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide × 1 BME BETA-MERCAPTOETHANOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES PH6.8, 25%-30% PEG 3350	分辨率 1.74 Å R-free 0.220
5YQN Crystal structure of Sirt2 in complex with selective inhibitor L55 提交 2017-11-07	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 56–356（301 aa）	未记录	ZN ZINC ION × 1 L55 N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES PH7.4, 30% PEG 3350	分辨率 1.60 Å R-free 0.204
5YQO Crystal structure of Sirt2 in complex with selective inhibitor L5C 提交 2017-11-07	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 56–356（301 aa）	未记录	ZN ZINC ION × 1 L5C N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；2.1M DL-malic acid PH7.0	分辨率 1.48 Å R-free 0.193
6L65 Sirtuin 2 protein with H3K18 myristoylated peptide 提交 2019-10-28	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 A 50–355（306 aa）	未记录	ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 6.5；293.1 K；0.1M MES, pH 6.5, 6%-20% (w/v) PEG 10000	分辨率 1.80 Å R-free 0.218
6L66 Sirtuin 2 protein with H3K18 myristoylated peptide and intact NAD molecule 提交 2019-10-28	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 A 52–355（304 aa）	未记录	ZN ZINC ION × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 3LX tridecanethial × 1	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 6.5；291.15 K；0.1M MES, pH 6.5, 6%-20% (w/v) PEG 10000	分辨率 2.17 Å R-free 0.234
6L71 Sirtuin 2 demyristoylation native intermediate I & II mixture 提交 2019-10-30	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 A 52–355（304 aa）	未记录	NCA NICOTINAMIDE × 1 YOY [[(2S,3aS,5S,6R,6aS)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1 YDD [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M MES, pH 6.5, 6%-20% (w/v) PEG 10000	分辨率 2.11 Å R-free 0.224
6L72 Sirtuin 2 demyristoylation native final product 提交 2019-10-30	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 52–355（304 aa）	未记录	OMR [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M MES, pH=6.5, 6%-20% (w/v) PEG10000	分辨率 2.50 Å R-free 0.243
6NR0 SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose 提交 2019-01-22	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 × 2 PDB 声明：monomeric	链 A 1–319（319 aa）链 B 1–319（319 aa）	未记录	ZN ZINC ION × 2 KXJ N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide × 2 KXG [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate × 2 NA SODIUM ION × 4 SO4 SULFATE ION × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；Mixed solution of 0.44 mM protein (in buffer of 20 mM Tris/HCl pH 7.5, 160 mM NaCl) 2.5 mM NAD+, 2.5 mM Glucose-TM-1beta with an equal volume of well solution of 2 M (NH4)2SO4, 80 mM Na Acetate/HCl pH 5.0	分辨率 2.45 Å R-free 0.256
6NR0 SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose 提交 2019-01-22	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 A 1–319（319 aa）	未记录	ZN ZINC ION × 1 KXJ N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide × 1 KXG [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate × 1 NA SODIUM ION × 2 SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；Mixed solution of 0.44 mM protein (in buffer of 20 mM Tris/HCl pH 7.5, 160 mM NaCl) 2.5 mM NAD+, 2.5 mM Glucose-TM-1beta with an equal volume of well solution of 2 M (NH4)2SO4, 80 mM Na Acetate/HCl pH 5.0	分辨率 2.45 Å R-free 0.256
6QCN Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin 提交 2018-12-29	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 55–356（302 aa）	未记录	ZN ZINC ION × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1 QUE 3,5,7,3',4'-PENTAHYDROXYFLAVONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；14% PEG 10,000, 0.1M ammonium acetate pH 5.8	分辨率 2.23 Å R-free 0.234
6QCN Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin 提交 2018-12-29	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 55–356（302 aa）	未记录	ZN ZINC ION × 1 AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；14% PEG 10,000, 0.1M ammonium acetate pH 5.8	分辨率 2.23 Å R-free 0.234
7BOS Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13 提交 2020-03-19	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 A 52–356（305 aa）片段：residues52-356, lacking292-303	未记录	ZN ZINC ION × 1 F4R N-dodecylmethanethioamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.1M HEPES pH 7.0, 30% v/v Jeffamine ED-2001	分辨率 1.70 Å R-free 0.263
7BOT Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23 提交 2020-03-19	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 A 52–356（305 aa）片段：residues52-356, lacking292-303	未记录	ZN ZINC ION × 1 F4R N-dodecylmethanethioamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.15M Potassium bromide, 30% (w/v) Polyethylene glycol monomethyl ether 2000	分辨率 1.70 Å R-free 0.320
7T1D Human SIRT2 in complex with small molecule 359 提交 2021-12-01	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 × 2 PDB 声明：dimeric	链 A 56–356（301 aa）链 B 56–356（301 aa）	未记录	ZN ZINC ION × 2 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 7 DMS DIMETHYL SULFOXIDE × 2 E7K 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；293.15 K；Crystals of SIRT2 in complex with FLS-359 were obtained using hanging-drop vapour diffusion setups. SIRT2 at a concentration of 21.9 mg/ml (50 mM Hepes-NaOH, 150 mM NaCl, pH 8.0) was preincubated with 3.6 mM (5.7-fold molar excess) of FLS-359 (100 mM in DMSO) for 1 h. 1 ul of the protein solution was then mixed with 2 ul of reservoir solution (0.1 M Hepes-NaOH pH 6.6, 0.3 M Li2SO4, 21 % (w/v) PEG 3350) and streak seeded before being equilibrated at 20C over 0.2 ml of reservoir solution. Well diffracting crystals grew as thick aggregates of thin plates and were mounted within 19 days	分辨率 1.75 Å R-free 0.213
8OWZ Crystal structure of human Sirt2 in complex with a triazole-based SirReal 提交 2023-04-28	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 56–356（301 aa）片段：UNP residues 56-356	未记录	KZU 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide × 1 EDO 1,2-ETHANEDIOL × 4 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 BU3 (R,R)-2,3-BUTANEDIOL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；298 K；25 % PEG 3,350 , 0.1 M Bis-Tris pH 6.5	分辨率 1.65 Å R-free 0.198
8PY3 Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor 提交 2023-07-24	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 I1R 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；25 % PEG 3,350, 0.22 M Bis-Tris pH 6.5	分辨率 1.65 Å R-free 0.185
8QOO Crystal structure of human Sirt2 in complex with the peptide-based pseudo-inhibitor TNFn-4.1 提交 2023-09-29	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1 EDO 1,2-ETHANEDIOL × 1 WH8 (2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic acid × 1 WGN (2S,3R)-3-dodecylsulfanyl-2-methyl-butanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；19 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.25	分辨率 1.55 Å R-free 0.190
8QT0 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 提交 2023-10-12	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 WWE 3-dodecylsulfanyl-3-methyl-butanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；6.25 % (w/v) PEG 2,000, 6.25 % (w/v) PEG 3,350, 6.25 % (w/v) PEG 4,000, 6.25 % (w/v) PEG MME 5,000, 0.1 M HEPES pH 7.5	分辨率 1.85 Å R-free 0.213
8QT1 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 提交 2023-10-12	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 WU3 (2S)-2-dodecylsulfanylpropanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25 % (w/v) PEG 3,350 in 0.1 M Tris pH 8.5	分辨率 1.55 Å R-free 0.194
8QT2 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 提交 2023-10-12	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1 WU8 3-dodecylsulfanyl-2,2-dimethyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；26.5 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.5.	分辨率 1.65 Å R-free 0.197
8QT3 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+ 提交 2023-10-12	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 3 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 WU3 (2S)-2-dodecylsulfanylpropanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；24 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.0	分辨率 1.55 Å R-free 0.201
8QT4 Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 and NAD+ 提交 2023-10-12	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 4 BTB 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1 PGE TRIETHYLENE GLYCOL × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 WU8 3-dodecylsulfanyl-2,2-dimethyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.5	分辨率 1.55 Å R-free 0.188
8QT8 Crystal structure of human Sirt2 in complex with a TNFa-Myr analogue TNFn-34 提交 2023-10-12	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 WWK 3-dodecylsulfanylpropanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；19 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.7	分辨率 1.65 Å R-free 0.212
8QTU Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 and NAD+ 提交 2023-10-13	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 EDO 1,2-ETHANEDIOL × 1 WWE 3-dodecylsulfanyl-3-methyl-butanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；21.5 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.25	分辨率 1.80 Å R-free 0.207
8TGP Crystal structure of SIRT2 with FAM-PEG4-H4K16(myristoyl) peptide 提交 2023-07-12	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 A 34–356（323 aa）	未记录	ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2 M MES monohydrate pH 6.5 (NaOH), 20% w/v PEG 4,000	分辨率 1.76 Å R-free 0.230
8XE7 Crystal structure of human Sirt2 without Sirt2-specific insertion 提交 2023-12-11	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 52–357（306 aa）	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；288 K；Bis-Tris (pH6.0), PEG 3350	分辨率 1.95 Å R-free 0.256
9DPD Cryo-EM structure of SerRS dimer in complex with one SIRT2 提交 2024-09-21	构建体不同聚集状态不同配体/离子不同实验方法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 × 3 PDB 声明：trimeric	链 C 1–389（389 aa）	未记录	AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 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 3.87 Å
9DPI Cryo-EM structure of SerRS dimer in complex with two SIRT2 提交 2024-09-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法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 × 4 PDB 声明：tetrameric	链 C 1–389（389 aa）链 E 1–389（389 aa）	未记录	AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE × 2	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5；in 25mM HEPES-Na pH7.5, 150mM NaCl cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.90 Å
9FDR Crystal structure of human Sirt2 in apo form with opened selectivity pocket 提交 2024-05-17	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 3 PG4 TETRAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；31 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.5	分辨率 1.25 Å R-free 0.189
9FDS Crystal structure of human Sirt2 in complex with SirReal2 提交 2024-05-17	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 3 3TE 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；27 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.75; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	分辨率 1.40 Å R-free 0.198
9FDT Crystal structure of human Sirt2 in complex with a pyrazole-based fragment inhibitor 提交 2024-05-17	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 3 A1IBW [2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；33 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.75; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	分辨率 1.60 Å R-free 0.210
9FDU Crystal structure of human Sirt2 in complex with a pyridine-3-carbothioamide-based fragment inhibitor 提交 2024-05-17	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 3 A1IBX 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carbothioamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；33 % (w/v) PEG 3,350, 0.1 M HEPES pH 8.0; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	分辨率 1.55 Å R-free 0.215
9FDW Crystal structure of human Sirt2 in complex with a 3-chlorobenzamide-based fragment inhibitor 提交 2024-05-17	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 56–356（301 aa）片段：UNP residues 56-356	未记录	A1IBY 3-chloranyl-~{N}-(pyridin-2-ylmethyl)benzamide × 2 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 3 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；31 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.75; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	分辨率 1.60 Å R-free 0.214
9FDX Crystal structure of human Sirt2 in complex with the peptide-based inhibitor KT9 提交 2024-05-17	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 3 EDO 1,2-ETHANEDIOL × 2 A1IBZ (2~{S})-2-acetamido-~{N}-[(2~{S},3~{R})-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]-6-[[(3~{R})-3-(3,4-dichlorophenyl)sulfanylbutanoyl]amino]hexanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；29 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.25; Inhibitor has been soaked in same condition with addition of 10 % (v/v) DMSO for 24h.	分辨率 1.55 Å R-free 0.206
9FRU Crystal structure of human Sirt2 in complex with a pyrazole-based fragment inhibitor and NAD+ 提交 2024-06-19	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 A1IBW [2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；28 % (w/v) PEG 3,350, 0.1 M HEPES pH 7.5; Inhibitor and NAD+ have been soaked in same condition with addition of 10 % (v/v) DMSO for 1h.	分辨率 2.00 Å R-free 0.229
9S1Z Crystal structure of human SIRT2 in complex with the covalent adduct of SirReal-triazole inhibitor Mz242 and ADP-ribose 提交 2025-07-21	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 56–356（301 aa）片段：UNP residues 56-356	未记录	A1JK7 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-[5-[[3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]-3-(2-methoxyethyl)-1$l^{4},2,3-triazacyclopenta-1,4-dien-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-Mz242-ADPR complex (14.0 mg/mL SIRT2, 10 mM NAD+, 0.5 mM Mz242 with 5 % (v/v) final DMSO concentration) formed after three days, with a reservoir solution containing 24 % (w/v) PEG MME 2000 in 0.1 M Bis-Tris at pH 6.5.	分辨率 1.10 Å R-free 0.177
9S20 Crystal structure of human SIRT2 in complex with SirReal-triazole inhibitor SH10 提交 2025-07-21	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 BU3 (R,R)-2,3-BUTANEDIOL × 2 EDO 1,2-ETHANEDIOL × 1 A1JK0 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-[[1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-SH10 complex (18.0 mg/mL SIRT2, 10 mM NAD+, 1.67 mM of SH10 with 1.67 % (v/v) final DMSO concentration) formed after two days in wells of protein solution and reservoir solution containing 19 % (w/v) PEG 3350 in 0.1 M Bis-Tris at pH 6.5.	分辨率 1.50 Å R-free 0.182
9S21 Crystal structure of human SIRT2 in complex with SirReal-triazole inhibitor LG023 提交 2025-07-21	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 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 A1JK1 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-(1~{H}-1,2,3-triazol-4-ylmethoxy)phenyl]methyl]-1,3-thiazol-2-yl]ethanamide × 1 BU3 (R,R)-2,3-BUTANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-LG023 complex (11.4 mg/mL SIRT2, 3.33 mM of LG023 with 3.33 % (v/v) final DMSO concentration) formed after one day via microseed matrix screening using crystals from the SIRT2-Mz242 complex (PDB 8OWZ) in wells with equal volume of protein solution and reservoir solution containing 32% (w/v) PEG MME 2000 in 0.1 M Bis-Tris at pH 6.5.	分辨率 1.55 Å R-free 0.204
9S23 Crystal structure of human SIRT2 in complex with peptide triazole inhibitor OTDi1 提交 2025-07-21	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 A1JK5 4-dodecyl-1-ethyl-1,2,3-triazole × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-OTDi1 complex (11.0 mg/mL SIRT2, 5 mM of OTDi1 with 2.5 % (v/v) final DMSO concentration) formed after one day in wells with an equal volume of protein solution and reservoir solution containing 21.5 % (w/v) PEG 3350 in 0.1 M Bis-Tris at pH 6.7.	分辨率 2.30 Å R-free 0.259
9S24 Crystal structure of human SIRT2 in complex with the covalent adduct of peptide triazole inhibitor OTDi1 and ADP-ribose 提交 2025-07-21	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 A1JK4 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-(5-dodecyl-3-ethyl-1,2,3$l^{4}-triazacyclopenta-2,4-dien-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-[OTDi1-ADPR] complex (11.0 mg/mL SIRT2, 20 mM NAD+, 5 mM of OTDi1 with 2.5 % (v/v) final DMSO concentration) formed after one day in wells with an equal volume of protein solution and reservoir solution containing 26.5 % (w/v) PEG 3350 in 0.1 M HEPES at pH 7.5.	分辨率 2.10 Å R-free 0.229
9S25 Crystal structure of human SIRT2 in complex with peptide triazole inhibitor LTDi1 提交 2025-07-21	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 A1JK3 4-dodecyl-1-propyl-1,2,3-triazole × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-LDTi1 complex (11.0 mg/mL SIRT2, 5 mM of LTDi1 with 2.5 % (v/v) final DMSO concentration) formed after one day in wells with an equal volume of protein solution and reservoir solution containing 31.5 % (w/v) PEG 3350 in 0.1 M HEPES at pH 7.5.	分辨率 2.10 Å R-free 0.226
9S26 Crystal structure of human SIRT2 in complex with the covalent adduct of peptide triazole inhibitor LTDi1 and ADP-ribose 提交 2025-07-21	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 A 56–356（301 aa）片段：UNP residues 56-356	未记录	ZN ZINC ION × 1 A1JK8 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-(5-dodecyl-3-propyl-1,2,3$l^{4}-triazacyclopenta-2,4-dien-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；Crystals of the SIRT2-[LTDi1-ADPR] complex (11.0 mg/mL SIRT2, 20 mM NAD+, 5 mM of LTDi1 with 2.5 % (v/v) final DMSO concentration) formed after one day in wells with protein solution and reservoir solution containing 29 % (w/v) PEG 3350 and 0.1 M HEPES at pH 7.5.	分辨率 2.30 Å R-free 0.252
9S44 Human Histone Deacetylase SIRT2 提交 2025-07-25	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 56–356（301 aa）	未记录	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.2 M ammonium formate 20 % (w/v) PEG3350	分辨率 2.15 Å R-free 0.274
9S46 Human SIRT2 in Complex with RW-78 提交 2025-07-25	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 56–356（301 aa）	未记录	A1JLK ~{N}-[2-chloranyl-4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide × 1 ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M sodium acetate 17 % (w/v) PEG3350	分辨率 1.45 Å R-free 0.190
9S48 Human SIRT2 in Complex with RW-80 提交 2025-07-25	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 56–356（301 aa）	未记录	ZN ZINC ION × 1 A1JLL ~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]-2-iodanyl-phenyl]-1-methyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 7 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1 M sodium acetate 17 % (w/v) PEG 3350	分辨率 1.45 Å R-free 0.187
9V7W SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 3 提交 2025-05-28	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 A 50–356（307 aa）	未记录	PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 8 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 GOL GLYCEROL × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；Tris 8.0, 25% PEG 2000MME	分辨率 1.86 Å R-free 0.231
9VEM SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 1 提交 2025-06-09	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 A 52–355（304 aa）	未记录	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 5 GOL GLYCEROL × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289 K；Tris 8.0, 25% PEG 2000MME	分辨率 2.57 Å R-free 0.264
9VEW SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 2 提交 2025-06-10	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 A 52–355（304 aa）	未记录	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289 K；Tris 8.0, 25% PEG 2000MME	分辨率 2.68 Å R-free 0.251
9VG0 SIRT2 structure in complex with H3K18myr peptide 提交 2025-06-12	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 A 50–356（307 aa）	未记录	EDO 1,2-ETHANEDIOL × 5 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289 K；Tris 8.0, 25% PEG 2000MME	分辨率 1.61 Å R-free 0.231
9VG3 SIRT2 structure in complex with H3K18myr peptide: pre NAD binding state 提交 2025-06-12	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 A 57–356（300 aa）	未记录	EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；Tris 8.0, 25% PEG2000MME	分辨率 2.15 Å R-free 0.251
9VGE SIRT2 demyristoylation intermediate I structure 提交 2025-06-13	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 A 50–356（307 aa）	未记录	NCA NICOTINAMIDE × 1 GOL GLYCEROL × 1 ZN ZINC ION × 1 YDD [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；Tris 8.0, 25% PEG 2000MME	分辨率 2.56 Å R-free 0.282
9VGZ SIRT2-F96A structure in complex with H3K18myr peptide and native NAD 提交 2025-06-15	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 50–356（307 aa）	突变：F96A	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 EDO 1,2-ETHANEDIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；Tris 8.0, 25% PEG 2000MME	分辨率 2.34 Å R-free 0.236
9VH0 SIRT2-H187A structure in complex with H3K18myr peptide and native NAD 提交 2025-06-16	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 54–355（302 aa）	突变：H187A	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；289 K；0.1 M MES 5.5, 9.2% PEG10000	分辨率 2.41 Å R-free 0.273
9VH0 SIRT2-H187A structure in complex with H3K18myr peptide and native NAD 提交 2025-06-16	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 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 54–355（302 aa）	突变：H187A	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 ZN ZINC ION × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；289 K；0.1 M MES 5.5, 9.2% PEG10000	分辨率 2.41 Å R-free 0.273

共 77 个其他 PDB 条目、97 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	SIR2_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 4–304； UniProt 56–356

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

▼

2. 结构基本信息 2. Structure Basics

条目编号 entry_id	9s22
沉积日期 deposition_date	2025-07-21
结构标题 title	Crystal structure of human SIRT2 in complex with the covalent adduct of SirReal-triazole inhibitor LG023 and ADP-ribose
关键词 keywords	Sirtuins, Inhibitor, Covalent adduct, Deacetylation, HYDROLASE; HYDROLASE
实验方法 method	X-RAY DIFFRACTION

▼

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

回转半径 Rg (Guinier) rg_guinier	20.64 Å
回转半径 Rg (电子) rg_electron	19.86 Å
零角强度 I(0) i0	39501500.00
分子量 molecular_weight	32578.0 kDa
排除体积 excluded_volume	31517 Å³
包络体积 envelope_volume	50203 Å³
水化壳体积 shell_volume	21140 Å³
包络直径 envelope_diameter	70.8 Å
壳层 Rg shell_rg	26.38 Å
包络 Rg envelope_rg	20.19 Å
形状 Rg shape_rg	19.84 Å
总 Rg total_rg	20.53 Å
总原子数 total_atoms	2451
残基数 n_residues	300
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

▼

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

最大尺寸 Dmax dmax	69.4 Å
Rg (实空间) rg_real	20.59 Å
Rg 误差 (实空间) rg_real_error	0.42 Å
I(0) (实空间) i0_real	3.9500e+07
I(0) 误差 (实空间) i0_real_error	4.9520e+05
Rg (倒空间) rg_reciprocal	20.60 Å
I(0) (倒空间) i0_reciprocal	39500000.0000
解质量估计 total_estimate	0.8763
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	24.1 Å
偏度 Skewness skewness	0.332
峰度 Kurtosis kurtosis	-0.292
角度范围 angular_range	— – 0.3850 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	6352000.0000
实空间数据点数 n_real_points	70
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.803; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.984

▶

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

▶

6. 实体与聚合物信息 Entities & Polymers (4)

实体 1 Entity 1 polymer

描述 description	NAD-dependent protein deacetylase sirtuin-2
分子量 formula_weight	34416.7 kDa
EC 编号 ec_number	3.5.1.-
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	2597

GHMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS

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	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 non-polymer

描述 description	;[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-[5-[[3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate ;
分子量 formula_weight	1008.9 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 4 Entity 4 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	126

▶

8. 引用文献 (1)

▶

晶胞边长 a length_a	102.614 Å
晶胞边长 b length_b	47.457 Å
晶胞边长 c length_c	74.795 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	108.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	4

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	1.950 Å
最低分辨率 resolution_low	71.140 Å
R 因子 r_factor	0.1797
R_work r_work	0.1779
R_free r_free	0.2143

fit	/app/data/saxs_computation/s2/9s22/9s22.fit
pddf	/app/data/pr_computation/s2/9s22/9s22.pr.out
profile	/app/data/saxs_computation/s2/9s22/9s22.dat