5f36

Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12

Method: X-RAY DIFFRACTION D_max: 62.3 Å Quality: GOOD

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

ATPase family AAA domain-containing protein 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 981–1108	片段：UNP residues 981-1108	5UE [(2~{R})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.50 Å R-free 0.190

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 5F36	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
3DAI Crystal structure of the bromodomain of the human ATAD2 提交 2008-05-29	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 981–1108（128 aa）片段：Residues 981-1108	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.95 Å R-free 0.240
4QSP Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with acetyl-lysine 提交 2014-07-06	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	ALY N(6)-ACETYLLYSINE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 9	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.60 Å R-free 0.194
4QSP Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with acetyl-lysine 提交 2014-07-06	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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	ALY N(6)-ACETYLLYSINE × 2 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 18	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.60 Å R-free 0.194
4QSQ Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound DMSO 提交 2014-07-06	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 12	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.80 Å R-free 0.194
4QSR Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound MPD 提交 2014-07-06	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 2.00 Å R-free 0.198
4QSR Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound MPD 提交 2014-07-06	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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 6 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 2.00 Å R-free 0.198
4QSS Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP) 提交 2014-07-06	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 GOL GLYCEROL × 1 MB3 1-methylpyrrolidin-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 2.00 Å R-free 0.192
4QSS Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP) 提交 2014-07-06	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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 6 GOL GLYCEROL × 2 MB3 1-methylpyrrolidin-2-one × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 2.00 Å R-free 0.192
4QST Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one 提交 2014-07-06	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	12Q 1-METHYLQUINOLIN-2(1H)-ONE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 15	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 2.05 Å R-free 0.222
4QST Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one 提交 2014-07-06	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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	12Q 1-METHYLQUINOLIN-2(1H)-ONE × 2 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 30	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 2.05 Å R-free 0.222
4QSU Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine 提交 2014-07-06	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 7 TDR THYMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.90 Å R-free 0.203
4QSU Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine 提交 2014-07-06	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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 14 TDR THYMINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.90 Å R-free 0.203
4QSV Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymidine 提交 2014-07-06	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 8 THM THYMIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.90 Å R-free 0.212
4QSW Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 5-methyl uridine 提交 2014-07-06	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 5 38T 5-methyluridine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.80 Å R-free 0.205
4QSX Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine 提交 2014-07-06	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 5 38S 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.93 Å R-free 0.207
4QUT Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)12 提交 2014-07-12	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 11	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.70 Å R-free 0.180
4QUU Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)5 提交 2014-07-12	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 981–1108（128 aa）片段：bromodomain (residues 981-1108)	未记录	SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 9	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K	分辨率 1.80 Å R-free 0.200
4TT2 Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide 提交 2014-06-19	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 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	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 5.5；278 K；0.1M Ammonium Acetate, 100mM Bis-Tris pH5.5, 15-20% (w/v) PEG 10000	分辨率 2.50 Å R-free 0.267
4TT4 Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide 提交 2014-06-19	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 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108) 链 B 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	未记录	SO4 SULFATE ION × 4 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；278 K；2.0M Ammonium sulfate, 100mM Tris pH8.5.	分辨率 2.70 Å R-free 0.240
4TT6 Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form 提交 2014-06-19	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 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	突变：N1063A and Y1064A	SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；278 K；2.0M Ammonium sulfate, 0.1M Bis-Tris pH5.5	分辨率 2.00 Å R-free 0.177
4TTE Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate 提交 2014-06-20	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 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	未记录	SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 36Z methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；2.1-2.4M Ammonium Sulfate, 0.1M Bis-Tris pH5.5, 10% Glycerol	分辨率 1.80 Å R-free 0.197
4TU4 Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid 提交 2014-06-23	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 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	未记录	SO4 SULFATE ION × 1 GOL GLYCEROL × 2 37N 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid × 1 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；2.1-2.4M Ammonium Sulfate, 0.1M Bis-Tris pH 5.5, 10% Glycerol.	分辨率 1.73 Å R-free 0.197
4TU6 Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation 提交 2014-06-23	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 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；273 K；0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG3350	分辨率 2.27 Å R-free 0.248
4TU6 Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation 提交 2014-06-23	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 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；273 K；0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG3350	分辨率 2.27 Å R-free 0.248
4TU6 Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation 提交 2014-06-23	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 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；273 K；0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG3350	分辨率 2.27 Å R-free 0.248
4TU6 Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation 提交 2014-06-23	构建体不同配体/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 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	未记录	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；273 K；0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG3350	分辨率 2.27 Å R-free 0.248
4TYL Fragment-Based Screening of the Bromodomain of ATAD2 提交 2014-07-08	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 981–1108（128 aa）片段：UNP residues 981-1108	未记录	SO4 SULFATE ION × 1 CL CHLORIDE ION × 4 39O 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris, pH 5.5, 2.5 M (NH4)2SO4. Ligand-free crystals grown at 277K, then soaked with ligand at 291K	分辨率 1.85 Å R-free 0.197
4TZ2 Fragment-Based Screening of the Bromodomain of ATAD2 提交 2014-07-09	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 981–1108（128 aa）片段：UNP residues 981-1108	非标准单体：是（mmCIF未提供具体位点）	SO4 SULFATE ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 39R 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1 M Bis-Tris, pH 6.0, 2.2 M (NH4)2SO4, 10% glycerol	分辨率 1.70 Å R-free 0.201
4TZ8 Structure of human ATAD2 bromodomain bound to fragment inhibitor 提交 2014-07-09	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 981–1108（128 aa）片段：UNP residues 981-1108	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 39U 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M Bis-Tris, pH 5.5, 2.5 M (NH4)2SO4, crystals generated at 277 K, fragment soaked at 291 K overnight	分辨率 2.15 Å R-free 0.231
5A5O Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 1,2-dihydroquinolin-2-one 提交 2015-06-20	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 981–1108（128 aa）片段：BROMODOMAIN, UNP RESIDUES 981-1108	未记录	EDO 1,2-ETHANEDIOL × 3 J5I 3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE,20-25% PEG3350	分辨率 2.04 Å R-free 0.199
5A5P Crystal structure of human ATAD2 bromodomain in complex with 8-2-(dimethylamino)ethylamino-3-methyl-1,2-dihydroquinolin-2-one 提交 2015-06-20	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 981–1108（128 aa）片段：BROMODOMAIN, RESIDUES 981-1108	未记录	EDO 1,2-ETHANEDIOL × 2 JTF 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE,20-25% PEG3350	分辨率 2.03 Å R-free 0.208
5A5Q Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one hydrochloride 提交 2015-06-20	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 981–1108（128 aa）片段：BROMODOMAIN, RESIDUES 981-1108	未记录	EDO 1,2-ETHANEDIOL × 2 6XC 3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE,20-25% PEG3350	分辨率 1.97 Å R-free 0.252
5A5R Crystal structure of human ATAD2 bromodomain in complex with 5-5- methoxypyridin-3-yl-3-methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7- naphthyridin-2-one 提交 2015-06-20	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 981–1108（128 aa）片段：BROMODOMAIN, RESIDUES 981-1108	未记录	EDO 1,2-ETHANEDIOL × 4 NP8 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one × 2 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE,20-25% PEG3350	分辨率 2.01 Å R-free 0.200
5A81 Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one 提交 2015-07-11	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 981–1108（128 aa）片段：BROMODOMAIN, RESIDUES 981-1108	未记录	EDO 1,2-ETHANEDIOL × 2 78J (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.03 Å R-free 0.219
5EPB Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49 提交 2015-11-11	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 981–1108（128 aa）片段：UNP residues 981-1108	未记录	5QW ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.50 Å R-free 0.186
5F3A Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14 提交 2015-12-02	配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）片段：UNP residues 981-1108	未记录	SO4 SULFATE ION × 1 5U9 ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.60 Å R-free 0.210
5LJ0 Crystal structure of human ATAD2 bromodomain in complex with 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one 提交 2016-07-17	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 981–1108（128 aa）	未记录	EDO 1,2-ETHANEDIOL × 4 6XX 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；0.1M trisHCl, pH 7.0-8.0, 1.2-1.5M ammonium sulphate, 20-25% PEG3350,277K	分辨率 1.82 Å R-free 0.183
5QXI PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC587 提交 2020-02-11	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 981–1108（128 aa）	未记录	RGY (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol × 1 TQS (4R,4aR,7aS,9R)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.64 Å R-free 0.177
5QXJ PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC578 提交 2020-02-11	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 981–1108（128 aa）	未记录	RGV (3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.46 Å R-free 0.188
5QXK PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC581 提交 2020-02-11	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 981–1108（128 aa）	未记录	RGM (3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.72 Å R-free 0.184
5QXL PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776 提交 2020-02-11	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 981–1108（128 aa）	未记录	RGD cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.57 Å R-free 0.175
5QXM PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789 提交 2020-02-11	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 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 6 RHJ cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.50 Å R-free 0.179
5QXN PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF826 提交 2020-02-11	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 981–1108（128 aa）	未记录	RHG (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine × 3 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.41 Å R-free 0.190
5QXO PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF848 提交 2020-02-11	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 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 RH7 methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.47 Å R-free 0.187
5QXP PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ732 提交 2020-02-11	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 981–1108（128 aa）	未记录	RH4 methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.41 Å R-free 0.190
5QXQ PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ779 提交 2020-02-11	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 981–1108（128 aa）	未记录	RHV ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.55 Å R-free 0.175
5QXR PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF849 提交 2020-02-11	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 981–1108（128 aa）	未记录	RHY 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.66 Å R-free 0.192
5QXS PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF852 提交 2020-03-09	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 981–1108（128 aa）	未记录	RJ4 (4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.62 Å R-free 0.196
5QXT PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH47 提交 2020-02-11	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 981–1108（128 aa）	未记录	RJ7 ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.55 Å R-free 0.176
5QXU PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ373 提交 2020-02-11	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 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 5 RJD (3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.65 Å R-free 0.196
5QXV PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC631 提交 2020-02-11	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 981–1108（128 aa）	未记录	RJG (3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.74 Å R-free 0.198
5QXW PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ189 提交 2020-02-11	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 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 RJJ (5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.78 Å R-free 0.185
5QXX PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ99 提交 2020-02-11	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 981–1108（128 aa）	未记录	RK1 (7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.58 Å R-free 0.185
5QXY PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH93A 提交 2020-02-11	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 981–1108（128 aa）	未记录	RK7 ethyl (2R,3S)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.54 Å R-free 0.172
5QXZ PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF853 提交 2020-02-11	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 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 5 RKG methyl (4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carboxylate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.64 Å R-free 0.180
5QY0 PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC591 提交 2020-03-09	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 981–1108（128 aa）	未记录	RKJ (4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.89 Å R-free 0.185
5R4E PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ201 提交 2020-02-21	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 981–1108（128 aa）	未记录	RQP (5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.83 Å R-free 0.264
5R4F PanDDA analysis group deposition of ground-state model of ATAD2 提交 2020-02-21	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 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5	分辨率 1.44 Å R-free 0.177
5R4V XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13475a 提交 2020-02-28	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 981–1108（128 aa）	未记录	JMM [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5	分辨率 1.29 Å R-free 0.153
5R4W XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13501a 提交 2020-02-28	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 981–1108（128 aa）	未记录	RWP methyl 4-[(trifluoroacetyl)amino]benzoate × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5	分辨率 1.47 Å R-free 0.161
5R4X XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13413a 提交 2020-02-28	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 981–1108（128 aa）	未记录	K3D 4-acetyl-N-ethylpiperazine-1-carboxamide × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5	分辨率 1.40 Å R-free 0.159
5R4Y XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13612a 提交 2020-02-28	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 981–1108（128 aa）	未记录	GX4 cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5	分辨率 1.84 Å R-free 0.198
5R4Z XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13605a 提交 2020-02-28	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 981–1108（128 aa）	未记录	GWA ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5	分辨率 1.46 Å R-free 0.162
6CPS Crystal structure of the bromodomain of human ATAD2 with a disulfide bridge 提交 2018-03-14	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 981–1108（128 aa）片段：bromodomain (UNP residues 981-1108)	未记录	SO4 SULFATE ION × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES sodium, pH 7.5, 1.6 M lithium sulfate	分辨率 1.93 Å R-free 0.214
6EPJ The ATAD2 bromodomain in complex with compound 6 提交 2017-10-11	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 981–1108（128 aa）	未记录	BOH (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2.0 M ammonium sulfate 0.1 M Bis-tris pH 5.5	分辨率 1.65 Å R-free 0.212
6EPR The ATAD2 bromodomain in complex with compound UZH-DS15 提交 2017-10-12	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 981–1108（128 aa）	未记录	BQE (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5	分辨率 2.05 Å R-free 0.232
6EPS The ATAD2 bromodomain in complex with compound UZH-DQ41 提交 2017-10-12	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 981–1108（128 aa）	未记录	BQK (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5	分辨率 2.08 Å R-free 0.274
6EPT The ATAD2 bromodomain in complex with compound 12 提交 2017-10-12	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 981–1108（128 aa）	未记录	SO4 SULFATE ION × 1 G1E (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide × 1 BQQ (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5	分辨率 1.65 Å R-free 0.226
6EPU The ATAD2 bromodomain in complex with compound 2 提交 2017-10-12	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	SO4 SULFATE ION × 1 BQH (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.80 Å R-free 0.218
6EPV The ATAD2 bromodomain in complex with compound 5 提交 2017-10-12	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 981–1108（128 aa）	未记录	SO4 SULFATE ION × 1 BQT (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5	分辨率 1.79 Å R-free 0.217
6EPW The ATAD2 bromodomain in complex with compound UZH-DU32 提交 2017-10-12	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 981–1108（128 aa）	未记录	BQ8 (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5	分辨率 1.92 Å R-free 0.243
6EPX The ATAD2 bromodomain in complex with compound 3 提交 2017-10-12	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 981–1108（128 aa）	未记录	BQW (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5	分辨率 1.84 Å R-free 0.219
6HDN Crystal structure of human ATAD2 bromodomain in complex with 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one 提交 2018-08-18	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 981–1108（128 aa）	未记录	SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 2 FZB 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；277 K；1.2-1.5M ammonium sulphate and 20-25% PEG3350.	分辨率 1.90 Å R-free 0.230
6HDO Crystal structure of human ATAD2 bromodomain in complex with 8-(((1R,2R,3R,5S)-2-(2-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)quinolin-2(1H)-one 提交 2018-08-18	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 981–1108（128 aa）	未记录	EDO 1,2-ETHANEDIOL × 2 FZH 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；277 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350	分辨率 2.61 Å R-free 0.232
6HI3 The ATAD2 bromodomain in complex with compound 4 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	G7B 2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 2.40 Å R-free 0.337
6HI4 The ATAD2 bromodomain in complex with compound 7 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	G5W (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.69 Å R-free 0.221
6HI5 The ATAD2 bromodomain in complex with compound 8 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 G6E (2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.59 Å R-free 0.218
6HI6 The ATAD2 bromodomain in complex with compound 9 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 G5Z (2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.64 Å R-free 0.235
6HI7 The ATAD2 bromodomain in complex with compound 10 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 G6B (2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.74 Å R-free 0.215
6HI8 The ATAD2 bromodomain in complex with compound 11 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	SO4 SULFATE ION × 1 G6W 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.90 Å R-free 0.207
6HIA The ATAD2 bromodomain in complex with compound 13 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	G7N (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.90 Å R-free 0.232
6HIB The ATAD2 bromodomain in complex with compound 14 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	G6Z 1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 2.03 Å R-free 0.231
6HIC The ATAD2 bromodomain in complex with compound 15 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	G7H (2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.77 Å R-free 0.225
6HID The ATAD2 bromodomain in complex with compound 16 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	SO4 SULFATE ION × 1 G7E ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 1.77 Å R-free 0.243
6HIE The ATAD2 bromodomain in complex with compound 17 提交 2018-08-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 981–1108（128 aa）	未记录	G7Q (2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5	分辨率 2.05 Å R-free 0.239
6S55 Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-((3-methylpiperidin-1-yl)sulfonyl)phenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide 提交 2019-06-30	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 981–1108（128 aa）	未记录	EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 2 KW5 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；278 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350	分辨率 2.09 Å R-free 0.243
6S56 Crystal structure of human ATAD2 bromodomain in complex with N-(4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)-2-(2,5-dioxo-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalen]-1-yl)acetamide 提交 2019-06-30	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 981–1108（128 aa）	未记录	EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 2 KVZ 2-[(4~{R})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{H}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{N}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；278 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350	分辨率 2.01 Å R-free 0.276
6S57 Crystal structure of human ATAD2 bromodomain in complex withN-(3-(azepan-1-ylsulfonyl)-4-methylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide 提交 2019-06-30	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 981–1108（128 aa）	未记录	EDO 1,2-ETHANEDIOL × 1 KVT ~{N}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；278 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350	分辨率 1.82 Å R-free 0.200
6YB4 Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-(3-methylpyrrolidin-1-yl)sulfonyl)phenyl)-2-(-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide 提交 2020-03-15	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 AAA 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 OJH ~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate	分辨率 1.85 Å R-free 0.215
7M98 ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand 提交 2021-03-30	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 966–1112（147 aa）	突变：C1101A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；2.0 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, pH 6.6	分辨率 1.60 Å R-free 0.219
7PPX ATAD2 in complex with FragLite3 提交 2021-09-15	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 AAA 981–1108（128 aa）	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 7ZX 4-bromanyl-1,2-oxazole × 1 EDO 1,2-ETHANEDIOL × 12	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES pH 7.0, 2.4 AmSO4, ATAD2~5 mg mL-1.	分辨率 1.35 Å R-free 0.231
7PX5 ATAD2 in complex with 1-Methyl-2-quinolone 提交 2021-10-07	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 AAA 981–1108（128 aa）	未记录	12Q 1-METHYLQUINOLIN-2(1H)-ONE × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 2.18 Å R-free 0.246
7Q6T Crystal structure of the bromodomain of ATAD2 with AZ13824374 提交 2021-11-09	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 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 96L (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.25；293 K；ATAD2 (981-1108) at 12 mg/ml in 25 mM Tris pH 9.7, 300 mM NaCl, 0.5 mM TCEP crystallised from 20% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.25. Ligands were introduced by soaking, cryo-protection with 20 % glycerol.	分辨率 2.05 Å R-free 0.215
7Q6U Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) 提交 2021-11-09	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 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 3 963 (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.25；298 K；ATAD2 (981-1108) at 12 mg/ml in 25 mM Tris pH 9.7, 300 mM NaCl, 0.5 mM TCEP crystallised from 20% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.25. Ligands were introduced by soaking, cryo-protection with 20 % glycerol.	分辨率 1.95 Å R-free 0.199
7Q6V Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14) 提交 2021-11-09	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 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 3 95O (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.25；293 K；ATAD2 (981-1108) at 12 mg/ml in 25 mM Tris pH 9.7, 300 mM NaCl, 0.5 mM TCEP crystallised from 20% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.25. Ligands were introduced by soaking, cryo-protection with 20 % glycerol.	分辨率 1.96 Å R-free 0.206
7Q6W Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) 提交 2021-11-09	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 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 3 93L (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.25；293 K；ATAD2 (981-1108) at 12 mg/ml in 25 mM Tris pH 9.7, 300 mM NaCl, 0.5 mM TCEP crystallised from 20% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.25. Ligands were introduced by soaking, cryo-protection with 20 % glycerol.	分辨率 1.96 Å R-free 0.210
7QU7 ATAD2 in complex with FragLite16 提交 2022-01-17	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 HH8 4-bromanyl-1,8-naphthyridine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 2.13 Å R-free 0.281
7QUK ATAD2 in complex with FragLite1 提交 2022-01-18	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 BYZ 4-bromo-1H-pyrazole × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.47 Å R-free 0.230
7QUM ATAD2 in complex with FragLite2 提交 2022-01-18	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 6 PYZ 4-IODOPYRAZOLE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.50 Å R-free 0.223
7QWO ATAD2 in complex with FragLite6 提交 2022-01-25	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 HGQ 4-bromanyl-1~{H}-pyridin-2-one × 2 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.50 Å R-free 0.273
7QX1 ATAD2 in complex with FragLite7 提交 2022-01-26	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 HHQ 4-iodanyl-3~{H}-pyridin-2-one × 2 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.49 Å R-free 0.242
7QXT ATAD2 in complex with FragLite10 提交 2022-01-27	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 1P8 6-bromo-1,3-dihydro-2H-indol-2-one × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.51 Å R-free 0.256
7QYK ATAD2 in complex with FragLite18 提交 2022-01-28	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 8 IJF (4-bromanylpyridin-2-yl)methanol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.43 Å R-free 0.212
7QYL ATAD2 in complex with FragLite23 提交 2022-01-28	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 UU1 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol × 2 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.44 Å R-free 0.244
7QZM ATAD2 in complex with FragLite28 提交 2022-01-31	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 8 UUS 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.45 Å R-free 0.242
7QZY ATAD2 in complex with FragLite29 提交 2022-02-01	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 7 V3U 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.93 Å R-free 0.245
7QZZ ATAD2 in complex with FragLite31 提交 2022-02-01	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 2 HHT 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 2.52 Å R-free 0.240
7R00 ATAD2 in complex with FragLite33 提交 2022-02-01	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 HWC 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one × 1 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.48 Å R-free 0.237
7R05 ATAD2 in complex with PepLite-Ile 提交 2022-02-01	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 2 HQX (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.53 Å R-free 0.216
7R0Y ATAD2 in complex with PepLite-Glu 提交 2022-02-02	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 HNU (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.43 Å R-free 0.213
7Z9H ATAD2 in complex with PepLite-Asp 提交 2022-03-21	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 IIV (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.34 Å R-free 0.227
7Z9I ATAD2 in complex with PepLite-Ala 提交 2022-03-21	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 2 IJR (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.50 Å R-free 0.219
7Z9J ATAD2 in complex with PepLite-Gly 提交 2022-03-21	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 IIY (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide × 1 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.90 Å R-free 0.221
7Z9N ATAD2 in complex with PepLite-Val 提交 2022-03-21	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 IJ3 (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.34 Å R-free 0.227
7Z9O ATAD2 in complex with PepLite-Tyr 提交 2022-03-21	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 IK3 (2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.47 Å R-free 0.218
7Z9S ATAD2 in complex with PepLite-Arg 提交 2022-03-21	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 IJI (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide × 1 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.50 Å R-free 0.236
7Z9U ATAD2 in complex with Acetyl-Lys 提交 2022-03-21	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 AAA 981–1108（128 aa）片段：bromodomain	未记录	ARG ARGININE × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 5 8WS (2S)-2,6-diacetamido-N-methyl-hexanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate	分辨率 1.76 Å R-free 0.227
8H3H Human ATAD2 Walker B mutant, ATP state 提交 2022-10-08	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 403–983（581 aa）链 A 1118–1297（180 aa）链 A 1321–1390（70 aa）链 B 403–983（581 aa）链 B 1118–1297（180 aa）链 B 1321–1390（70 aa）链 C 403–983（581 aa）链 C 1118–1297（180 aa）链 C 1321–1390（70 aa）链 D 403–983（581 aa）链 D 1118–1297（180 aa）链 D 1321–1390（70 aa）链 E 403–983（581 aa）链 E 1118–1297（180 aa）链 E 1321–1390（70 aa）链 F 403–983（581 aa）链 F 1118–1297（180 aa）链 F 1321–1390（70 aa）	突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q	ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 5	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.15 Å
8JUW Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state 提交 2023-06-27	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 403–983（581 aa）链 A 1118–1297（180 aa）链 A 1321–1390（70 aa）链 B 403–983（581 aa）链 B 1118–1297（180 aa）链 B 1321–1390（70 aa）链 C 403–983（581 aa）链 C 1118–1297（180 aa）链 C 1321–1390（70 aa）链 D 403–983（581 aa）链 D 1118–1297（180 aa）链 D 1321–1390（70 aa）链 E 403–983（581 aa）链 E 1118–1297（180 aa）链 E 1321–1390（70 aa）链 F 403–983（581 aa）链 F 1118–1297（180 aa）链 F 1321–1390（70 aa）	突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q	ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 5	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.79 Å
8JUY Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state (Class II) 提交 2023-06-27	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 403–983（581 aa）链 A 1118–1297（180 aa）链 A 1321–1390（70 aa）链 B 403–983（581 aa）链 B 1118–1297（180 aa）链 B 1321–1390（70 aa）链 C 403–983（581 aa）链 C 1118–1297（180 aa）链 C 1321–1390（70 aa）链 D 403–983（581 aa）链 D 1118–1297（180 aa）链 D 1321–1390（70 aa）链 E 403–983（581 aa）链 E 1118–1297（180 aa）链 E 1321–1390（70 aa）链 F 403–983（581 aa）链 F 1118–1297（180 aa）链 F 1321–1390（70 aa）	突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q	ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 5	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 4.34 Å
8JUZ Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state (Class III) 提交 2023-06-27	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 403–983（581 aa）链 A 1118–1297（180 aa）链 A 1321–1390（70 aa）链 B 403–983（581 aa）链 B 1118–1297（180 aa）链 B 1321–1390（70 aa）链 C 403–983（581 aa）链 C 1118–1297（180 aa）链 C 1321–1390（70 aa）链 D 403–983（581 aa）链 D 1118–1297（180 aa）链 D 1321–1390（70 aa）链 E 403–983（581 aa）链 E 1118–1297（180 aa）链 E 1321–1390（70 aa）链 F 403–983（581 aa）链 F 1118–1297（180 aa）链 F 1321–1390（70 aa）	突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q 突变：E532Q	ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 5	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 4.29 Å
8RU5 ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E 提交 2024-01-30	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 981–1108（128 aa）	未记录	EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG6000 10% ethylene glycol 0.1M tris pH 7.5 0.1M calcium chloride	分辨率 1.36 Å R-free 0.221
8SDO ATAD2 bromodomain in complex with "oncohistone" mutation H4S1CK5ac (res 1-15) ligand 提交 2023-04-07	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 966–1112（147 aa）	突变：C1101A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；2.4 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, pH 6.4	分辨率 2.01 Å R-free 0.231
8SDQ ATAD2 bromodomain in complex with H4S1phK5ac (res 1-15) ligand 提交 2023-04-07	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 966–1112（147 aa）	突变：C1101A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；60% v/v TascimateTM pH 7.0	分辨率 1.85 Å R-free 0.238

共 116 个其他 PDB 条目、124 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	ATAD2_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 3–130； UniProt 981–1108

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	5f36
沉积日期 deposition_date	2015-12-02
结构标题 title	Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12
关键词 keywords	HYDROLASE INHIBITOR Complex, TRANSFERASE; TRANSFERASE
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	17.67 Å
回转半径 Rg (电子) rg_electron	16.38 Å
零角强度 I(0) i0	5058300.00
分子量 molecular_weight	15648.0 kDa
排除体积 excluded_volume	19350 Å³
包络体积 envelope_volume	22655 Å³
水化壳体积 shell_volume	12466 Å³
包络直径 envelope_diameter	63.4 Å
壳层 Rg shell_rg	21.18 Å
包络 Rg envelope_rg	16.71 Å
形状 Rg shape_rg	16.36 Å
总 Rg total_rg	17.32 Å
总原子数 total_atoms	1097
残基数 n_residues	130
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	62.3 Å
Rg (实空间) rg_real	17.73 Å
Rg 误差 (实空间) rg_real_error	0.50 Å
I(0) (实空间) i0_real	5.0580e+06
I(0) 误差 (实空间) i0_real_error	6.6020e+04
Rg (倒空间) rg_reciprocal	17.72 Å
I(0) (倒空间) i0_reciprocal	5058000.0000
解质量估计 total_estimate	0.7589
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	18.3 Å
偏度 Skewness skewness	0.446
峰度 Kurtosis kurtosis	-0.212
角度范围 angular_range	— – 0.4500 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	846400.0000
实空间数据点数 n_real_points	76
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.667; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.865; Smooth: 0.000

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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 (5)

实体 1 Entity 1 polymer

描述 description	ATPase family AAA domain-containing protein 2
分子量 formula_weight	15453.5 kDa
EC 编号 ec_number	3.6.1.3
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	1208

SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR

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	[(2~{R})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium
分子量 formula_weight	214.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 4 Entity 4 non-polymer

描述 description	CHLORIDE ION
分子量 formula_weight	35.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 5 Entity 5 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	101

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7. 折叠分类 (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

结构域编号 domain_id	5f36A00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	920 — Histone Acetyltransferase; Chain A
同源超家族 H-superfamily homologous superfamily	10 — Bromodomain-like

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8. 引用文献 (1)

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晶胞边长 a length_a	79.804 Å
晶胞边长 b length_b	79.804 Å
晶胞边长 c length_c	137.220 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	120.00 °
晶胞分子数 Z z_pdb	12

空间群 space_group	P 65 2 2
空间群编号 int_tables_number	179
晶系 crystal_system	—

分辨率 resolution	1.500 Å
最低分辨率 resolution_low	48.691 Å
R 因子 r_factor	0.1700
R_work r_work	0.1690
R_free r_free	0.1895

fit	/app/data/saxs_computation/f3/5f36/5f36.fit
pddf	/app/data/pr_computation/f3/5f36/5f36.pr.out
profile	/app/data/saxs_computation/f3/5f36/5f36.dat