当前蛋白身份：P04637
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差异标签只比较当前检索结果；所有PDB和assembly原始记录仍分别保留。
相关结构差异明细
一行代表一个 PDB 条目中的一个 biological assembly；同一蛋白的多个单体会分别列出。
| PDB 条目 | Assembly / 聚集状态 | 构建体 | 突变与修饰 | 配体、离子与非聚合物 | 实验方法 | 实验环境 | 结构质量 |
|---|---|---|---|---|---|---|---|
| 1A1U SOLUTION STRUCTURE DETERMINATION OF A P53 MUTANT DIMERIZATION DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE 提交 1997-12-16 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
324–358（35 aa）
片段：OLIGOMERIZATION
链 C
324–358（35 aa）
片段：OLIGOMERIZATION
|
突变：M40K, F41I, L44Y 突变：M40K, F41I, L44Y | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7；313 K
|
分辨率未提供 |
| 1AIE P53 TETRAMERIZATION DOMAIN CRYSTAL STRUCTURE 提交 1997-04-17 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8；1.4 M SODIUM CITRATE, 100 MM HEPES, PH 8.0
|
分辨率 1.50 Å R-free 0.252 |
| 1C26 CRYSTAL STRUCTURE OF P53 TETRAMERIZATION DOMAIN 提交 1999-07-22 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
325–356（32 aa）
片段：TETRAMERIZATION DOMAIN
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.8；298 K；3.0 M SODIUM FORMATE 0.5 M AMMONIUM SULFATE 50 MM TRIS-HCL PH 8.8, VAPOR DIFFUSION, HANGING DROP at 298 K
|
分辨率 1.70 Å |
| 1DT7 SOLUTION STRUCTURE OF THE C-TERMINAL NEGATIVE REGULATORY DOMAIN OF P53 IN A COMPLEX WITH CA2+-BOUND S100B(BB) 提交 2000-01-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 X
367–388（22 aa）
片段：C-TERMINAL PEPTIDE
链 Y
367–388（22 aa）
片段：C-TERMINAL PEPTIDE
|
未记录 | CA CALCIUM ION × 4 | SOLUTION NMR |
NMR测量条件
pH 6.5；310 K；离子强度（mmCIF原始值）25 mM；压力 ambient
NMR样品组成
3-6 mM S100 (subunit concentration), 0.1 mM EDTA, 0.34 mM NaN3, 5 mM DTT, 17 mM NaCl, 10 mM d11-tris-HCl, 7% D2O, 6-13 mM CaCl2, 4.8-10 mM p53 peptide | 7% D2O, 93% H2O
|
分辨率未提供 |
| 1GZH Crystal structure of the BRCT domains of human 53BP1 bound to the p53 tumor supressor 提交 2002-05-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
95–292（198 aa）
片段：DNA BINDING REGION, RESIDUES 95-292
|
未记录 | ZN ZINC ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.4；50 MM TRIS PH 7.4, 250 MM AMMONIUM SULFATE, 25% POLYETHYLENE GLYCOL 4000
|
分辨率 2.60 Å R-free 0.288 |
| 1GZH Crystal structure of the BRCT domains of human 53BP1 bound to the p53 tumor supressor 提交 2002-05-22 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 C
95–292（198 aa）
片段：DNA BINDING REGION, RESIDUES 95-292
|
未记录 | ZN ZINC ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.4；50 MM TRIS PH 7.4, 250 MM AMMONIUM SULFATE, 25% POLYETHYLENE GLYCOL 4000
|
分辨率 2.60 Å R-free 0.288 |
| 1H26 CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53 提交 2002-07-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 E
376–386（11 aa）
片段：RESIDUES 376-386
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7；0.8M KCL, 1.2M (NH4)2SO4, 40MM HEPES PH 7.0. PROTEIN CONCENTRATION = 10MG/ML
|
分辨率 2.24 Å R-free 0.268 |
| 1HS5 NMR SOLUTION STRUCTURE OF DESIGNED P53 DIMER 提交 2000-12-22 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
324–357（34 aa）
片段：RESIDUES 324-357
链 B
324–357（34 aa）
片段：RESIDUES 324-357
|
突变：M340Q, L344R 突变：M340Q, L344R | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7；300 K；离子强度（mmCIF原始值）25mM；压力 ambient
NMR样品组成
2mM U-15N,13C; 25mM sodium phosphate; 150mM sodium chloride | 90% H2O/10% D2O
|
分辨率未提供 |
| 1JSP NMR Structure of CBP Bromodomain in complex with p53 peptide 提交 2001-08-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
367–386（20 aa）
片段：C-terminal fragment
|
非标准单体：是（mmCIF未提供具体位点） | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.5；298 K；压力 ambient
NMR测量条件
pH 6.5；298 K；压力 ambient
NMR测量条件
pH 6.5；298 K；压力 ambient
NMR测量条件
pH 6.5；298 K；压力 ambient
NMR样品组成
0.5mM CBP bromodomain U-15N; 0.5mM P53 peptide; 100mM phosphate buffer; pH 6.5 | 90% H2O/10% D2O
NMR样品组成
0.5mM CBP bromodomain U-15N,13C; 0.5mM P53 peptide;100mM phosphate buffer; pH 6.5 | 90% H2O/10% D2O
NMR样品组成
0.5mM CBP bromodomain U-15N,13C; 0.5mM P53 peptide;100mM phosphate buffer; pH 6.5 | 99.9%D2O
NMR样品组成
0.5mM CBP bromodomain U-15N,13C,75% 2H; 0.5mM P53 peptide;100mM phosphate buffer; pH 6.5 | 90% H2O/10% D2O
|
分辨率未提供 |
| 1KZY Crystal Structure of the 53bp1 BRCT Region Complexed to Tumor Suppressor P53 提交 2002-02-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
95–289（195 aa）
片段：DNA-BINDING CORE DOMAIN
链 B
95–289（195 aa）
片段：DNA-BINDING CORE DOMAIN
|
未记录 | ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；PEG4000, sodium citrate, ammonium acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.50 Å R-free 0.256 |
| 1MA3 Structure of a Sir2 enzyme bound to an acetylated p53 peptide 提交 2002-07-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
372–389（18 aa）
片段：Regulatory C-terminal tail (residues 372-389)
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；PEG 8000, PEG 1000 and Sodium Chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.00 Å R-free 0.254 |
| 1OLG HIGH-RESOLUTION SOLUTION STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR 提交 1994-06-13 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
319–360（42 aa）
链 B
319–360（42 aa）
链 C
319–360（42 aa）
链 D
319–360（42 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR | mmCIF 未提供已读取条件 | 分辨率未提供 |
| 1OLH HIGH-RESOLUTION SOLUTION STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR 提交 1994-06-13 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
319–360（42 aa）
链 B
319–360（42 aa）
链 C
319–360（42 aa）
链 D
319–360（42 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR | mmCIF 未提供已读取条件 | 分辨率未提供 |
| 1PES NMR SOLUTION STRUCTURE OF THE TETRAMERIC MINIMUM TRANSFORMING DOMAIN OF P53 提交 1994-11-24 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
325–355（31 aa）
链 B
325–355（31 aa）
链 C
325–355（31 aa）
链 D
325–355（31 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR | mmCIF 未提供已读取条件 | 分辨率未提供 |
| 1PET NMR SOLUTION STRUCTURE OF THE TETRAMERIC MINIMUM TRANSFORMING DOMAIN OF P53 提交 1994-11-24 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
325–355（31 aa）
链 B
325–355（31 aa）
链 C
325–355（31 aa）
链 D
325–355（31 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR | mmCIF 未提供已读取条件 | 分辨率未提供 |
| 1SAE HIGH RESOLUTION SOLUTION NMR STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR (SAC STRUCTURES) 提交 1995-03-12 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
319–360（42 aa）
链 B
319–360（42 aa）
链 C
319–360（42 aa）
链 D
319–360（42 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR | mmCIF 未提供已读取条件 | 分辨率未提供 |
| 1SAF HIGH RESOLUTION SOLUTION NMR STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR (SAD STRUCTURES) 提交 1995-03-12 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
319–360（42 aa）
链 B
319–360（42 aa）
链 C
319–360（42 aa）
链 D
319–360（42 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR | mmCIF 未提供已读取条件 | 分辨率未提供 |
| 1SAK HIGH RESOLUTION SOLUTION NMR STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR (SAC STRUCTURES) 提交 1995-03-12 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
319–360（42 aa）
链 B
319–360（42 aa）
链 C
319–360（42 aa）
链 D
319–360（42 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR | mmCIF 未提供已读取条件 | 分辨率未提供 |
| 1SAL HIGH RESOLUTION SOLUTION NMR STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR (SAD STRUCTURES) 提交 1995-03-12 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
319–360（42 aa）
链 B
319–360（42 aa）
链 C
319–360（42 aa）
链 D
319–360（42 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR | mmCIF 未提供已读取条件 | 分辨率未提供 |
| 1TSR P53 CORE DOMAIN IN COMPLEX WITH DNA 提交 1995-07-28 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 3 PDB 声明：pentameric（5） 与全部聚合物一致 |
链 A
94–312（219 aa）
链 B
94–312（219 aa）
链 C
94–312（219 aa）
|
未记录 | ZN ZINC ION × 3 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å |
| 1TUP TUMOR SUPPRESSOR P53 COMPLEXED WITH DNA 提交 1995-07-11 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 3 PDB 声明：pentameric（5） 与全部聚合物一致 |
链 A
94–312（219 aa）
链 B
94–312（219 aa）
链 C
94–312（219 aa）
|
未记录 | ZN ZINC ION × 3 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å |
| 1UOL Crystal structure of the human p53 core domain mutant M133L/V203A/N239Y/N268D at 1.9 A resolution. 提交 2003-09-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA BINDING (CORE) DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.2；pH 7.20
|
分辨率 1.90 Å R-free 0.230 |
| 1UOL Crystal structure of the human p53 core domain mutant M133L/V203A/N239Y/N268D at 1.9 A resolution. 提交 2003-09-19 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA BINDING (CORE) DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.2；pH 7.20
|
分辨率 1.90 Å R-free 0.230 |
| 1XQH Crystal structure of a ternary complex of the methyltransferase SET9 (also known as SET7/9) with a P53 peptide and SAH 提交 2004-10-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
369–377（9 aa）
片段：mono-methylated p53 peptide
|
非标准单体：是（mmCIF未提供具体位点） | SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.8；291 K；PEG3350, Tris-HCL, pH 7.8, VAPOR DIFFUSION, temperature 291K
|
分辨率 1.75 Å R-free 0.223 |
| 1XQH Crystal structure of a ternary complex of the methyltransferase SET9 (also known as SET7/9) with a P53 peptide and SAH 提交 2004-10-12 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 F
369–377（9 aa）
片段：mono-methylated p53 peptide
|
非标准单体：是（mmCIF未提供具体位点） | SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.8；291 K；PEG3350, Tris-HCL, pH 7.8, VAPOR DIFFUSION, temperature 291K
|
分辨率 1.75 Å R-free 0.223 |
| 1YCQ XENOPUS LAEVIS MDM2 BOUND TO THE TRANSACTIVATION DOMAIN OF HUMAN P53 提交 1996-09-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
13–29（17 aa）
片段：RESIDUES 13 - 29
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.30 Å R-free 0.253 |
| 1YCR MDM2 BOUND TO THE TRANSACTIVATION DOMAIN OF P53 提交 1996-09-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
15–29（15 aa）
片段：RESIDUES 15 - 29
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.60 Å R-free 0.276 |
| 1YCS P53-53BP2 COMPLEX 提交 1996-09-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–292（199 aa）
片段：RESIDUES 97 - 287
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 2.20 Å R-free 0.286 |
| 2AC0 Structural Basis of DNA Recognition by p53 Tetramers (complex I) 提交 2005-07-18 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：octameric（8） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：residues 94-293
链 B
94–293（200 aa）
片段：residues 94-293
链 C
94–293（200 aa）
片段：residues 94-293
链 D
94–293（200 aa）
片段：residues 94-293
|
未记录 | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.6；293 K；Ammonium Formate, PEG 3350, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.217 |
| 2ADY Structural Basis of DNA Recognition by p53 Tetramers (complex IV) 提交 2005-07-21 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：octameric（8） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：residues 94-293
链 B
94–293（200 aa）
片段：residues 94-293
|
未记录 | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；Ammonium Fluoride, PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.50 Å R-free 0.251 |
| 2AHI Structural Basis of DNA Recognition by p53 Tetramers (complex III) 提交 2005-07-28 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：octameric（8） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：residues 94-293
链 B
94–293（200 aa）
片段：residues 94-293
链 C
94–293（200 aa）
片段：residues 94-293
链 D
94–293（200 aa）
片段：residues 94-293
|
未记录 | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；Ammonium Chloride, PEG 3350, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.85 Å R-free 0.225 |
| 2ATA Structural Basis of DNA Recognition by p53 Tetramers (complex II) 提交 2005-08-24 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：octameric（8） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：residues 94-293
链 B
94–293（200 aa）
片段：residues 94-293
链 C
94–293（200 aa）
片段：residues 94-293
链 D
94–293（200 aa）
片段：residues 94-293
|
未记录 | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；Lithium Chloride, PEG 3350, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.20 Å R-free 0.215 |
| 2B3G p53N (fragment 33-60) bound to RPA70N 提交 2005-09-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 B
33–60（28 aa）
片段：residues 33-60
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.9；298 K；Na3 Citrate, Hepes, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.90
|
分辨率 1.60 Å R-free 0.239 |
| 2BIM human p53 core domain mutant M133L-V203A-N239Y-N268D-R273H 提交 2005-01-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING (CORE) DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.98 Å R-free 0.223 |
| 2BIM human p53 core domain mutant M133L-V203A-N239Y-N268D-R273H 提交 2005-01-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING (CORE) DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.98 Å R-free 0.223 |
| 2BIN human p53 core domain mutant M133L-H168R-V203A-N239Y-N268D 提交 2005-01-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING (CORE) DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å R-free 0.236 |
| 2BIO human p53 core domain mutant M133L-V203A-N239Y-R249S-N268D 提交 2005-01-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING (CORE) DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.90 Å R-free 0.234 |
| 2BIP human p53 core domain mutant M133L-H168R-V203A-N239Y-R249S-N268D 提交 2005-01-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING (CORE) DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å R-free 0.235 |
| 2BIQ human p53 core domain mutant T123A-M133L-H168R-V203A-N239Y-R249S- N268D 提交 2005-01-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING (CORE) DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å R-free 0.255 |
| 2F1X Crystal structure of the TRAF-like domain of HAUSP/USP7 bound to a p53 peptide 提交 2005-11-15 | Assembly 1 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
360–368（9 aa）
片段：p53 peptide fusion with HAUSP N terminal
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG2000 monomethylether, calcium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.30 Å R-free 0.263 |
| 2F1X Crystal structure of the TRAF-like domain of HAUSP/USP7 bound to a p53 peptide 提交 2005-11-15 | Assembly 2 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
360–368（9 aa）
片段：p53 peptide fusion with HAUSP N terminal
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG2000 monomethylether, calcium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.30 Å R-free 0.263 |
| 2GS0 NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and the activation domain of p53 提交 2006-04-25 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
20–73（54 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.5；300 K；离子强度（mmCIF原始值）20 mM sodium phosphate；压力 ambient
NMR样品组成
1.0 mM Tfb1 U-15N,
1.0 mM p53 unlabeled,
1.00 mM EDTA,
20 mM phosphate buffer;
90% H2O, 10% D2O | 90% H2O/10% D2O
NMR样品组成
1.0 mM Tfb1 U-15N,13C,
1.0 mM p53 unlabeled,
1.00 mM EDTA,
20 mM phosphate buffer;
100% D20 | 100% D20
NMR样品组成
1.0 mM p53 U-15N,
1.0 mM Tfb1 unlabeled,
1.00 mM EDTA,
20 mM phosphate buffer;
90% H2O, 10% D2O | 90% H2O/10% D2O
NMR样品组成
1.0 mM p53 U-15N,
1.0 mM Tfb1 unlabeled,
1.00 mM EDTA,
20 mM phosphate buffer;
100% D20 | 100% D20
|
分辨率未提供 |
| 2H2D The Structural Basis for Sirtuin Substrate Affinity 提交 2006-05-18 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
372–389（18 aa）
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 9.6；298 K；20% PEG 3350, 0.1 M CHES pH 9.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 9.60
|
分辨率 1.70 Å R-free 0.237 |
| 2H2F The Structural basis for Sirtuin Substrate affinity 提交 2006-05-18 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
372–389（18 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 9.6；298 K；20% PEG, pH 9.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 9.60
|
分辨率 2.20 Å R-free 0.246 |
| 2H4J Sir2-deacetylated peptide (from enzymatic turnover in crystal) 提交 2006-05-24 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 D
372–389（18 aa）
|
未记录 | ZN ZINC ION × 1 NCA NICOTINAMIDE × 1 OAD 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 9.6；293 K；CHES, PEG3350, PH9.6, acetylated peptide. Crystals were soaked in cryo + 5mM NAD, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.10 Å R-free 0.246 |
| 2J0Z p53 tetramerization domain wild type 提交 2006-08-08 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
链 B
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
链 C
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
链 D
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7.2；300 K；压力 1.0
NMR样品组成
5% D2O/95% WATER
|
分辨率未提供 |
| 2J10 p53 tetramerization domain mutant T329F Q331K 提交 2006-08-08 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
链 B
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
链 C
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
链 D
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
|
突变：YES 突变：YES 突变：YES 突变：YES | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7.2；300 K；压力 1.0
NMR样品组成
5% D2O/95% WATER
|
分辨率未提供 |
| 2J11 p53 tetramerization domain mutant Y327S T329G Q331G 提交 2006-08-08 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
链 B
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
链 C
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
链 D
326–356（31 aa）
片段：TETRAMERIZATION DOMAIN, RESIDUES 326-356
|
突变：YES 突变：YES 突变：YES 突变：YES | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7.2；300 K；压力 1.0
NMR样品组成
5% D2O/95% WATER
|
分辨率未提供 |
| 2J1W Human p53 core domain mutant M133L-V143A-V203A-N239Y-N268D 提交 2006-08-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å R-free 0.206 |
| 2J1W Human p53 core domain mutant M133L-V143A-V203A-N239Y-N268D 提交 2006-08-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å R-free 0.206 |
| 2J1X Human p53 core domain mutant M133L-V203A-Y220C-N239Y-N268D 提交 2006-08-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.65 Å R-free 0.206 |
| 2J1X Human p53 core domain mutant M133L-V203A-Y220C-N239Y-N268D 提交 2006-08-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.65 Å R-free 0.206 |
| 2J1Y Human p53 core domain mutant M133L-V203A-N239Y-G245S-N268D 提交 2006-08-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-293
|
突变：YES | ZN ZINC ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.69 Å R-free 0.218 |
| 2J1Y Human p53 core domain mutant M133L-V203A-N239Y-G245S-N268D 提交 2006-08-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-293
|
突变：YES | ZN ZINC ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.69 Å R-free 0.218 |
| 2J1Y Human p53 core domain mutant M133L-V203A-N239Y-G245S-N268D 提交 2006-08-15 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–293（200 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-293
|
突变：YES | ZN ZINC ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.69 Å R-free 0.218 |
| 2J1Y Human p53 core domain mutant M133L-V203A-N239Y-G245S-N268D 提交 2006-08-15 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–293（200 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-293
|
突变：YES | ZN ZINC ION × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.69 Å R-free 0.218 |
| 2J1Z Human p53 core domain mutant M133L-V203A-N239Y-N268D-F270L 提交 2006-08-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å R-free 0.213 |
| 2J1Z Human p53 core domain mutant M133L-V203A-N239Y-N268D-F270L 提交 2006-08-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å R-free 0.213 |
| 2J20 Human p53 core domain mutant M133L-V203A-N239Y-N268D-R273C 提交 2006-08-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å R-free 0.206 |
| 2J20 Human p53 core domain mutant M133L-V203A-N239Y-N268D-R273C 提交 2006-08-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.80 Å R-free 0.206 |
| 2J21 Human p53 core domain mutant M133L-V203A-N239Y-N268D-R282W 提交 2006-08-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.60 Å R-free 0.224 |
| 2J21 Human p53 core domain mutant M133L-V203A-N239Y-N268D-R282W 提交 2006-08-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING CORE DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.60 Å R-free 0.224 |
| 2K8F Structural Basis for the Regulation of p53 Function by p300 提交 2008-09-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
1–39（39 aa）
片段：UNP residues 1-39
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.3；308 K；离子强度（mmCIF原始值）200；压力 ambient
NMR样品组成
1.1 mM TAZ2, 1.0 mM [U-100% 15N] TAD(1-39), 1.0 mM [U-100% 13C; U-100% 15N] TAD(1-39), 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1.0 mM [U-100% 15N] TAZ2, 1.1 mM TAD(1-39), 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1.0 mM [U-100% 13C; U-100% 15N] TAZ2, 1.1 mM TAD(1-39), 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1.0 mM TAZ2, 1.1 mM TAD(1-39), 100% D2O | 100% D2O
|
分辨率未提供 |
| 2L14 Structure of CBP nuclear coactivator binding domain in complex with p53 TAD 提交 2010-07-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
13–61（49 aa）
片段：p53 TAD
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.5；298 K；离子强度（mmCIF原始值）0.05；压力 ambient
NMR样品组成
0.5 mM [U-99% 15N] CBP nuclear coactivator binding domain, 0.5 mM [U-99% 15N] p53 TAD, 0.5 mM [U-99% 13C; U-99% 15N] CBP nuclear coactivator binding domain, 0.5 mM [U-99% 13C; U-99% 15N] p53 TAD, 90% H2O/10% D2O | 90% H2O/10% D2O
|
分辨率未提供 |
| 2LY4 HMGB1-facilitated p53 DNA binding occurs via HMG-box/p53 transactivation domain interaction and is regulated by the acidic tail 提交 2012-09-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
1–93（93 aa）
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7；298 K；离子强度（mmCIF原始值）0.01；压力 ambient
NMR样品组成
10 mM sodium phosphate, 1 mM EDTA, 1 mM DTT, 0.5 mM PMSF, 90% H2O/10% D2O | 90% H2O/10% D2O
|
分辨率未提供 |
| 2MEJ Solution Structure of the Complex Between BCL-xL and the p53 Core Domain determined with PRE restraints 提交 2013-09-25 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
96–312（217 aa）
片段：UNP residues 96-312
|
未记录 | ZN ZINC ION × 1 | SOLUTION NMR |
NMR测量条件
pH 7；298 K；离子强度（mmCIF原始值）0.05；压力 ambient
NMR样品组成
0.6 mM [U-98% 13C; U-98% 15N; U-98% 2H] p53, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR样品组成
0.1 mM [U-98% 15N; U-98% 2H] BCL-xL, 0.1 mM p53, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR样品组成
0.6 mM [U-98% 13C; U-98% 15N; U-98% 2H] p53, 0.65 mM BCL-xL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR样品组成
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR样品组成
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR样品组成
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151S_S122C MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR样品组成
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151S_S122C MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR样品组成
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151S_S2C MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR样品组成
0.1 mM [U-98% 15N; U-98% 2H] p53, 0.1 mM BCL-xL_C151S_S2C MTSL, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR样品组成
0.1 mM [U-98% 15N; U-98% 2H] BCL-xL, 0.1 mM Co_p53, 93% H2O/7% D2O | 93% H2O/7% D2O
|
分辨率未提供 |
| 2MWO Solution structure of 53BP1 tandem Tudor domains in complex with a p53K370me2 peptide 提交 2014-11-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
363–377（15 aa）
片段：DNA-binding repression region residues 363-377
|
非标准单体：是（mmCIF未提供具体位点） | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7.5；298 K；离子强度（mmCIF原始值）25；压力 ambient
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM [U-100% 13C; U-100% 15N] 53BP1-Tudor, 6.0 mM p53K370me2, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM [U-100% 13C; U-100% 15N] 53BP1-Tudor, 6.0 mM p53K370me2, 100% D2O | 100% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 5.0 mM 53BP1-Tudor, 2.0 mM [U-100% 13C; U-100% 15N] p53Kc370me2, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 5.0 mM 53BP1-Tudor, 2.0 mM [U-100% 13C; U-100% 15N] p53Kc370me2, 100% D2O | 100% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM [U-100% 15N] 53BP1-Tudor, 6.0 mM p53K370me2, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
35 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM p53K370me2, 100% D2O | 100% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM [U-100% 13C; U-100% 15N] p53Kc370me2, 100% D2O | 100% D2O
|
分辨率未提供 |
| 2MWP Solution structure of 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide 提交 2014-11-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
376–387（12 aa）
片段：DNA-binding repression region residues 376-387
|
非标准单体：是（mmCIF未提供具体位点） | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7.5；298 K；离子强度（mmCIF原始值）25；压力 ambient
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM [U-100% 13C; U-100% 15N] 53BP1-Tudor, 6.0 mM p53K382me2, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM [U-100% 13C; U-100% 15N] 53BP1-Tudor, 6.0 mM p53K382me2, 100% D2O | 100% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM 53BP1-Tudor, 0.5 mM [U-100% 13C; U-100% 15N] p53Kc382me2, 100% D2O | 100% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM [U-100% 15N] 53BP1-Tudor, 6.0 mM p53K382me2, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 2.0 mM p53K382me2, 100% D2O | 100% D2O
NMR样品组成
25 mM sodium phosphate, 1.5 mM sodium azide, 0.5 mM [U-100% 13C; U-100% 15N] p53Kc382me2, 100% D2O | 100% D2O
|
分辨率未提供 |
| 2MWY Mdmx-p53 提交 2014-12-03 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
15–29（15 aa）
片段：residues 15-23
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7；298 K；离子强度（mmCIF原始值）200；压力 ambient
NMR样品组成
1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2, 90% H2O/10% D2O | 90% H2O/10% D2O
|
分辨率未提供 |
| 2MZD Characterization of the p300 Taz2-p53 TAD2 Complex and Comparison with the p300 Taz2-p53 TAD1 Complex 提交 2015-02-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
35–59（25 aa）
片段：UNP residues 35-59
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.3；308 K；离子强度（mmCIF原始值）200；压力 ambient
NMR样品组成
1.1 mM Taz2 domain of Histone Acetyltransferase p300, 1.0 mM [U-100% 13C; U-100% 15N] TAD2 sub-domain of Cellular Tumor Antigen p53, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1.0 mM [U-100% 15N] Taz2 domain of Histone Acetyltransferase p300, 1.1 mM TAD2 sub-domain of Cellular Tumor Antigen p53, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1.0 mM [U-100% 13C; U-100% 15N] Taz2 domain of Histone Acetyltransferase p300, 1.1 mM TAD2 sub-domain of Cellular Tumor Antigen p53, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1.0 mM Taz2 domain of Histone Acetyltransferase p300, 1.1 mM TAD2 sub-domain of Cellular Tumor Antigen p53, 100% D2O | 100% D2O
|
分辨率未提供 |
| 2OCJ Human p53 core domain in the absence of DNA 提交 2006-12-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：core domain (residues 94-312)
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.6；293 K；2 ul protein solution (5 mg/ml protein in 20 mM Tris, pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 ul reservoir buffer consisting of 100 mM Hepes, pH 7.6, 10 mM DTT, and 14-21% (w/v) polyethylene glycol (PEG) 4000 above 500 ul reservoir buffer. Colorless plate-shaped crystals were obtained within a few days. VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.05 Å R-free 0.246 |
| 2OCJ Human p53 core domain in the absence of DNA 提交 2006-12-20 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：core domain (residues 94-312)
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.6；293 K；2 ul protein solution (5 mg/ml protein in 20 mM Tris, pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 ul reservoir buffer consisting of 100 mM Hepes, pH 7.6, 10 mM DTT, and 14-21% (w/v) polyethylene glycol (PEG) 4000 above 500 ul reservoir buffer. Colorless plate-shaped crystals were obtained within a few days. VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.05 Å R-free 0.246 |
| 2OCJ Human p53 core domain in the absence of DNA 提交 2006-12-20 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–312（219 aa）
片段：core domain (residues 94-312)
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.6；293 K；2 ul protein solution (5 mg/ml protein in 20 mM Tris, pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 ul reservoir buffer consisting of 100 mM Hepes, pH 7.6, 10 mM DTT, and 14-21% (w/v) polyethylene glycol (PEG) 4000 above 500 ul reservoir buffer. Colorless plate-shaped crystals were obtained within a few days. VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.05 Å R-free 0.246 |
| 2OCJ Human p53 core domain in the absence of DNA 提交 2006-12-20 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–312（219 aa）
片段：core domain (residues 94-312)
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.6；293 K；2 ul protein solution (5 mg/ml protein in 20 mM Tris, pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 ul reservoir buffer consisting of 100 mM Hepes, pH 7.6, 10 mM DTT, and 14-21% (w/v) polyethylene glycol (PEG) 4000 above 500 ul reservoir buffer. Colorless plate-shaped crystals were obtained within a few days. VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.05 Å R-free 0.246 |
| 2PCX Crystal structure of p53DBD(R282Q) at 1.54-angstrom Resolution 提交 2007-03-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–292（199 aa）
片段：p53 DBD DOMAIN
|
突变：R282Q | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；300 K；0.1M ammonium acetate, 25% PEG 3350, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
分辨率 1.54 Å R-free 0.232 |
| 2RUK Solution structure of the complex between p53 transactivation domain 2 and TFIIH p62 PH domain 提交 2014-09-24 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
41–62（22 aa）
片段：p53 transactivation domain, UNP residues 41-62
|
非标准单体：是（mmCIF未提供具体位点） | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.8；305 K；离子强度（mmCIF原始值）0.02；压力 ambient
NMR样品组成
0.4 mM [U-99% 13C; U-99% 15N] TFIIH p62 PH domain-1, 0.48 mM p53 TAD2-2, 20 mM potassium phosphate-3, 5 mM [U-2H] DTT-4, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
0.4 mM [U-99% 13C; U-99% 15N] TFIIH p62 PH domain-5, 0.48 mM p53 TAD2-6, 20 mM potassium phosphate-7, 5 mM [U-2H] DTT-8, 100% D2O | 100% D2O
|
分辨率未提供 |
| 2VUK Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083 提交 2008-05-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19 % PEG 4000, 5 MM DTT. CRYSTALS WERE SOAKED WITH 10 MM PHIKAN083 IN CRYO BUFFER CONTAINING 100 MM HEPES PH 7.2, 10 MM SODIUM PHOSPHATE PH 7.2, 19 % PEG 4000, 20 % GLYCEROL, 150 MM KCL.
|
分辨率 1.50 Å R-free 0.208 |
| 2VUK Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083 提交 2008-05-26 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 P83 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19 % PEG 4000, 5 MM DTT. CRYSTALS WERE SOAKED WITH 10 MM PHIKAN083 IN CRYO BUFFER CONTAINING 100 MM HEPES PH 7.2, 10 MM SODIUM PHOSPHATE PH 7.2, 19 % PEG 4000, 20 % GLYCEROL, 150 MM KCL.
|
分辨率 1.50 Å R-free 0.208 |
| 2WGX HUMAN P53 CORE DOMAIN MUTANT M133L-V203A-Y236F-N239Y-T253I-N268D 提交 2009-04-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19 % PEG 4000, 5 MM DTT.
|
分辨率 1.75 Å R-free 0.199 |
| 2WGX HUMAN P53 CORE DOMAIN MUTANT M133L-V203A-Y236F-N239Y-T253I-N268D 提交 2009-04-27 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19 % PEG 4000, 5 MM DTT.
|
分辨率 1.75 Å R-free 0.199 |
| 2X0U STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO A 2-amino substituted benzothiazole scaffold 提交 2009-12-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19% PEG 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF SMALL MOLECULE LIGAND IN 100 MM HEPES PH 7.2, 10 MM SODIUM PHOSPHATE PH 7.2, 19% PEG 4000, 20% GLYCEROL, 150 MM KCL.
|
分辨率 1.60 Å R-free 0.193 |
| 2X0U STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO A 2-amino substituted benzothiazole scaffold 提交 2009-12-17 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 X0U 6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19% PEG 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF SMALL MOLECULE LIGAND IN 100 MM HEPES PH 7.2, 10 MM SODIUM PHOSPHATE PH 7.2, 19% PEG 4000, 20% GLYCEROL, 150 MM KCL.
|
分辨率 1.60 Å R-free 0.193 |
| 2X0V STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO 4-(trifluoromethyl)benzene-1,2-diamine 提交 2009-12-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19 % PEG 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF SMALL MOLECULE LIGAND IN 100 MM HEPES PH 7.2, 10 MM SODIUM PHOSPHATE PH 7.2, 19 % PEG 4000, 20 % GLYCEROL, 150 MM KCL.
|
分辨率 1.80 Å R-free 0.189 |
| 2X0V STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO 4-(trifluoromethyl)benzene-1,2-diamine 提交 2009-12-17 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 X0V 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19 % PEG 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF SMALL MOLECULE LIGAND IN 100 MM HEPES PH 7.2, 10 MM SODIUM PHOSPHATE PH 7.2, 19 % PEG 4000, 20 % GLYCEROL, 150 MM KCL.
|
分辨率 1.80 Å R-free 0.189 |
| 2X0W STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO 5,6-dimethoxy- 2-methylbenzothiazole 提交 2009-12-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19% PEG 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF SMALL MOLECULE LIGAND IN 100 MM HEPES PH 7.2, 10 MM SODIUM PHOSPHATE PH 7.2, 19% PEG 4000, 20% GLYCEROL, 150 MM KCL.
|
分辨率 2.10 Å R-free 0.228 |
| 2X0W STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO 5,6-dimethoxy- 2-methylbenzothiazole 提交 2009-12-17 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 X0W 5,6-DIMETHOXY-2-METHYL-1,3-BENZOTHIAZOLE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES PH 7.2, 19% PEG 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF SMALL MOLECULE LIGAND IN 100 MM HEPES PH 7.2, 10 MM SODIUM PHOSPHATE PH 7.2, 19% PEG 4000, 20% GLYCEROL, 150 MM KCL.
|
分辨率 2.10 Å R-free 0.228 |
| 2XWR Crystal structure of the DNA-binding domain of human p53 with extended N terminus 提交 2010-11-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
89–293（205 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 89-293
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；290 K；SITTING DROP VAPOR DIFFUSION AT 17 DEGREE C. PROTEIN SOLUTION: 5.4 MG/ML IN 25 MM SODIUM PHOSPHATE, PH 7.2, 220 MM NACL, AND 5 MM DTT. RESERVOIR SOLUTION: 100 MM BIS-TRIS, PH 5.5, 23% PEG 3350, 200 MM AMMONIUM SULFATE.
|
分辨率 1.68 Å R-free 0.209 |
| 2XWR Crystal structure of the DNA-binding domain of human p53 with extended N terminus 提交 2010-11-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
89–293（205 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 89-293
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；290 K；SITTING DROP VAPOR DIFFUSION AT 17 DEGREE C. PROTEIN SOLUTION: 5.4 MG/ML IN 25 MM SODIUM PHOSPHATE, PH 7.2, 220 MM NACL, AND 5 MM DTT. RESERVOIR SOLUTION: 100 MM BIS-TRIS, PH 5.5, 23% PEG 3350, 200 MM AMMONIUM SULFATE.
|
分辨率 1.68 Å R-free 0.209 |
| 2YBG Structure of Lys120-acetylated p53 core domain 提交 2011-03-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-293
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
PROTEIN SOLUTION: 5 MG/ML PROTEIN IN 20 MM CITRATE BUFFER PH 6.1, 150 MM NACL, 10 MM DTT. CRYSTALLIZATION BUFFER: 26% (W/V) PEG 3350, 43 MM SODIUM ACETATE AND 100 MM HEPES, PH 7.5
|
分辨率 1.90 Å R-free 0.226 |
| 2YBG Structure of Lys120-acetylated p53 core domain 提交 2011-03-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-293
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
PROTEIN SOLUTION: 5 MG/ML PROTEIN IN 20 MM CITRATE BUFFER PH 6.1, 150 MM NACL, 10 MM DTT. CRYSTALLIZATION BUFFER: 26% (W/V) PEG 3350, 43 MM SODIUM ACETATE AND 100 MM HEPES, PH 7.5
|
分辨率 1.90 Å R-free 0.226 |
| 2YBG Structure of Lys120-acetylated p53 core domain 提交 2011-03-08 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–293（200 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-293
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
PROTEIN SOLUTION: 5 MG/ML PROTEIN IN 20 MM CITRATE BUFFER PH 6.1, 150 MM NACL, 10 MM DTT. CRYSTALLIZATION BUFFER: 26% (W/V) PEG 3350, 43 MM SODIUM ACETATE AND 100 MM HEPES, PH 7.5
|
分辨率 1.90 Å R-free 0.226 |
| 2YBG Structure of Lys120-acetylated p53 core domain 提交 2011-03-08 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–293（200 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-293
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
PROTEIN SOLUTION: 5 MG/ML PROTEIN IN 20 MM CITRATE BUFFER PH 6.1, 150 MM NACL, 10 MM DTT. CRYSTALLIZATION BUFFER: 26% (W/V) PEG 3350, 43 MM SODIUM ACETATE AND 100 MM HEPES, PH 7.5
|
分辨率 1.90 Å R-free 0.226 |
| 2YDR CpOGA D298N in complex with p53-derived O-GlcNAc peptide 提交 2011-03-24 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 P
144–154（11 aa）
片段：RESIDUES 144-154
|
未记录 | CD CADMIUM ION × 18 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.5；0.6 M NAAC, 0.175 M CDSO4, 0.1 M HEPES PH 7.5
|
分辨率 2.75 Å R-free 0.219 |
| 2Z5S Molecular basis for the inhibition of p53 by Mdmx 提交 2007-07-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 P
15–29（15 aa）
片段：TRANSACTIVATION DOMAIN
|
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 6.5；280 K；30% PEG 300, 0.1M MES pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
分辨率 2.30 Å R-free 0.310 |
| 2Z5S Molecular basis for the inhibition of p53 by Mdmx 提交 2007-07-17 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 Q
15–29（15 aa）
片段：TRANSACTIVATION DOMAIN
|
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 6.5；280 K；30% PEG 300, 0.1M MES pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
分辨率 2.30 Å R-free 0.310 |
| 2Z5S Molecular basis for the inhibition of p53 by Mdmx 提交 2007-07-17 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 R
15–29（15 aa）
片段：TRANSACTIVATION DOMAIN
|
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 6.5；280 K；30% PEG 300, 0.1M MES pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
分辨率 2.30 Å R-free 0.310 |
| 2Z5T Molecular basis for the inhibition of p53 by Mdmx 提交 2007-07-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 P
15–29（15 aa）
片段：TRANSACTIVATION DOMAIN
|
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 6.5；280 K；30% PEG 300, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
分辨率 2.30 Å R-free 0.264 |
| 2Z5T Molecular basis for the inhibition of p53 by Mdmx 提交 2007-07-17 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 Q
15–29（15 aa）
片段：TRANSACTIVATION DOMAIN
|
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 6.5；280 K；30% PEG 300, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
分辨率 2.30 Å R-free 0.264 |
| 2Z5T Molecular basis for the inhibition of p53 by Mdmx 提交 2007-07-17 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 R
15–29（15 aa）
片段：TRANSACTIVATION DOMAIN
|
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 6.5；280 K；30% PEG 300, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
分辨率 2.30 Å R-free 0.264 |
| 3D05 Human p53 core domain with hot spot mutation R249S (II) 提交 2008-05-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：p53 Core Domain, UNP residues 94-293
|
突变：R249S | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.2M Sodium Acetate, 20% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.70 Å R-free 0.264 |
| 3D06 Human p53 core domain with hot spot mutation R249S (I) 提交 2008-05-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：p53 Core Domain, UNP residues 94-293
|
突变：R249S | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.15M Sodium acetate, 20% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.20 Å R-free 0.202 |
| 3D07 Human p53 core domain with hot spot mutation R249S (III) 提交 2008-05-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：p53 Core Domain, UNP residues 94-293
|
突变：R249S | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.2M Sodium Acetate, 20% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.20 Å R-free 0.256 |
| 3D07 Human p53 core domain with hot spot mutation R249S (III) 提交 2008-05-01 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
片段：p53 Core Domain, UNP residues 94-293
|
突变：R249S | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.2M Sodium Acetate, 20% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.20 Å R-free 0.256 |
| 3D08 Human p53 core domain with hot spot mutation R249S and second-site suppressor mutation H168R 提交 2008-05-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：p53 Core Domain, UNP residues 94-293
|
突变：R249S, H168R | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.2M Sodium acetate, 20% PEG3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.40 Å R-free 0.212 |
| 3D09 Human p53 core domain with hot spot mutation R249S and second-site suppressor mutations H168R and T123A 提交 2008-05-01 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：p53 Core Domain, UNP residues 94-293
|
突变：R249S, H168R, T123A | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.2M Sodium Acetate, 20% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.90 Å R-free 0.262 |
| 3D0A Human p53 core domain with hot spot mutation R249S and second site suppressor mutation H168R in sequence-specific complex with DNA 提交 2008-05-01 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 core domain, UNP residues 94-293
链 B
94–293（200 aa）
片段：P53 core domain, UNP residues 94-293
|
突变：R249S, H168R 突变：R249S, H168R | ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.2 M ammonium formate, 20% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.241 |
| 3D0A Human p53 core domain with hot spot mutation R249S and second site suppressor mutation H168R in sequence-specific complex with DNA 提交 2008-05-01 | Assembly 2 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 C
94–293（200 aa）
片段：P53 core domain, UNP residues 94-293
链 D
94–293（200 aa）
片段：P53 core domain, UNP residues 94-293
|
突变：R249S, H168R 突变：R249S, H168R | ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.2 M ammonium formate, 20% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.241 |
| 3DAB Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain 提交 2008-05-29 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
15–29（15 aa）
片段：UNP residues 15-29
|
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 6.5；300 K；25% PEG3350, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
分辨率 1.90 Å R-free 0.257 |
| 3DAB Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain 提交 2008-05-29 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 D
15–29（15 aa）
片段：UNP residues 15-29
|
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 6.5；300 K；25% PEG3350, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
分辨率 1.90 Å R-free 0.257 |
| 3DAB Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain 提交 2008-05-29 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 F
15–29（15 aa）
片段：UNP residues 15-29
|
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 6.5；300 K；25% PEG3350, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
分辨率 1.90 Å R-free 0.257 |
| 3DAB Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain 提交 2008-05-29 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 H
15–29（15 aa）
片段：UNP residues 15-29
|
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 6.5；300 K；25% PEG3350, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
分辨率 1.90 Å R-free 0.257 |
| 3DAC Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain 提交 2008-05-29 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 P
17–37（21 aa）
片段：UNP residues 17-37
|
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 6.5；300 K；30% PEG300, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP
|
分辨率 1.80 Å R-free 0.243 |
| 3DAC Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain 提交 2008-05-29 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
17–37（21 aa）
片段：UNP residues 17-37
|
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 6.5；300 K；30% PEG300, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP
|
分辨率 1.80 Å R-free 0.243 |
| 3IGK Diversity in DNA recognition by p53 revealed by crystal structures with Hoogsteen base pairs (p53-DNA complex 2) 提交 2009-07-28 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 core domain, unp residues 94-293
|
突变：H168R, R249S | ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.16M SODIUM ACETATE, 16% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.70 Å R-free 0.214 |
| 3IGL Diversity in DNA recognition by p53 revealed by crystal structures with Hoogsteen base pairs (p53-DNA complex 1) 提交 2009-07-28 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 core domain, unp residues 94-293
|
未记录 | ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.16M SODIUM ACETATE, 16% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.212 |
| 3KMD Crystal structure of the p53 core domain bound to a full consensus site as a self-assembled tetramer 提交 2009-11-10 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
92–291（200 aa）
片段：UNP residues 92-291, DNA binding domain
链 B
92–291（200 aa）
片段：UNP residues 92-291, DNA binding domain
链 C
92–291（200 aa）
片段：UNP residues 92-291, DNA binding domain
链 D
92–291（200 aa）
片段：UNP residues 92-291, DNA binding domain
|
未记录 | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
hanging drop；pH 6.68；291 K；16% PEG 4000, 142mM Nacl, pH 6.68, hanging drop, temperature 291K
|
分辨率 2.15 Å R-free 0.239 |
| 3KZ8 Diversity in DNA recognition by p53 revealed by crystal structures with Hoogsteen base pairs (p53-DNA complex 3) 提交 2009-12-08 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 core domain, UNP residues 94-293
链 B
94–293（200 aa）
片段：P53 core domain, UNP residues 94-293
|
未记录 | ZN ZINC ION × 4 IOD IODIDE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.20M AMMONIUM IODIDE, 20% PEG 3350, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.91 Å R-free 0.266 |
| 3LW1 Binary complex of 14-3-3 sigma and p53 pT387-peptide 提交 2010-02-23 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
385–393（9 aa）
片段：UNP residues 385-393
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M HEPES, 0.2M calcium chloride, 28% PEG 400, 5% glycerol, 2mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.28 Å R-free 0.151 |
| 3PDH Structure of Sir2Tm bound to a propionylated peptide 提交 2010-10-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 D
372–389（18 aa）
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；Crystals were obtained from 1:1 mix of protein and the well solution (9.5% (w/v) PEG3350, 100 mM CHES buffer), pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.80 Å R-free 0.210 |
| 3Q01 An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity 提交 2010-12-15 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–291（198 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 322-356) domains
链 A
322–356（35 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 322-356) domains
链 B
94–291（198 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 322-356) domains
链 B
322–356（35 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 322-356) domains
|
突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322T, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322T, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322T, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322T, L323M, M340Q, L344R, G356T | ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.2M ammonium acetate, 0.1M HEPES, pH 7.5, 45% v/v 2-Methyl-2,4-pentanediol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.10 Å R-free 0.282 |
| 3Q05 An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity 提交 2010-12-15 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–291（198 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 321-356) domains
链 A
321–356（36 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 321-356) domains
链 B
94–291（198 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 321-356) domains
链 B
321–356（36 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 321-356) domains
链 C
94–291（198 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 321-356) domains
链 C
321–356（36 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 321-356) domains
链 D
94–291（198 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 321-356) domains
链 D
321–356（36 aa）
片段：p53 DNA-binding (Res 94-291) and Oligomerization (Res 321-356) domains
|
突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322A, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322A, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322A, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322A, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322A, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322A, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322A, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322A, L323M, M340Q, L344R, G356T | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.15M DL-Malic Acid [pH 7.0], 20% Polyethylene Glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.40 Å R-free 0.267 |
| 3Q06 An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity 提交 2010-12-15 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
96–292（197 aa）
片段：p53 DNA-binding (Res 96-292) and Oligomerization (Res 321-356) domains
链 A
321–354（34 aa）
片段：p53 DNA-binding (Res 96-292) and Oligomerization (Res 321-356) domains
链 B
96–292（197 aa）
片段：p53 DNA-binding (Res 96-292) and Oligomerization (Res 321-356) domains
链 B
321–354（34 aa）
片段：p53 DNA-binding (Res 96-292) and Oligomerization (Res 321-356) domains
链 C
96–292（197 aa）
片段：p53 DNA-binding (Res 96-292) and Oligomerization (Res 321-356) domains
链 C
321–354（34 aa）
片段：p53 DNA-binding (Res 96-292) and Oligomerization (Res 321-356) domains
链 D
96–292（197 aa）
片段：p53 DNA-binding (Res 96-292) and Oligomerization (Res 321-356) domains
链 D
321–354（34 aa）
片段：p53 DNA-binding (Res 96-292) and Oligomerization (Res 321-356) domains
|
突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, M340Q, L344R, G356T | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.15M DL-Malic Acid pH 7.0, 20% Polyethylene Glycol 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 3.20 Å R-free 0.314 |
| 3SAK HIGH RESOLUTION SOLUTION NMR STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR (SAC STRUCTURES) 提交 1999-04-30 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
319–360（42 aa）
片段：OLIGOMERIZATION DOMAIN, RESIDUES 319 - 360
链 B
319–360（42 aa）
片段：OLIGOMERIZATION DOMAIN, RESIDUES 319 - 360
链 C
319–360（42 aa）
片段：OLIGOMERIZATION DOMAIN, RESIDUES 319 - 360
链 D
319–360（42 aa）
片段：OLIGOMERIZATION DOMAIN, RESIDUES 319 - 360
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
308 K
|
分辨率未提供 |
| 3TG5 Structure of SMYD2 in complex with p53 and SAH 提交 2011-08-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
365–375（11 aa）
片段：UNP residues 365-375
|
未记录 | GOL GLYCEROL × 1 SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 ZN ZINC ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；293 K；0.1M Hepes (pH 7.5), 25% PEG 3350, VAPOR DIFFUSION, temperature 293K
|
分辨率 2.30 Å R-free 0.263 |
| 3TS8 Crystal structure of a multidomain human p53 tetramer bound to the natural CDKN1A(p21) p53-response element 提交 2011-09-12 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–291（198 aa）
片段：p53 DNA-binding (UNP residues 94-291) and Oligomerization (UNP residues 321-356) domains
链 A
321–356（36 aa）
片段：p53 DNA-binding (UNP residues 94-291) and Oligomerization (UNP residues 321-356) domains
链 B
94–291（198 aa）
片段：p53 DNA-binding (UNP residues 94-291) and Oligomerization (UNP residues 321-356) domains
链 B
321–356（36 aa）
片段：p53 DNA-binding (UNP residues 94-291) and Oligomerization (UNP residues 321-356) domains
链 C
94–291（198 aa）
片段：p53 DNA-binding (UNP residues 94-291) and Oligomerization (UNP residues 321-356) domains
链 C
321–356（36 aa）
片段：p53 DNA-binding (UNP residues 94-291) and Oligomerization (UNP residues 321-356) domains
链 D
94–291（198 aa）
片段：p53 DNA-binding (UNP residues 94-291) and Oligomerization (UNP residues 321-356) domains
链 D
321–356（36 aa）
片段：p53 DNA-binding (UNP residues 94-291) and Oligomerization (UNP residues 321-356) domains
|
突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322t, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322t, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322t, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322t, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322t, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322t, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322t, L323M, M340Q, L344R, G356T 突变：C135V, C141V, W146Y, C182S, V203A, R209P, C229Y, H233Y, Y234F, N235K, Y236F, T253V, N268D, P322t, L323M, M340Q, L344R, G356T | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.2 M potassium tartrate tetrahydrate, 20% Polyethylene Glycol 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.80 Å R-free 0.283 |
| 3ZME Structure of the p53 core domain mutant Y220C bound to the small molecule PhiKan7242 提交 2013-02-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：Y220C | ZN ZINC ION × 1 QC5 2-(4-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl)-N,N-dimethylethanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；CRYSTALLIZATION CONDITIONS: SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 40 MM COMPOUND (PK7204) IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL. SOAKING TIME: 3 HOURS.
|
分辨率 1.35 Å R-free 0.175 |
| 3ZME Structure of the p53 core domain mutant Y220C bound to the small molecule PhiKan7242 提交 2013-02-07 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：Y220C | ZN ZINC ION × 1 QC5 2-(4-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl)-N,N-dimethylethanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；CRYSTALLIZATION CONDITIONS: SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 40 MM COMPOUND (PK7204) IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL. SOAKING TIME: 3 HOURS.
|
分辨率 1.35 Å R-free 0.175 |
| 4AGL Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan784 提交 2012-01-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P84 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.70 Å R-free 0.193 |
| 4AGL Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan784 提交 2012-01-30 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P84 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.70 Å R-free 0.193 |
| 4AGM Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086 提交 2012-01-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P86 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.52 Å R-free 0.197 |
| 4AGM Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086 提交 2012-01-30 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P86 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.52 Å R-free 0.197 |
| 4AGN Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116 提交 2012-01-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 NXG 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.60 Å R-free 0.194 |
| 4AGN Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116 提交 2012-01-30 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 NXG 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.60 Å R-free 0.194 |
| 4AGO Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5174 提交 2012-01-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P74 TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.45 Å R-free 0.217 |
| 4AGO Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5174 提交 2012-01-30 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P74 TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.45 Å R-free 0.217 |
| 4AGP Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5176 提交 2012-01-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P51 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.50 Å R-free 0.187 |
| 4AGP Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5176 提交 2012-01-30 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P51 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.50 Å R-free 0.187 |
| 4AGQ Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196 提交 2012-01-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P96 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 13 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.42 Å R-free 0.192 |
| 4AGQ Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196 提交 2012-01-30 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | P96 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 13 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.42 Å R-free 0.192 |
| 4BUZ SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND NAD 提交 2013-06-24 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 P
379–386（8 aa）
片段：RESIDUES 379-386
|
非标准单体：是（mmCIF未提供具体位点） | OCZ (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide × 1 NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 1 OAD 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE × 1 ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.5；8.5
|
分辨率 1.90 Å R-free 0.194 |
| 4BV2 CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE 提交 2013-06-24 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 H
376–388（13 aa）
片段：RESIDUES 380-384
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.9；20% PEG 6000, 0.1 M BIS-TRIS PH5.9
|
分辨率 3.30 Å R-free 0.318 |
| 4BV2 CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE 提交 2013-06-24 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 E
376–388（13 aa）
片段：RESIDUES 380-384
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.9；20% PEG 6000, 0.1 M BIS-TRIS PH5.9
|
分辨率 3.30 Å R-free 0.318 |
| 4BV2 CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE 提交 2013-06-24 | Assembly 5 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 H
376–388（13 aa）
片段：RESIDUES 380-384
|
未记录 | ZN ZINC ION × 1 OCZ (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide × 1 OAD 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.9；20% PEG 6000, 0.1 M BIS-TRIS PH5.9
|
分辨率 3.30 Å R-free 0.318 |
| 4BV2 CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE 提交 2013-06-24 | Assembly 6 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 E
376–388（13 aa）
片段：RESIDUES 380-384
|
未记录 | ZN ZINC ION × 1 OCZ (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide × 1 OAD 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 5.9；20% PEG 6000, 0.1 M BIS-TRIS PH5.9
|
分辨率 3.30 Å R-free 0.318 |
| 4FZ3 Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin 提交 2012-07-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
379–382（4 aa）
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；288 K；0.85M HEPES-NA, 8.5%(V/V) ISO-PROPANOL, 17%(W/V) PEG4000, 15%(V/V) GLYCEROL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K
|
分辨率 2.10 Å R-free 0.282 |
| 4HFZ Crystal Structure of an MDM2/P53 Peptide Complex 提交 2012-10-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
15–29（15 aa）
片段：residues 15-29
|
未记录 | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；0.2 M (NH4)2SO4, pH 4.6 and 30% w/v PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 2.69 Å R-free 0.247 |
| 4HFZ Crystal Structure of an MDM2/P53 Peptide Complex 提交 2012-10-05 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 D
15–29（15 aa）
片段：residues 15-29
|
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 7.4；277 K；0.2 M (NH4)2SO4, pH 4.6 and 30% w/v PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 2.69 Å R-free 0.247 |
| 4HJE Crystal structure of p53 core domain in complex with DNA 提交 2012-10-12 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
92–291（200 aa）
片段：UNP residues 92-291
链 B
92–291（200 aa）
片段：UNP residues 92-291
链 C
92–291（200 aa）
片段：UNP residues 92-291
链 D
92–291（200 aa）
片段：UNP residues 92-291
|
未记录 | ZN ZINC ION × 4 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 1.91 Å R-free 0.228 |
| 4IBQ Human p53 core domain with hot spot mutation R273C 提交 2012-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C | ZN ZINC ION × 1 ACT ACETATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.1M K-Acetate, 0.1M KF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.80 Å R-free 0.163 |
| 4IBQ Human p53 core domain with hot spot mutation R273C 提交 2012-12-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.1M K-Acetate, 0.1M KF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.80 Å R-free 0.163 |
| 4IBQ Human p53 core domain with hot spot mutation R273C 提交 2012-12-09 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.1M K-Acetate, 0.1M KF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.80 Å R-free 0.163 |
| 4IBQ Human p53 core domain with hot spot mutation R273C 提交 2012-12-09 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.1M K-Acetate, 0.1M KF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.80 Å R-free 0.163 |
| 4IBS Human p53 core domain with hot spot mutation R273H (form I) 提交 2012-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；12% PEG 3350, 0.12M Mg-Formate, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.78 Å R-free 0.181 |
| 4IBS Human p53 core domain with hot spot mutation R273H (form I) 提交 2012-12-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；12% PEG 3350, 0.12M Mg-Formate, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.78 Å R-free 0.181 |
| 4IBS Human p53 core domain with hot spot mutation R273H (form I) 提交 2012-12-09 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；12% PEG 3350, 0.12M Mg-Formate, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.78 Å R-free 0.181 |
| 4IBS Human p53 core domain with hot spot mutation R273H (form I) 提交 2012-12-09 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；12% PEG 3350, 0.12M Mg-Formate, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.78 Å R-free 0.181 |
| 4IBT Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R 提交 2012-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H, T284R | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.2M NaF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.70 Å R-free 0.182 |
| 4IBT Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R 提交 2012-12-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H, T284R | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.2M NaF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.70 Å R-free 0.182 |
| 4IBT Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R 提交 2012-12-09 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H, T284R | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.2M NaF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.70 Å R-free 0.182 |
| 4IBT Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R 提交 2012-12-09 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H, T284R | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.2M NaF, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.70 Å R-free 0.182 |
| 4IBU Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R in sequence-specific complex with DNA 提交 2012-12-09 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：octameric（8） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：DNA binding domain
链 B
94–293（200 aa）
片段：DNA binding domain
链 C
94–293（200 aa）
片段：DNA binding domain
链 D
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C, T284R 突变：R273C, T284R 突变：R273C, T284R 突变：R273C, T284R | ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 16 ACT ACETATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1:2 PROTEIN/DNA RATIO, 14% PEG 3350, 0.14M Li-Acetate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.70 Å R-free 0.197 |
| 4IBV Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation S240R in sequence-specific complex with DNA 提交 2012-12-09 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C, S240R | EDO 1,2-ETHANEDIOL × 14 ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1:2.4 PROTEIN/DNA RATIO, 16% PEG 3350, 0.18M NH4F, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.10 Å R-free 0.229 |
| 4IBW Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R in sequence-specific complex with DNA 提交 2012-12-09 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H, T284R | ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 34 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1:2.4 PROTEIN/DNA RATIO, 14% PEG 3350, 0.14M NH4F, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.79 Å R-free 0.188 |
| 4IBY Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation S240R 提交 2012-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H, S240R | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.2M Na2HPO4, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.45 Å R-free 0.200 |
| 4IBY Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation S240R 提交 2012-12-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H, S240R | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；20% PEG 3350, 0.2M Na2HPO4, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.45 Å R-free 0.200 |
| 4IBZ Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R 提交 2012-12-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C, T284R | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；12% PEG 3350, 0.12M NH4-Acetate, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.92 Å R-free 0.233 |
| 4IBZ Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R 提交 2012-12-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C, T284R | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 5 ACT ACETATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；12% PEG 3350, 0.12M NH4-Acetate, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.92 Å R-free 0.233 |
| 4IBZ Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R 提交 2012-12-09 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C, T284R | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；12% PEG 3350, 0.12M NH4-Acetate, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.92 Å R-free 0.233 |
| 4IBZ Human p53 core domain with hot spot mutation R273C and second-site suppressor mutation T284R 提交 2012-12-09 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–293（200 aa）
片段：DNA binding domain
|
突变：R273C, T284R | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 6 ACT ACETATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；12% PEG 3350, 0.12M NH4-Acetate, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.92 Å R-free 0.233 |
| 4IJT Human p53 core domain with hot spot mutation R273H (form II) 提交 2012-12-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：DNA binding domain
|
突变：R273H | ZN ZINC ION × 2 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1:1.5 PROTEIN/DNA RATIO, 20% PEG 3350, 0.2M KCl, pH 6.1, Vapor diffusion, hanging drop, temperature 293K
|
分辨率 1.78 Å R-free 0.194 |
| 4KVP Human p53 Core Domain Mutant V157F 提交 2013-05-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：p53 Core Domain
|
突变：V157F | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer (25% (w/v) polyethylene glycol (PEG) 2000 monomethyl ether (MME)), pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.50 Å R-free 0.210 |
| 4KVP Human p53 Core Domain Mutant V157F 提交 2013-05-22 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：p53 Core Domain
|
突变：V157F | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer (25% (w/v) polyethylene glycol (PEG) 2000 monomethyl ether (MME)), pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.50 Å R-free 0.210 |
| 4KVP Human p53 Core Domain Mutant V157F 提交 2013-05-22 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–312（219 aa）
片段：p53 Core Domain
|
突变：V157F | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer (25% (w/v) polyethylene glycol (PEG) 2000 monomethyl ether (MME)), pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.50 Å R-free 0.210 |
| 4KVP Human p53 Core Domain Mutant V157F 提交 2013-05-22 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–312（219 aa）
片段：p53 Core Domain
|
突变：V157F | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer (25% (w/v) polyethylene glycol (PEG) 2000 monomethyl ether (MME)), pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 1.50 Å R-free 0.210 |
| 4LO9 Human p53 Core Domain Mutant N235K 提交 2013-07-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：p53 Core Domain (UNP residues 94-312)
|
突变：N235K | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer(100 mM HEPES, 30 % (w/v) polyethylene glycol (PEG) 6000, pH 7.0), VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.50 Å R-free 0.247 |
| 4LO9 Human p53 Core Domain Mutant N235K 提交 2013-07-12 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：p53 Core Domain (UNP residues 94-312)
|
突变：N235K | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer(100 mM HEPES, 30 % (w/v) polyethylene glycol (PEG) 6000, pH 7.0), VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.50 Å R-free 0.247 |
| 4LO9 Human p53 Core Domain Mutant N235K 提交 2013-07-12 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–312（219 aa）
片段：p53 Core Domain (UNP residues 94-312)
|
突变：N235K | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer(100 mM HEPES, 30 % (w/v) polyethylene glycol (PEG) 6000, pH 7.0), VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.50 Å R-free 0.247 |
| 4LO9 Human p53 Core Domain Mutant N235K 提交 2013-07-12 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–312（219 aa）
片段：p53 Core Domain (UNP residues 94-312)
|
突变：N235K | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer(100 mM HEPES, 30 % (w/v) polyethylene glycol (PEG) 6000, pH 7.0), VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.50 Å R-free 0.247 |
| 4LOE Human p53 Core Domain Mutant N239Y 提交 2013-07-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：p53 Core Domain (UNP residues 94-312)
|
突变：N239Y | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer(200 mM lithium acetate, 20% (w/v) PEG 3350), VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.85 Å R-free 0.244 |
| 4LOE Human p53 Core Domain Mutant N239Y 提交 2013-07-12 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：p53 Core Domain (UNP residues 94-312)
|
突变：N239Y | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer(200 mM lithium acetate, 20% (w/v) PEG 3350), VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.85 Å R-free 0.244 |
| 4LOE Human p53 Core Domain Mutant N239Y 提交 2013-07-12 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–312（219 aa）
片段：p53 Core Domain (UNP residues 94-312)
|
突变：N239Y | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer(200 mM lithium acetate, 20% (w/v) PEG 3350), VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.85 Å R-free 0.244 |
| 4LOE Human p53 Core Domain Mutant N239Y 提交 2013-07-12 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–312（219 aa）
片段：p53 Core Domain (UNP residues 94-312)
|
突变：N239Y | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.6；277 K；2 microliter protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliter reservoir buffer(200 mM lithium acetate, 20% (w/v) PEG 3350), VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 1.85 Å R-free 0.244 |
| 4LOF Human p53 Core Domain Mutant V157F/N235K/N239Y 提交 2013-07-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：p53 Core Domain (UNP residues 94-312)
|
突变：V157F, N235K, N239Y | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.6；2 microliters protein solution (around 5.0-7.0 mg/ml protein in 20 mM Tris pH 7.6, 150 mM NaCl, 10 mM DTT) were mixed with 2 microliters reservoir buffer with 200 mM di-sodium hydrogen phosphate dehydrate (Na2HPO4), 20% (w/v) PEG 3350, VAPOR DIFFUSION
|
分辨率 2.00 Å R-free 0.256 |
| 4MZI Crystal structure of a human mutant p53 提交 2013-09-30 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–292（199 aa）
片段：UNP residues 94-292
|
突变：S121F, V122G | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.8；278 K；pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 1.25 Å R-free 0.201 |
| 4MZR Crystal structure of a polypeptide p53 mutant bound to DNA 提交 2013-09-30 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–358（265 aa）
片段：UNP residues 94-358
链 B
94–358（265 aa）
片段：UNP residues 94-358
链 C
94–358（265 aa）
片段：UNP residues 94-358
链 D
94–358（265 aa）
片段：UNP residues 94-358
|
突变：S121F, V122G 突变：S121F, V122G 突变：S121F, V122G 突变：S121F, V122G | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；0.2M potassium sodium tartrate tetrahydrate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
分辨率 2.90 Å R-free 0.281 |
| 4QO1 p53 DNA binding domain in complex with Nb139 提交 2014-06-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
92–312（221 aa）
片段：p53DBD, unp residues 92-312
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Crystals of the complex were obtained at 293K using the hanging-drop vapour diffusion method after mixing 1:l protein solution with 1:l reservoir solution equilibrated against 125 ul 0.2 M potassium formate 20% w/v PEG 3350 reservoir solution, pH 6.5, VAPOR DIFFUSION, HANGING DROP
|
分辨率 1.92 Å R-free 0.205 |
| 4RP6 Structure of the amyloid-forming segment LTIITLE from p53 (residues 252-258) 提交 2014-10-29 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 Z
252–258（7 aa）
片段：UNP residues 252-258
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；reservoir contained 0.1 M Tris buffer pH 8.5 and 20% ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.70 Å R-free 0.192 |
| 4RP7 Structure of the amyloid-forming segment TIITLE from p53 (residues 253-258) 提交 2014-10-29 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 Z
253–258（6 aa）
片段：UNP residues 253-258
|
未记录 | ZN ZINC ION × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；reservoir contained 0.01 M zinc
chloride, 0.1 M MES buffer pH 6, and 20% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.58 Å R-free 0.193 |
| 4XR8 Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution 提交 2015-01-20 | Assembly 1 其他组合 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 C
55–253（199 aa）
|
未记录 | PEG DI(HYDROXYETHYL)ETHER × 2 ZN ZINC ION × 3 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；7.5 % PEG 20K, 0.05 M MES pH 6.5
|
分辨率 2.25 Å R-free 0.246 |
| 4XR8 Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution 提交 2015-01-20 | Assembly 2 其他组合 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 D
55–253（199 aa）
|
未记录 | PEG DI(HYDROXYETHYL)ETHER × 2 ZN ZINC ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；7.5 % PEG 20K, 0.05 M MES pH 6.5
|
分辨率 2.25 Å R-free 0.246 |
| 5A7B Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211 提交 2015-07-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 KMN 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；CRYSTALLIZATION CONDITIONS: SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.40 Å R-free 0.192 |
| 5A7B Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211 提交 2015-07-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 KMN 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；CRYSTALLIZATION CONDITIONS: SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.40 Å R-free 0.192 |
| 5AB9 Structure of the p53 cancer mutant Y220C with bound small molecule 7- ethyl-3-(piperidin-4-yl)-1H-indole 提交 2015-08-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 92O 7-ethyl-3-(piperidin-4-yl)-1H-indole × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 40 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.36 Å R-free 0.166 |
| 5AB9 Structure of the p53 cancer mutant Y220C with bound small molecule 7- ethyl-3-(piperidin-4-yl)-1H-indole 提交 2015-08-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 92O 7-ethyl-3-(piperidin-4-yl)-1H-indole × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 40 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.36 Å R-free 0.166 |
| 5ABA Structure of the p53 cancer mutant Y220C with bound small-molecule stabilizer PhiKan5149 提交 2015-08-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 UL7 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol] × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.62 Å R-free 0.203 |
| 5ABA Structure of the p53 cancer mutant Y220C with bound small-molecule stabilizer PhiKan5149 提交 2015-08-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 UL7 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol] × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.62 Å R-free 0.203 |
| 5AOI Structure of the p53 cancer mutant Y220C in complex with an indole- based small molecule 提交 2015-09-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.78 Å R-free 0.206 |
| 5AOI Structure of the p53 cancer mutant Y220C in complex with an indole- based small molecule 提交 2015-09-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 RZH 2-(5-BROMO-7-ETHYL-2-METHYL-1H-INDOLE-3-YL)ETHAN-1-AMIN × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.78 Å R-free 0.206 |
| 5AOJ Structure of the p53 cancer mutant Y220C in complex with 2-hydroxy-3, 5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid 提交 2015-09-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | Y0V 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 23 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.47 Å R-free 0.178 |
| 5AOJ Structure of the p53 cancer mutant Y220C in complex with 2-hydroxy-3, 5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid 提交 2015-09-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | Y0V 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid × 1 ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 23 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.47 Å R-free 0.178 |
| 5AOK Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan7099 提交 2015-09-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 GOL GLYCEROL × 1 GOH 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 38 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.35 Å R-free 0.169 |
| 5AOK Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan7099 提交 2015-09-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 GOL GLYCEROL × 1 GOH 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 38 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.35 Å R-free 0.169 |
| 5AOL Structure of the p53 cancer mutant Y220C with bound 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine 提交 2015-09-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | UFV 3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.50 Å R-free 0.169 |
| 5AOL Structure of the p53 cancer mutant Y220C with bound 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine 提交 2015-09-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 MM COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.50 Å R-free 0.169 |
| 5AOM Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan883 提交 2015-09-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | FY8 N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide × 2 GOL GLYCEROL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.74 Å R-free 0.191 |
| 5AOM Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan883 提交 2015-09-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | FY8 N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.74 Å R-free 0.191 |
| 5BUA Lysine 120-acetylated P53 DNA binding domain in a complex with DNA. 提交 2015-06-03 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 DNA binding domain, UNP residues 94-293
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.1；286 K；0.2M Ammonium fluoride; 20% PEG 3350
|
分辨率 1.81 Å R-free 0.213 |
| 5ECG Crystal structure of the BRCT domains of 53BP1 in complex with p53 and H2AX-pSer139 (gammaH2AX) 提交 2015-10-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
95–312（218 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM NaF, 100mM Bis-Tris Propane pH 6.5, 20% (w/v) PEG 3,350
|
分辨率 3.00 Å R-free 0.264 |
| 5ECG Crystal structure of the BRCT domains of 53BP1 in complex with p53 and H2AX-pSer139 (gammaH2AX) 提交 2015-10-20 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 B
95–312（218 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；200mM NaF, 100mM Bis-Tris Propane pH 6.5, 20% (w/v) PEG 3,350
|
分辨率 3.00 Å R-free 0.264 |
| 5G4M Crystal structure of the p53 cancer mutant Y220C in complex with a monofluorinated derivative of the small molecule stabilizer Phikan083 提交 2016-05-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 O82 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.38 Å R-free 0.170 |
| 5G4M Crystal structure of the p53 cancer mutant Y220C in complex with a monofluorinated derivative of the small molecule stabilizer Phikan083 提交 2016-05-13 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, UNP RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 O82 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.38 Å R-free 0.170 |
| 5G4N Crystal structure of the p53 cancer mutant Y220C in complex with a difluorinated derivative of the small molecule stabilizer Phikan083 提交 2016-05-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 O83 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL
|
分辨率 1.35 Å R-free 0.168 |
| 5G4N Crystal structure of the p53 cancer mutant Y220C in complex with a difluorinated derivative of the small molecule stabilizer Phikan083 提交 2016-05-13 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 O83 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL
|
分辨率 1.35 Å R-free 0.168 |
| 5G4O Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083 提交 2016-05-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 O80 N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.48 Å R-free 0.171 |
| 5G4O Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083 提交 2016-05-13 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-BINDING DOMAIN, RESIDUES 94-312
|
突变：YES | ZN ZINC ION × 1 O80 N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；SITTING-DROP VAPOR DIFFUSION AT 21 DEGREE C. PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: SATURATED SOLUTION OF COMPOUND IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.48 Å R-free 0.171 |
| 5HOU Solution Structure of p53TAD-TAZ1 提交 2016-01-19 | Assembly 1 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–61（61 aa）
片段：p53TAD, TAZ1 domain of CBP
|
未记录 | ZN ZINC ION × 3 | SOLUTION NMR |
NMR测量条件
pH 6.8；308 K；离子强度（mmCIF原始值）50；压力 1
NMR测量条件
pH 6.4；308 K；离子强度（mmCIF原始值）50；压力 1
NMR样品组成
1.0 mM [U-15N] p53TAD - [NA] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 95% H2O, 5% D2O | 95% H2O/5% D2O
NMR样品组成
1.0 mM [U-15N][U-13C] p53TAD - [NA] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O | 99% D2O, 1% H2O
NMR样品组成
1.0 mM [NA] p53TAD - [U-15N] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR样品组成
1.0 mM [NA] p53TAD - [U-15N][U-13C] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O | 99% D2O, 1% H2O
NMR样品组成
1.0 mM [U-15N][U-13C] p53TAD - [NA] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR样品组成
1 mM [NA] p53TAD - [U-15N][U-13C] TAZ1 p53TAD-TAZ1 fusion protein, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 95% H2O/5% D2O | 95% H2O/5% D2O
|
分辨率未提供 |
| 5HP0 Solution Structure of TAZ2-p53AD2 提交 2016-01-19 | Assembly 1 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
37–61（25 aa）
片段：p53AD2, TAZ2 domain of CBP
|
未记录 | ZN ZINC ION × 3 | SOLUTION NMR |
NMR测量条件
pH 6.8；305 K；离子强度（mmCIF原始值）50；压力 1
NMR测量条件
pH 6.4；305 K；离子强度（mmCIF原始值）50；压力 1
NMR样品组成
1 mM [U-13C; U-15N] TAZ2-p53AD2, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 10 % [U-2H] D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1 mM [U-13C; U-15N] TAZ2-p53AD2, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O | 99% D2O, 1% H2O
NMR样品组成
1 mM [U-13C; U-15N] TAZ2-p53AD2, 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 5 % [U-2H] D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1 mM [U-13C] TAZ2, 1 mM p53AD2(38-61), 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 5 % [U-2H] D2O, 99% D2O, 1% H2O | 99% D2O, 1% H2O
NMR样品组成
1 mM [U-13C] p53AD2, 1 mM TAZ2, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O | 99% D2O, 1% H2O
|
分辨率未提供 |
| 5HPD Solution Structure of TAZ2-p53TAD 提交 2016-01-20 | Assembly 1 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
2–61（60 aa）
片段：p53TAD, TAZ2 domain of CBP
|
未记录 | ZN ZINC ION × 3 | SOLUTION NMR |
NMR测量条件
pH 6.8；305 K；离子强度（mmCIF原始值）50；压力 1
NMR测量条件
pH 6.4；305 K；离子强度（mmCIF原始值）50；压力 1
NMR样品组成
1.75 mM [U-13C; U-15N] TAZ2-p53TAD, 20 mM TRIS, 50 mM sodium chloride, 1 mM DTT, 10 % [U-2H] D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1.75 mM [U-13C; U-15N] TAZ2-p53TAD, 20 mM [U-2H] TRIS, 50 mM sodium chloride, 1 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O | 99% D2O, 1% H2O
NMR样品组成
1 mM [U-13C] TAZ2, 1 mM p53(13-37, 1 mM p53(38-61), 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 20 mM [U-2H] TRIS, 99% D2O, 1% H2O | 99% D2O, 1% H2O
NMR样品组成
1 mM TAZ2, 1 mM [U-13C] p53(13-37), 1 mM [U-13C] p53(38-61), 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O | 99% D2O, 1% H2O
NMR样品组成
1 mM TAZ2, 1 mM [U-15N] p53(13-61), 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 10 % [U-2H] D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1 mM [U-15N] TAZ2, 1 mM p53(13-61), 20 mM TRIS, 50 mM sodium chloride, 2 mM DTT, 10 % [U-2H] D2O, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR样品组成
1 mM TAZ2, 1 mM [U-13C] p53(13-61), 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O | 99% D2O, 1% H2O
NMR样品组成
1 mM [U-13C] TAZ2, 1 mM p53(13-61), 20 mM [U-2H] TRIS, 50 mM sodium chloride, 2 mM [U-2H] DTT, 99 % [U-2H] D2O, 99% D2O, 1% H2O | 99% D2O, 1% H2O
|
分辨率未提供 |
| 5LAP p53 cancer mutant Y220C with Cys182 alkylation 提交 2016-06-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 6SM 5-chloranylpyrimidine-4-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 mM Phikan11000 IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.42 Å R-free 0.193 |
| 5LAP p53 cancer mutant Y220C with Cys182 alkylation 提交 2016-06-14 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 6SM 5-chloranylpyrimidine-4-carboxylic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；PROTEIN SOLUTION: 6 MG/ML PROTEIN IN 25 MM SODIUM PHOSPHATE, PH 7.2, 150 MM KCL, 5 MM DTT. RESERVOIR BUFFER: 100 MM HEPES, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 5 MM DTT. SOAKING BUFFER: 30 mM Phikan11000 IN 100 MM HEPES, PH 7.2, 10 MM SODIUM PHOSPHATE, PH 7.2, 19% (W/V) POLYETHYLENE GLYCOL 4000, 20 % (V/V) GLYCEROL, 150 MM KCL.
|
分辨率 1.42 Å R-free 0.193 |
| 5LGY Lysine 120-acetylated P53 DNA binding domain in a complex with the BAX response element. 提交 2016-07-08 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–291（198 aa）
片段：UNP residues 94-291
链 B
94–291（198 aa）
片段：UNP residues 94-291
链 C
94–291（198 aa）
片段：UNP residues 94-291
链 D
94–291（198 aa）
片段：UNP residues 94-291
|
非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） 非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.1；286 K；0.22 M Ammonium acetate, 10% w/v PEG 3350, tri-Sodium citrate pH 6.1
|
分辨率 2.92 Å R-free 0.277 |
| 5MCT New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LHG1) 提交 2016-11-10 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN
链 B
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN
|
未记录 | ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 12 FOR FORMYL GROUP × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 7；292 K；0.1 M Ammonium citrate, 12% w/v Polyethylene glycol 3,350
|
分辨率 1.45 Å R-free 0.189 |
| 5MCU New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LHG2) 提交 2016-11-10 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN
链 B
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN
|
未记录 | ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 12 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 7；292 K；0.05 M HEPES sodium salt, 12% w/v Polyethylene glycol 3,350
|
分辨率 1.70 Å R-free 0.201 |
| 5MCV New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC1) 提交 2016-11-10 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
55–254（200 aa）
片段：P53 DNA BINDING DOMAIN
链 B
55–254（200 aa）
片段：P53 DNA BINDING DOMAIN
|
未记录 | ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 20 ACT ACETATE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 8.8；292 K；0.02 M Citric acid, 0.08 M BIS-TRIS propane, 16% w/v Polyethylene glycol 3,350
|
分辨率 1.60 Å R-free 0.188 |
| 5MCW New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LWC2) 提交 2016-11-10 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN
链 B
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN
|
未记录 | ZN ZINC ION × 4 FOR FORMYL GROUP × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 8.8；292 K；0.02 M Citric acid, 0.08 M BIS-TRIS propane, 18% w/v Polyethylene glycol 3,350
|
分辨率 1.90 Å R-free 0.235 |
| 5MF7 New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-GADD45) 提交 2016-11-17 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
55–254（200 aa）
片段：P53 DNA BINDING DOMAIN
链 B
55–254（200 aa）
片段：P53 DNA BINDING DOMAIN
|
未记录 | ZN ZINC ION × 4 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 8；292 K；4% Tacsimate, 12% w/v Polyethylene glycol 3,350
|
分辨率 1.59 Å R-free 0.233 |
| 5MG7 New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-p53R2) 提交 2016-11-21 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 DNA Binding Domain, UNP Residues 94-293
链 B
94–293（200 aa）
片段：P53 DNA Binding Domain, UNP Residues 94-293
|
未记录 | ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 7；292 K；0.07 M ammonium tartrate dibasic, 8.4% Polyethylene glycol 3,350
|
分辨率 1.45 Å R-free 0.202 |
| 5O1A p53 cancer mutant Y220C in complex with compound MB240 提交 2017-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9H5 [3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.44 Å R-free 0.178 |
| 5O1A p53 cancer mutant Y220C in complex with compound MB240 提交 2017-05-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9H5 [3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.44 Å R-free 0.178 |
| 5O1B p53 cancer mutant Y220C in complex with compound MB84 提交 2017-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9H2 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.43 Å R-free 0.174 |
| 5O1B p53 cancer mutant Y220C in complex with compound MB84 提交 2017-05-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9H2 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.43 Å R-free 0.174 |
| 5O1C p53 cancer mutant Y220C in complex with compound MB184 提交 2017-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GZ 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.32 Å R-free 0.172 |
| 5O1C p53 cancer mutant Y220C in complex with compound MB184 提交 2017-05-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GZ 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.32 Å R-free 0.172 |
| 5O1D p53 cancer mutant Y220C in complex with compound MB481 提交 2017-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GW 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.36 Å R-free 0.164 |
| 5O1D p53 cancer mutant Y220C in complex with compound MB481 提交 2017-05-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GW 3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.36 Å R-free 0.164 |
| 5O1E p53 cancer mutant Y220C im complex with compound MB577 提交 2017-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GT 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.30 Å R-free 0.165 |
| 5O1E p53 cancer mutant Y220C im complex with compound MB577 提交 2017-05-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GT 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.30 Å R-free 0.165 |
| 5O1F p53 cancer mutant Y220C in complex with compound MB582 提交 2017-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GQ 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.38 Å R-free 0.167 |
| 5O1F p53 cancer mutant Y220C in complex with compound MB582 提交 2017-05-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GQ 5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.38 Å R-free 0.167 |
| 5O1G p53 cancer mutant Y220C in complex with compound MB487 提交 2017-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GK 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.35 Å R-free 0.166 |
| 5O1G p53 cancer mutant Y220C in complex with compound MB487 提交 2017-05-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GK 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.35 Å R-free 0.166 |
| 5O1H p53 cancer mutant Y220C in complex with compound MB539 提交 2017-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GN 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.32 Å R-free 0.160 |
| 5O1H p53 cancer mutant Y220C in complex with compound MB539 提交 2017-05-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GN 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 30 mM compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.32 Å R-free 0.160 |
| 5O1I p53 cancer mutant Y220C in complex with compound MB710 提交 2017-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 9GH 2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.40 Å R-free 0.187 |
| 5O1I p53 cancer mutant Y220C in complex with compound MB710 提交 2017-05-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：UNP residues 94-312
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.40 Å R-free 0.187 |
| 5OL0 Structure of Leishmania infantum Silent Information Regulator 2 related protein 1 (LiSIR2rp1) in complex with acetylated p53 peptide 提交 2017-07-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 C
372–389（18 aa）
片段：UNP residues 372-389
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；100mM Na Hepes pH7.5; 25% PEG2000 MME
|
分辨率 1.99 Å R-free 0.226 |
| 5OL0 Structure of Leishmania infantum Silent Information Regulator 2 related protein 1 (LiSIR2rp1) in complex with acetylated p53 peptide 提交 2017-07-26 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 D
372–389（18 aa）
片段：UNP residues 372-389
|
非标准单体：是（mmCIF未提供具体位点） | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；100mM Na Hepes pH7.5; 25% PEG2000 MME
|
分辨率 1.99 Å R-free 0.226 |
| 5XZC Cryo-EM structure of p300-p53 protein complex 提交 2017-07-12 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 B
92–356（265 aa）
链 C
92–356（265 aa）
链 D
92–356（265 aa）
链 E
92–356（265 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 10.70 Å |
| 6FF9 Mutant R280K of human P53 提交 2018-01-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
58–250（193 aa）
|
突变：R280K | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；35% PEG 3350
|
分辨率 2.00 Å R-free 0.226 |
| 6FF9 Mutant R280K of human P53 提交 2018-01-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
58–250（193 aa）
|
突变：R280K | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；35% PEG 3350
|
分辨率 2.00 Å R-free 0.226 |
| 6FF9 Mutant R280K of human P53 提交 2018-01-04 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
58–250（193 aa）
|
突变：R280K | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；35% PEG 3350
|
分辨率 2.00 Å R-free 0.226 |
| 6FF9 Mutant R280K of human P53 提交 2018-01-04 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
58–250（193 aa）
|
突变：R280K | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；35% PEG 3350
|
分辨率 2.00 Å R-free 0.226 |
| 6FJ5 New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-AGG-HG) 提交 2018-01-20 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN, UNP residues 94-293
链 B
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN, UNP residues 94-293
链 C
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN, UNP residues 94-293
链 D
94–293（200 aa）
片段：P53 DNA BINDING DOMAIN, UNP residues 94-293
|
未记录 | ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 14 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 7；292 K；0.1 M Sodium formate pH 7.0, 12% w/v Polyethylene glycol 3,350
|
分辨率 2.05 Å R-free 0.244 |
| 6GGA p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9284 提交 2018-05-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D | EY2 (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.55 Å R-free 0.200 |
| 6GGA p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9284 提交 2018-05-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D | EY2 (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.55 Å R-free 0.200 |
| 6GGB p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9318 提交 2018-05-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 EXQ [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.32 Å R-free 0.161 |
| 6GGB p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9318 提交 2018-05-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 EXQ [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium × 1 GOL GLYCEROL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.32 Å R-free 0.161 |
| 6GGC p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9320 提交 2018-05-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 EXN [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.24 Å R-free 0.166 |
| 6GGC p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9320 提交 2018-05-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 EXN [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.24 Å R-free 0.166 |
| 6GGD p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9324 提交 2018-05-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D, | ZN ZINC ION × 1 EYB [9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.40 Å R-free 0.170 |
| 6GGD p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9324 提交 2018-05-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D, | ZN ZINC ION × 1 EYB [9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.40 Å R-free 0.170 |
| 6GGE p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9327 提交 2018-05-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：M133L, V203A, Y220S,N239Y, N268D | ZN ZINC ION × 1 EYE [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.25 Å R-free 0.171 |
| 6GGE p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9327 提交 2018-05-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：M133L, V203A, Y220S,N239Y, N268D | ZN ZINC ION × 1 EYE [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.25 Å R-free 0.171 |
| 6GGF Structure of the p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9328 提交 2018-05-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 EXQ [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm NaCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm NaCl.
|
分辨率 1.32 Å R-free 0.171 |
| 6GGF Structure of the p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9328 提交 2018-05-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 EXQ [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm NaCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of compound in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm NaCl.
|
分辨率 1.32 Å R-free 0.171 |
| 6LHD Crystal structure of p53/BCL-xL fusion complex 提交 2019-12-07 | Assembly 1 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
57–253（197 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；291.15 K；0.2M sodium malonate pH 7.0, 20%(w/v) polyethylene glycol 3,350
|
分辨率 2.50 Å R-free 0.260 |
| 6LHD Crystal structure of p53/BCL-xL fusion complex 提交 2019-12-07 | Assembly 2 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
57–253（197 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；291.15 K；0.2M sodium malonate pH 7.0, 20%(w/v) polyethylene glycol 3,350
|
分辨率 2.50 Å R-free 0.260 |
| 6RJZ Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface 提交 2019-04-29 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 K6B 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.58 Å R-free 0.218 |
| 6RK8 Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface 提交 2019-04-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 K6N 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.60 Å R-free 0.229 |
| 6RKI Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface 提交 2019-04-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 K6T 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.88 Å R-free 0.206 |
| 6RKK Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface 提交 2019-04-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 K6W 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.88 Å R-free 0.272 |
| 6RKM Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface 提交 2019-04-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 K6Z 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.88 Å R-free 0.230 |
| 6RL3 Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface 提交 2019-05-01 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 K48 5-azanyl-4-phenyl-thiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.30 Å R-free 0.192 |
| 6RL4 Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface 提交 2019-05-01 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 K7N 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.60 Å R-free 0.180 |
| 6RL6 Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface 提交 2019-05-01 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 K7Q ~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.60 Å R-free 0.183 |
| 6RM5 Fragment AZ-016 binding at the p53pT387/14-3-3 sigma interface 提交 2019-05-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 K8W 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.88 Å R-free 0.207 |
| 6RM7 Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface 提交 2019-05-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 K92 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.60 Å R-free 0.169 |
| 6RWH Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex 提交 2019-06-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | KLB 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide × 4 CA CALCIUM ION × 2 MG MAGNESIUM ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.68 Å R-free 0.227 |
| 6RWI Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface 提交 2019-06-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | KLE 5-phenylthiophene-2-carboximidamide × 2 CA CALCIUM ION × 2 MG MAGNESIUM ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.65 Å R-free 0.204 |
| 6RWS Fragment AZ-009 binding at the p53pT387/14-3-3 sigma interface 提交 2019-06-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | KLZ 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.53 Å R-free 0.200 |
| 6RWU Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface 提交 2019-06-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | KM8 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.46 Å R-free 0.221 |
| 6RX2 Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface 提交 2019-06-07 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 6 CA CALCIUM ION × 2 KM2 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.82 Å R-free 0.220 |
| 6RZ3 Crystal structure of a complex between the DNA-binding domain of p53 and the carboxyl-terminal conserved region of iASPP 提交 2019-06-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
62–292（231 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；294 K；18% (w/v) polyethylene glycol 3350, 0.18 M tri-sodium citrate
|
分辨率 4.23 Å R-free 0.292 |
| 6S39 Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface 提交 2019-06-24 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | K5Z 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide × 2 CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.88 Å R-free 0.388 |
| 6S9Q Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex 提交 2019-07-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | L1T 4-methyl-5-phenyl-thiophene-2-carboximidamide × 6 CA CALCIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT.
|
分辨率 1.69 Å R-free 0.226 |
| 6SHZ p53 cancer mutant Y220C 提交 2019-08-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–311（218 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220C, N239Y, N268D | EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT.
|
分辨率 1.24 Å R-free 0.172 |
| 6SHZ p53 cancer mutant Y220C 提交 2019-08-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–311（218 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT.
|
分辨率 1.24 Å R-free 0.172 |
| 6SI0 p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323 提交 2019-08-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 LEK 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of PK9323 in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.53 Å R-free 0.171 |
| 6SI0 p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9323 提交 2019-08-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220C, N239Y, N268D | ZN ZINC ION × 1 LEK 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine × 1 GOL GLYCEROL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of PK9323 in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.53 Å R-free 0.171 |
| 6SI1 p53 cancer mutant Y220H 提交 2019-08-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220H, N239Y, N268D | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT.
|
分辨率 1.44 Å R-free 0.178 |
| 6SI1 p53 cancer mutant Y220H 提交 2019-08-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220H, N239Y, N268D | ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT.
|
分辨率 1.44 Å R-free 0.178 |
| 6SI2 p53 cancer mutant Y220S 提交 2019-08-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220S, N239Y, N268D | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT.
|
分辨率 1.50 Å R-free 0.178 |
| 6SI2 p53 cancer mutant Y220S 提交 2019-08-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220S, N239Y, N268D | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT.
|
分辨率 1.50 Å R-free 0.178 |
| 6SI3 p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9301 提交 2019-08-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220S, N239Y, N268D | ZN ZINC ION × 1 LEB 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of PK9301 in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.40 Å R-free 0.176 |
| 6SI3 p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9301 提交 2019-08-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220S, N239Y, N268D | ZN ZINC ION × 1 LEB 1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine × 1 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: Saturated solution of PK9301 in 100 mm HEPES, ph 7.2, 10 mM sodium phosphate, ph 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm KCl.
|
分辨率 1.40 Å R-free 0.176 |
| 6SI4 p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9323 提交 2019-08-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220S, N239Y, N268D | ZN ZINC ION × 1 LEK 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT, 2 mM PK9323.
|
分辨率 1.80 Å R-free 0.225 |
| 6SI4 p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9323 提交 2019-08-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-binding domain
|
突变：M133L, V203A, Y220S, N239Y, N268D | ZN ZINC ION × 1 LEK 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM sodium phosphate, ph 7.2, 150 mm KCl, 5 mm DTT. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT, 2 mM PK9323.
|
分辨率 1.80 Å R-free 0.225 |
| 6SIN Fragment AZ-020 binding at the p53pT387/14-3-3 sigma interface 提交 2019-08-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | K65 ~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
|
分辨率 1.64 Å R-free 0.211 |
| 6SIO Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface 提交 2019-08-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 LFQ 5-methyl-4-phenyl-thiophene-2-carboximidamide × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
|
分辨率 1.60 Å R-free 0.195 |
| 6SIP Fragment AZ-011 binding at the p53pT387/14-3-3 sigma interface 提交 2019-08-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 LFB 7-methoxy-1-benzothiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
|
分辨率 1.60 Å R-free 0.196 |
| 6SIQ Fragment AZ-012 binding at the p53pT387/14-3-3 sigma interface 提交 2019-08-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | CL CHLORIDE ION × 2 LF5 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
|
分辨率 1.60 Å R-free 0.217 |
| 6SL6 p53 charged core 提交 2019-08-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
89–311（223 aa）
|
突变：A138G, L252K, T256R, R267L, N268D | GOL GLYCEROL × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.2 M Ammonium citrate tribasic pH 7.0, 20% w/v Polyethylene glycol 3,350
|
分辨率 1.67 Å R-free 0.180 |
| 6SLV Fragment AZ-013 binding at the p53pT387/14-3-3 sigma interface 提交 2019-08-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 P
382–393（12 aa）
|
非标准单体：是（mmCIF未提供具体位点） | MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 LJW 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT
|
分辨率 1.90 Å R-free 0.218 |
| 6T58 Structure determination of the transactivation domain of p53 in complex with S100A4 using annexin A2 as a crystallization chaperone 提交 2019-10-15 | Assembly 1 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
17–56（40 aa）
|
突变：A280E,A280E,A280E,A280E | GOL GLYCEROL × 2 CA CALCIUM ION × 10 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；0.12 M Alcohols
0.1 M Sodium HEPES; MOPS (acid) pH7.5
20% v/v Ethylene glycol; 10 % w/v PEG 8000
Morpheus D6
|
分辨率 3.10 Å R-free 0.272 |
| 6T58 Structure determination of the transactivation domain of p53 in complex with S100A4 using annexin A2 as a crystallization chaperone 提交 2019-10-15 | Assembly 2 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
17–56（40 aa）
|
突变：A280E,A280E,A280E,A280E | GOL GLYCEROL × 2 CA CALCIUM ION × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；0.12 M Alcohols
0.1 M Sodium HEPES; MOPS (acid) pH7.5
20% v/v Ethylene glycol; 10 % w/v PEG 8000
Morpheus D6
|
分辨率 3.10 Å R-free 0.272 |
| 6VR1 Complex of HLA-A2, a class I MHC, with a p53 peptide 提交 2020-02-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 P
168–176（9 aa）
片段：residues 168-176
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8；296 K；15% PEG 8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride
|
分辨率 2.37 Å R-free 0.274 |
| 6VR1 Complex of HLA-A2, a class I MHC, with a p53 peptide 提交 2020-02-06 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 Q
168–176（9 aa）
片段：residues 168-176
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8；296 K；15% PEG 8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride
|
分辨率 2.37 Å R-free 0.274 |
| 6VR5 Complex of HLA-A2, a class I MHC, with a p53 peptide 提交 2020-02-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 P
168–176（9 aa）
片段：residues 168-176
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8；295 K；15% PEG 8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride
|
分辨率 2.38 Å R-free 0.280 |
| 6VR5 Complex of HLA-A2, a class I MHC, with a p53 peptide 提交 2020-02-06 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 Q
168–176（9 aa）
片段：residues 168-176
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 8；295 K；15% PEG 8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride
|
分辨率 2.38 Å R-free 0.280 |
| 6VRM T cell receptor-p53-HLA-A2 complex 提交 2020-02-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 P
168–176（9 aa）
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7；295 K；20% (w/v) polyacrylic acid 5100, 0.1 M HEPES, 20 mM MgCl2
|
分辨率 2.61 Å R-free 0.275 |
| 6VRN T cell receptor-p53-HLA-A2 complex 提交 2020-02-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 P
168–176（9 aa）
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 6.7；295 K；20% (w/v) PEG 3350, 0.2 M ammonium tartrate dibasic
|
分辨率 2.46 Å R-free 0.259 |
| 6W51 Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H 提交 2020-03-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 C
168–176（9 aa）
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；277 K；0.2 M Ammonium chloride, 20% w/v PEG 3350
|
分辨率 3.53 Å R-free 0.283 |
| 6W51 Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H 提交 2020-03-12 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 F
168–176（9 aa）
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；277 K；0.2 M Ammonium chloride, 20% w/v PEG 3350
|
分辨率 3.53 Å R-free 0.283 |
| 6W51 Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H 提交 2020-03-12 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 I
168–176（9 aa）
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；277 K；0.2 M Ammonium chloride, 20% w/v PEG 3350
|
分辨率 3.53 Å R-free 0.283 |
| 6W51 Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H 提交 2020-03-12 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 L
168–176（9 aa）
|
突变：R175H | PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；277 K；0.2 M Ammonium chloride, 20% w/v PEG 3350
|
分辨率 3.53 Å R-free 0.283 |
| 6XRE Structure of the p53/RNA polymerase II assembly 提交 2020-07-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 13 PDB 声明：tridecameric（13） 与蛋白数一致 |
链 M
1–393（393 aa）
|
未记录 | MG MAGNESIUM ION × 1 ZN ZINC ION × 8 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.9
cryo-EM玻璃化条件
冷冻剂 ETHANE；The assembled p53/Pol II co-complex was applied directly on the grid for 10 sec followed by
5.5 sec of blotting. The sample grid was then washed with 3.5% trehalose in 0.1 M KCl/HEM buffer (20 mM HEPES, 0.2 mM EDTA, 2 mM MgCl2 at pH 7.9) for 10 sec, blotted for 5.5 sec, and finally frozen in liquid ethane.
|
分辨率 4.60 Å |
| 6ZNC Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I) 提交 2020-07-06 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
|
未记录 | ZN ZINC ION × 2 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 6 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；292 K；Protein/DNA ratio 1:2.4, TRIS pH=8.5 100mM, 2.0% Tacsimate(tm) pH=8.0, 16% w/v PEG 3350
|
分辨率 1.64 Å R-free 0.190 |
| 7B46 Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (P1) 提交 2020-12-02 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：octameric（8） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
链 B
94–293（200 aa）
片段：p53 human DNA binding domain
链 C
94–293（200 aa）
片段：p53 human DNA binding domain
链 D
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：' 突变：' 突变：' 突变：' | ZN ZINC ION × 4 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 7 ACT ACETATE ION × 1 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；292 K；Protein/DNA ratio 1:2.4, 0.1M DL-Malic acid pH=7.0, 19% w/v PEG 3350
|
分辨率 2.02 Å R-free 0.203 |
| 7B47 Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to MQ: R273H-MQ (I) 提交 2020-12-02 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
链 B
94–293（200 aa）
片段：p53 human DNA binding domain
链 C
94–293（200 aa）
片段：p53 human DNA binding domain
链 D
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R273H 突变：R273H 突变：R273H 突变：R273H | ZN ZINC ION × 4 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 6 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.1；292 K；0.1M Li Acetate, 16% w/v PEG 3350
|
分辨率 1.80 Å R-free 0.202 |
| 7B48 Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to MQ: R273H-MQ (II) 提交 2020-12-02 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
链 B
94–293（200 aa）
片段：p53 human DNA binding domain
链 C
94–293（200 aa）
片段：p53 human DNA binding domain
链 D
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R273H 突变：R273H 突变：R273H 突变：R273H | ZN ZINC ION × 4 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 2 EDO 1,2-ETHANEDIOL × 6 ACT ACETATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.1；292 K；0.2M Li Acetate, 2.0% w/v Agarose, 20% w/v PEG 3350
|
分辨率 2.05 Å R-free 0.228 |
| 7B49 Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA and MQ: R273H-DNA-MQ 提交 2020-12-02 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
链 B
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R273H 突变：R273H | ZN ZINC ION × 4 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 4 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 4 FMT FORMIC ACID × 48 ACT ACETATE ION × 4 EDO 1,2-ETHANEDIOL × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.1；292 K；Protein/DNA ratio 1:1.4, 0.075M Sodium formate, 7.5% w/v PEG 3350
|
分辨率 1.42 Å R-free 0.229 |
| 7B4A Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA: R273H-DNA 提交 2020-12-02 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexamer（6） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
链 B
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R273H 突变：R273H | ZN ZINC ION × 4 FMT FORMIC ACID × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.1；292 K；Protein/DNA ratio 1:1.4, 0.075M Sodium formate, 7.5% w/v PEG 3350
|
分辨率 1.90 Å R-free 0.254 |
| 7B4B Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C mutant bound to MQ: R273C-MQ (I) 提交 2020-12-02 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetramer（4） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
链 B
94–293（200 aa）
片段：p53 human DNA binding domain
链 C
94–293（200 aa）
片段：p53 human DNA binding domain
链 D
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R273C 突变：R273C 突变：R273C 突变：R273C | ZN ZINC ION × 4 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 4 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 6 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.1；292 K；PROTEIN/DNA RATIO 1:2.4, 0.2M Sodium Fluoride, 20% w/v PEG 3350
|
分辨率 1.76 Å R-free 0.218 |
| 7B4C Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C mutant bound to MQ: R273C-MQ (II) 提交 2020-12-02 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetramer（4） 与蛋白数一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
链 B
94–293（200 aa）
片段：p53 human DNA binding domain
链 C
94–293（200 aa）
片段：p53 human DNA binding domain
链 D
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R273C 突变：R273C 突变：R273C 突变：R273C | ZN ZINC ION × 4 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 6 EDO 1,2-ETHANEDIOL × 4 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 1 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.1；292 K；0.2M Sodium Fluoride, 20% w/v PEG 3350
|
分辨率 1.71 Å R-free 0.182 |
| 7B4D Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ 提交 2020-12-02 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetramer（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R273C S240R | ZN ZINC ION × 2 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 6 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 2 FMT FORMIC ACID × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.1；292 K；Protein/DNA ratio 1:2.4, 0.2M Sodium formate, 20% w/v PEG 3350
|
分辨率 1.85 Å R-free 0.204 |
| 7B4E Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA and MQ: R282W-DNA-MQ 提交 2020-12-02 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetramer（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R282W | ZN ZINC ION × 2 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 6 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 2 PG4 TETRAETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 6.1；292 K；Protein/DNA ratio 1:1.5, 0.1M Sodium Acetate, 20% w/v PEG 3350
|
分辨率 1.58 Å R-free 0.201 |
| 7B4F Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (I) 提交 2020-12-02 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetramer（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R282W | ZN ZINC ION × 2 FMT FORMIC ACID × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；292 K；Protein/DNA ratio 1:1.5, 0.03M Citric acid, 0.07M BIS-TRIS propane pH=7.6, 20% w/v PEG 3350
|
分辨率 1.78 Å R-free 0.195 |
| 7B4G Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (II) 提交 2020-12-02 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
|
突变：R282W | ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 8 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；292 K；Protein/DNA ratio 1:1.5, 0.2M Sodium Acetate, 20% w/v PEG 3350
|
分辨率 1.86 Å R-free 0.205 |
| 7B4H Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (III) 提交 2020-12-02 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
|
未记录 | ZN ZINC ION × 2 ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 2 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 4 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 2 FMT FORMIC ACID × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；292 K；Protein/DNA ratio 1:2.4, 0.1M TRIS pH=8.5, 2% Tacsimate(TM) pH=8.0, 16% w/v PEG 3350
|
分辨率 1.39 Å R-free 0.200 |
| 7B4N Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (II) 提交 2020-12-02 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 2 PDB 声明：tetrameric（4） 与全部聚合物一致 |
链 A
94–293（200 aa）
片段：p53 human DNA binding domain
|
未记录 | ZN ZINC ION × 2 QN8 (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 4 QNN (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one × 2 FMT FORMIC ACID × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；292 K；Protein/DNA ratio 1:2.4, 0.1M TRIS pH=8.5, 2% Tacsimate(TM) pH=8.0, 16% w/v PEG 3350
|
分辨率 1.32 Å R-free 0.166 |
| 7BWN Crystal Structure of a Designed Protein Heterocatenane 提交 2020-04-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 L
326–356（31 aa）
|
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；298.15 K；Bis-Tris, (NH4)2SO4
|
分辨率 2.40 Å R-free 0.239 |
| 7BWN Crystal Structure of a Designed Protein Heterocatenane 提交 2020-04-15 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
326–356（31 aa）
|
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；298.15 K；Bis-Tris, (NH4)2SO4
|
分辨率 2.40 Å R-free 0.239 |
| 7BWN Crystal Structure of a Designed Protein Heterocatenane 提交 2020-04-15 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 D
326–356（31 aa）
|
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；298.15 K；Bis-Tris, (NH4)2SO4
|
分辨率 2.40 Å R-free 0.239 |
| 7BWN Crystal Structure of a Designed Protein Heterocatenane 提交 2020-04-15 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 G
326–356（31 aa）
|
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；298.15 K；Bis-Tris, (NH4)2SO4
|
分辨率 2.40 Å R-free 0.239 |
| 7BWN Crystal Structure of a Designed Protein Heterocatenane 提交 2020-04-15 | Assembly 5 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 I
326–356（31 aa）
|
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；298.15 K；Bis-Tris, (NH4)2SO4
|
分辨率 2.40 Å R-free 0.239 |
| 7BWN Crystal Structure of a Designed Protein Heterocatenane 提交 2020-04-15 | Assembly 6 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 K
326–356（31 aa）
|
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；298.15 K；Bis-Tris, (NH4)2SO4
|
分辨率 2.40 Å R-free 0.239 |
| 7BWN Crystal Structure of a Designed Protein Heterocatenane 提交 2020-04-15 | Assembly 7 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 N
326–356（31 aa）
|
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；298.15 K；Bis-Tris, (NH4)2SO4
|
分辨率 2.40 Å R-free 0.239 |
| 7BWN Crystal Structure of a Designed Protein Heterocatenane 提交 2020-04-15 | Assembly 8 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 P
326–356（31 aa）
|
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；298.15 K；Bis-Tris, (NH4)2SO4
|
分辨率 2.40 Å R-free 0.239 |
| 7DHY Arsenic-bound p53 DNA-binding domain mutant G245S 提交 2020-11-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
|
突变：G245S | ARS ARSENIC × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M Tris (pH 8.0-8.5), 20% (w/v) PEG 8000, 0.2 M Li2SO4, 2 mM EDTA, and 2 mM As2O3
|
分辨率 2.15 Å R-free 0.219 |
| 7DHY Arsenic-bound p53 DNA-binding domain mutant G245S 提交 2020-11-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
|
突变：G245S | ARS ARSENIC × 1 ZN ZINC ION × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M Tris (pH 8.0-8.5), 20% (w/v) PEG 8000, 0.2 M Li2SO4, 2 mM EDTA, and 2 mM As2O3
|
分辨率 2.15 Å R-free 0.219 |
| 7DHY Arsenic-bound p53 DNA-binding domain mutant G245S 提交 2020-11-18 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–293（200 aa）
|
突变：G245S | ARS ARSENIC × 1 ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M Tris (pH 8.0-8.5), 20% (w/v) PEG 8000, 0.2 M Li2SO4, 2 mM EDTA, and 2 mM As2O3
|
分辨率 2.15 Å R-free 0.219 |
| 7DHY Arsenic-bound p53 DNA-binding domain mutant G245S 提交 2020-11-18 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–293（200 aa）
|
突变：G245S | ARS ARSENIC × 1 ZN ZINC ION × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M Tris (pH 8.0-8.5), 20% (w/v) PEG 8000, 0.2 M Li2SO4, 2 mM EDTA, and 2 mM As2O3
|
分辨率 2.15 Å R-free 0.219 |
| 7DHZ Arsenic-bound p53 DNA-binding domain mutant R249S 提交 2020-11-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
|
突变：R249S | GOL GLYCEROL × 1 ARS ARSENIC × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1 M Bis-Tris (pH 7) and 22% PEG5000-MME
|
分辨率 1.74 Å R-free 0.257 |
| 7DHZ Arsenic-bound p53 DNA-binding domain mutant R249S 提交 2020-11-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
|
突变：R249S | GOL GLYCEROL × 2 ARS ARSENIC × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1 M Bis-Tris (pH 7) and 22% PEG5000-MME
|
分辨率 1.74 Å R-free 0.257 |
| 7DVD The crystal structure of p53 DNA binding domain and PUMA complex 提交 2021-01-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
92–290（199 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1 M Tris (pH 7.0)
20% (w/w) PEG-200 MME
|
分辨率 2.59 Å R-free 0.318 |
| 7DVD The crystal structure of p53 DNA binding domain and PUMA complex 提交 2021-01-13 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
92–290（199 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1 M Tris (pH 7.0)
20% (w/w) PEG-200 MME
|
分辨率 2.59 Å R-free 0.318 |
| 7DVD The crystal structure of p53 DNA binding domain and PUMA complex 提交 2021-01-13 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
92–290（199 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1 M Tris (pH 7.0)
20% (w/w) PEG-200 MME
|
分辨率 2.59 Å R-free 0.318 |
| 7DVD The crystal structure of p53 DNA binding domain and PUMA complex 提交 2021-01-13 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
92–290（199 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1 M Tris (pH 7.0)
20% (w/w) PEG-200 MME
|
分辨率 2.59 Å R-free 0.318 |
| 7EAX Crystal complex of p53-V272M and antimony ion 提交 2021-03-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
96–289（194 aa）
|
突变：V272M | ZN ZINC ION × 1 SB ANTIMONY (III) ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1M Tris pH 8.5, 10% w/v PEG3350 and 0.2M Magnesium chloride
|
分辨率 2.55 Å R-free 0.235 |
| 7EAX Crystal complex of p53-V272M and antimony ion 提交 2021-03-08 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
96–289（194 aa）
|
突变：V272M | ZN ZINC ION × 1 SB ANTIMONY (III) ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1M Tris pH 8.5, 10% w/v PEG3350 and 0.2M Magnesium chloride
|
分辨率 2.55 Å R-free 0.235 |
| 7EAX Crystal complex of p53-V272M and antimony ion 提交 2021-03-08 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
96–289（194 aa）
|
突变：V272M | ZN ZINC ION × 1 SB ANTIMONY (III) ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1M Tris pH 8.5, 10% w/v PEG3350 and 0.2M Magnesium chloride
|
分辨率 2.55 Å R-free 0.235 |
| 7EAX Crystal complex of p53-V272M and antimony ion 提交 2021-03-08 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
96–289（194 aa）
|
突变：V272M | ZN ZINC ION × 1 SB ANTIMONY (III) ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1M Tris pH 8.5, 10% w/v PEG3350 and 0.2M Magnesium chloride
|
分辨率 2.55 Å R-free 0.235 |
| 7EDS Human p53 core domain with germline hot spot mutation M133T in complex with the natural PIG3 p53-response element and Arsenic 提交 2021-03-17 | Assembly 1 蛋白–DNA 单体；蛋白 × 1 PDB 声明：trimeric（3） 与全部聚合物一致 |
链 A
94–293（200 aa）
|
突变：M133T | ARS ARSENIC × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M Tris pH 8.5-9, 17-19% PEG20000, 0.1 M MgCl2, 2 mM EDTA, 2 mM As2O3
|
分辨率 1.77 Å R-free 0.227 |
| 7EEU Human p53 core domain with hot spot mutation R282W in complex with the natural CDKN1A(p21) p53-response element and Arsenic 提交 2021-03-19 | Assembly 1 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 A
94–293（200 aa）
链 B
94–293（200 aa）
链 C
94–293（200 aa）
链 D
94–293（200 aa）
|
突变：R282W 突变：R282W 突变：R282W 突变：R282W | ARS ARSENIC × 4 ZN ZINC ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M Sodium acetate, 0.1 M HEPES pH 8.0, 10% w/v PEG 4000, 2mM EDTA and 2mM As2O3
|
分辨率 2.90 Å R-free 0.264 |
| 7EEU Human p53 core domain with hot spot mutation R282W in complex with the natural CDKN1A(p21) p53-response element and Arsenic 提交 2021-03-19 | Assembly 2 蛋白–DNA 同源多聚体；蛋白 × 4 PDB 声明：hexameric（6） 与全部聚合物一致 |
链 E
94–293（200 aa）
链 F
94–293（200 aa）
链 G
94–293（200 aa）
链 H
94–293（200 aa）
|
突变：R282W 突变：R282W 突变：R282W 突变：R282W | ARS ARSENIC × 4 ZN ZINC ION × 4 PEG DI(HYDROXYETHYL)ETHER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M Sodium acetate, 0.1 M HEPES pH 8.0, 10% w/v PEG 4000, 2mM EDTA and 2mM As2O3
|
分辨率 2.90 Å R-free 0.264 |
| 7EL4 The crystal structure of p53p peptide fragment in complex with the N-terminal domain of MdmX 提交 2021-04-08 | Assembly 1 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
23–29（7 aa）
|
未记录 | O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.16；291 K；0.1 M MES pH 6.5, 2 M MgSO4
|
分辨率 2.11 Å R-free 0.225 |
| 7NMI Transactivation domain of p53 in complex with S100P, using annexin A2 as crystallization chaperone 提交 2021-02-23 | Assembly 1 信息不足 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
17–56（40 aa）
|
未记录 | GOL GLYCEROL × 1 CA CALCIUM ION × 9 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；Morpheus screen (MD) H6
0.1 M Amino acids, 0.1 M Buffer System 2, pH 7.5, 30 % v/v Precipitant Mix 2
|
分辨率 2.10 Å R-free 0.228 |
| 7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 提交 2021-07-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 C
168–176（9 aa）
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
|
分辨率 3.33 Å R-free 0.295 |
| 7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 提交 2021-07-26 | Assembly 2 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 H
168–176（9 aa）
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
|
分辨率 3.33 Å R-free 0.295 |
| 7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 提交 2021-07-26 | Assembly 3 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 M
168–176（9 aa）
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
|
分辨率 3.33 Å R-free 0.295 |
| 7RM4 Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 提交 2021-07-26 | Assembly 4 蛋白异源复合物 异源复合物；蛋白 × 5 PDB 声明：pentameric（5） 与蛋白数一致 |
链 R
168–176（9 aa）
|
突变：R175H | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；20% (w/v) PEG 3350, 0.1 M Bis-Tris propane (pH 8.5), and 0.2 M Potassium thiocyanate
|
分辨率 3.33 Å R-free 0.295 |
| 7V97 Arsenic-bound p53 DNA-binding domain mutant V272M 提交 2021-08-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–293（200 aa）
|
未记录 | ARS ARSENIC × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.1 M Tris pH 8.2, 0.2 M Magnesium chloride, 16% w/v PEG 8000
|
分辨率 2.02 Å R-free 0.251 |
| 7V97 Arsenic-bound p53 DNA-binding domain mutant V272M 提交 2021-08-24 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–293（200 aa）
|
未记录 | ARS ARSENIC × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.1 M Tris pH 8.2, 0.2 M Magnesium chloride, 16% w/v PEG 8000
|
分辨率 2.02 Å R-free 0.251 |
| 7V97 Arsenic-bound p53 DNA-binding domain mutant V272M 提交 2021-08-24 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–293（200 aa）
|
未记录 | ARS ARSENIC × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.1 M Tris pH 8.2, 0.2 M Magnesium chloride, 16% w/v PEG 8000
|
分辨率 2.02 Å R-free 0.251 |
| 7V97 Arsenic-bound p53 DNA-binding domain mutant V272M 提交 2021-08-24 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–293（200 aa）
|
未记录 | ARS ARSENIC × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；291.15 K；0.1 M Tris pH 8.2, 0.2 M Magnesium chloride, 16% w/v PEG 8000
|
分辨率 2.02 Å R-free 0.251 |
| 7XZX Cryo-EM structure of the nucleosome in complex with p53 DNA-binding domain 提交 2022-06-03 | Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：tetradecameric（14） 与全部聚合物一致 |
链 K
94–293（200 aa）
链 L
94–293（200 aa）
链 M
94–293（200 aa）
链 N
94–293（200 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 4.53 Å |
| 7XZZ Cryo-EM structure of the nucleosome in complex with p53 提交 2022-06-03 | Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：tetradecameric（14） 与全部聚合物一致 |
链 K
1–393（393 aa）
链 L
1–393（393 aa）
链 M
1–393（393 aa）
链 N
1–393（393 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 4.07 Å |
| 7YGI Crystal structure of p53 DBD domain in complex with azurin 提交 2022-07-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
92–289（198 aa）
链 B
92–289（198 aa）
|
未记录 | NA SODIUM ION × 2 ZN ZINC ION × 2 K POTASSIUM ION × 2 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
BATCH MODE；298 K；0.05M Na2HPO4+19.5% PEG3350
|
分辨率 2.10 Å R-free 0.270 |
| 8A31 p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694 提交 2022-06-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-binding domain
|
未记录 | KV0 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 5.7 mg/ml protein in 25 mM sodium phosphate, pH 7.2, 150 mm NaCl, 0.5 mM TCEP. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 20 mM compound in 100 mm HEPES, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm NaCl.
|
分辨率 1.46 Å R-free 0.191 |
| 8A31 p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694 提交 2022-06-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-binding domain
|
未记录 | KV0 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid × 1 ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 5.7 mg/ml protein in 25 mM sodium phosphate, pH 7.2, 150 mm NaCl, 0.5 mM TCEP. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 20 mM compound in 100 mm HEPES, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm NaCl.
|
分辨率 1.46 Å R-free 0.191 |
| 8A32 p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 提交 2022-06-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-binding domain
|
未记录 | KVA 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 5.7 mg/ml protein in 25 mM sodium phosphate, pH 7.2, 150 mm NaCl, 0.5 mM TCEP. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 20 mM compound in 100 mm HEPES, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm NaCl.
|
分辨率 1.47 Å R-free 0.193 |
| 8A32 p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 提交 2022-06-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-binding domain
|
未记录 | KVA 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid × 1 ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 5.7 mg/ml protein in 25 mM sodium phosphate, pH 7.2, 150 mm NaCl, 0.5 mM TCEP. Reservoir buffer: 100 mm HEPES, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mm DTT. Soaking buffer: 20 mM compound in 100 mm HEPES, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mm NaCl.
|
分辨率 1.47 Å R-free 0.193 |
| 8A92 p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine 提交 2022-06-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：Y220C,M133L,V203A,N239Y,N268D | LE9 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.15；293 K；100 mM HEPES (pH = 7.15), 19 % PEG4000 and
10 mM DTT
|
分辨率 1.37 Å R-free 0.183 |
| 8A92 p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine 提交 2022-06-27 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：Y220C,M133L,V203A,N239Y,N268D | LE9 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.15；293 K；100 mM HEPES (pH = 7.15), 19 % PEG4000 and
10 mM DTT
|
分辨率 1.37 Å R-free 0.183 |
| 8CG7 Structure of p53 cancer mutant Y220C with arylation at Cys182 and Cys277 提交 2023-02-03 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 A1IH3 5-iodanyl-2-methylsulfonyl-pyrimidine × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml in 25 mM phosphate buffer, pH 7.2, 0.5 mM TCEP. Crystallization buffer: 19% polyethylene glycol 4000, 100 mM Hepes, pH 7.0. For covalent modification, crystals were soaked for 4 hours in crystallization buffer complemented with 20% glycerol and 30 mM compound before flash freezing in liquid nitrogen.
|
分辨率 1.53 Å R-free 0.187 |
| 8CG7 Structure of p53 cancer mutant Y220C with arylation at Cys182 and Cys277 提交 2023-02-03 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 A1IH3 5-iodanyl-2-methylsulfonyl-pyrimidine × 2 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml in 25 mM phosphate buffer, pH 7.2, 0.5 mM TCEP. Crystallization buffer: 19% polyethylene glycol 4000, 100 mM Hepes, pH 7.0. For covalent modification, crystals were soaked for 4 hours in crystallization buffer complemented with 20% glycerol and 30 mM compound before flash freezing in liquid nitrogen.
|
分辨率 1.53 Å R-free 0.187 |
| 8DC4 Crystal structure of p53 Y220C covalently bound to carbazole KG3 提交 2022-06-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：Y220C | ZN ZINC ION × 1 R3R 9-propanoyl-9H-carbazole-3-carbaldehyde, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 2.40 Å R-free 0.231 |
| 8DC4 Crystal structure of p53 Y220C covalently bound to carbazole KG3 提交 2022-06-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：Y220C | ZN ZINC ION × 1 R3R 9-propanoyl-9H-carbazole-3-carbaldehyde, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 2.40 Å R-free 0.231 |
| 8DC4 Crystal structure of p53 Y220C covalently bound to carbazole KG3 提交 2022-06-15 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–312（219 aa）
|
突变：Y220C | ZN ZINC ION × 1 R3R 9-propanoyl-9H-carbazole-3-carbaldehyde, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 2.40 Å R-free 0.231 |
| 8DC4 Crystal structure of p53 Y220C covalently bound to carbazole KG3 提交 2022-06-15 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–312（219 aa）
|
突变：Y220C | ZN ZINC ION × 1 R3R 9-propanoyl-9H-carbazole-3-carbaldehyde, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 2.40 Å R-free 0.231 |
| 8DC6 Crystal structure of p53 Y220C covalently bound to indole KG6 提交 2022-06-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：Y220C | ZN ZINC ION × 1 SO4 SULFATE ION × 5 R4F 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 1.60 Å R-free 0.202 |
| 8DC6 Crystal structure of p53 Y220C covalently bound to indole KG6 提交 2022-06-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：Y220C | ZN ZINC ION × 1 SO4 SULFATE ION × 3 R4F 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 1.60 Å R-free 0.202 |
| 8DC6 Crystal structure of p53 Y220C covalently bound to indole KG6 提交 2022-06-15 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
94–312（219 aa）
|
突变：Y220C | ZN ZINC ION × 1 SO4 SULFATE ION × 2 R4F 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 1.60 Å R-free 0.202 |
| 8DC6 Crystal structure of p53 Y220C covalently bound to indole KG6 提交 2022-06-15 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
94–312（219 aa）
|
突变：Y220C | ZN ZINC ION × 1 SO4 SULFATE ION × 3 R4F 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 1.60 Å R-free 0.202 |
| 8DC7 Crystal structure of p53 Y220C covalently bound to indole KG10 提交 2022-06-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | SO4 SULFATE ION × 3 ZN ZINC ION × 1 MG MAGNESIUM ION × 2 R4R 4-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 1.99 Å R-free 0.193 |
| 8DC8 Crystal structure of p53 Y220C covalently bound to azaindole KG13 提交 2022-06-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | R50 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form × 1 SO4 SULFATE ION × 2 ZN ZINC ION × 1 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100 mM HEPES, 2.2M MgSO4
|
分辨率 1.72 Å R-free 0.204 |
| 8E7A Crystal structure of the p53 (Y107H) core domain orthorhombic P form 提交 2022-08-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：S94-T312
|
突变：Y107H | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；291 K；30 % (w/v) PEG 2000 MME, 100 mM potassium thiocyanate
|
分辨率 1.30 Å R-free 0.174 |
| 8E7B Crystal structure of the p53 (Y107H) core domain monoclinic P form 提交 2022-08-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：S94-T312
|
突变：Y107H | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；28 % (w/v) PEG 2000 MME, 100 mM Bis-Tris
|
分辨率 2.50 Å R-free 0.279 |
| 8E7B Crystal structure of the p53 (Y107H) core domain monoclinic P form 提交 2022-08-23 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：S94-T312
|
突变：Y107H | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；28 % (w/v) PEG 2000 MME, 100 mM Bis-Tris
|
分辨率 2.50 Å R-free 0.279 |
| 8GCR HPV16 E6-E6AP-p53 complex 提交 2023-03-02 | Assembly 1 信息不足 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 3 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.38 Å |
| 8HLL Crystal structure of p53/BCL2 fusion complex (complex 1) 提交 2022-11-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
95–290（196 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；PEG 8K 8%-13%, 0.1M HEPES, 0.8% ethylene glycol
|
分辨率 2.62 Å R-free 0.280 |
| 8HLM Crystal structure of p53/BCL2 fusion complex (complex 2) 提交 2022-11-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
95–290（196 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；0.1 M Imidazole, PEG8K 15-21%
|
分辨率 2.52 Å R-free 0.290 |
| 8HLN Crystal structure of p53/BCL2 fusion complex(complex3) 提交 2022-11-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
95–290（196 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；0.1 M HEPES, PEG8000 8%-13%, 0.8% ethylene glycol
|
分辨率 2.35 Å R-free 0.253 |
| 8J8N Structure of p53 DNA-binding domain and ZNF568 KRAB domain complex 提交 2023-05-02 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 A
92–292（201 aa）
片段：DNA binding domain
链 B
92–292（201 aa）
片段：DNA binding domain
链 C
92–292（201 aa）
片段：DNA binding domain
链 D
92–292（201 aa）
片段：DNA binding domain
|
未记录 | ZN ZINC ION × 4 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.8
cryo-EM玻璃化条件
冷冻剂 NITROGEN
|
分辨率 9.02 Å |
| 8OXM ATM(Q2971A) activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide 提交 2023-05-02 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
11–22（12 aa）
链 F
11–22（12 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 ZN ZINC ION × 2 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.30 Å |
| 8OXO ATM(Q2971A) dimeric C-terminal region activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide 提交 2023-05-02 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 E
11–22（12 aa）
链 F
11–22（12 aa）
|
未记录 | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 ZN ZINC ION × 2 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.5
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.00 Å |
| 8QWK Structure of p53 cancer mutant Y126C 提交 2023-10-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 5.5-6.0 mg/ml in 25 mM HEPES (pH 7.5), 300 mM NaCl, 0.5 mM TCEP.
Reservoir buffer: 0.7 M sodium citrate and 0.1 M bis-tris-propane (pH 7.0).
|
分辨率 1.69 Å R-free 0.218 |
| 8QWL Structure of p53 cancer mutant Y163C 提交 2023-10-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 3 MLI MALONATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；Protein solution: 5.5-6.0 mg/ml in 25 mM HEPES (pH 7.5), 200 mM NaCl, 0.5 mM TCEP.
Reservoir buffer: 24% PEG 3350 (w/v), 10% ethylene glycol (v/v), 0.2 M sodium malonate (pH 7.0).
|
分辨率 1.65 Å R-free 0.189 |
| 8QWM Structure of p53 cancer mutant Y205C 提交 2023-10-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 TLA L(+)-TARTARIC ACID × 1 EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；Protein solution: 5.5-6.0 mg/ml in 25 mM HEPES (pH 7.5), 200 mM NaCl, 0.5 mM TCEP
Reservoir buffer: 18% PEG 3350 (w/v), 15% ethylene glycol (v/v), 0.2 M Na/K tartrate.
|
分辨率 1.54 Å R-free 0.221 |
| 8QWM Structure of p53 cancer mutant Y205C 提交 2023-10-19 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 TLA L(+)-TARTARIC ACID × 1 EDO 1,2-ETHANEDIOL × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；Protein solution: 5.5-6.0 mg/ml in 25 mM HEPES (pH 7.5), 200 mM NaCl, 0.5 mM TCEP
Reservoir buffer: 18% PEG 3350 (w/v), 15% ethylene glycol (v/v), 0.2 M Na/K tartrate.
|
分辨率 1.54 Å R-free 0.221 |
| 8QWN Structure of p53 cancer mutant Y220C (hexagonal crystal form) 提交 2023-10-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 5.5-6.0 mg/ml in 25 mM HEPES (pH 7.5), 200 mM NaCl, 0.5 mM TCEP
Reservoir buffer: 20% w/v PEG 8000 (w/v), 0.1 M Tris pH 8.5, 0.2 M magnesium chloride hexahydrate.
|
分辨率 1.44 Å R-free 0.209 |
| 8QWO Structure of p53 cancer mutant Y234C 提交 2023-10-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 5.5-6.0 mg/ml in 25 mM phosphate (pH 7.5), 150 mM NaCl, 0.5 mM TCEP
Reservoir buffer: 19% PEG 4000 (w/v), 0.1 M HEPES (pH 7.0), 5 mM DTT.
|
分辨率 1.38 Å R-free 0.178 |
| 8QWO Structure of p53 cancer mutant Y234C 提交 2023-10-19 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 5.5-6.0 mg/ml in 25 mM phosphate (pH 7.5), 150 mM NaCl, 0.5 mM TCEP
Reservoir buffer: 19% PEG 4000 (w/v), 0.1 M HEPES (pH 7.0), 5 mM DTT.
|
分辨率 1.38 Å R-free 0.178 |
| 8QWP Structure of p53 cancer mutant Y236C 提交 2023-10-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 TLA L(+)-TARTARIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；Protein solution: 5.5-6.0 mg/ml in 25 mM HEPES (pH 7.5), 200 mM NaCl, 0.5 mM TCEP.
Reservoir buffer: 19% PEG 3350 (w/v), 5% ethylene glycol (v/v), 0.2 M Na/K tartrate.
|
分辨率 2.10 Å R-free 0.268 |
| 8QWP Structure of p53 cancer mutant Y236C 提交 2023-10-19 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 TLA L(+)-TARTARIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；Protein solution: 5.5-6.0 mg/ml in 25 mM HEPES (pH 7.5), 200 mM NaCl, 0.5 mM TCEP.
Reservoir buffer: 19% PEG 3350 (w/v), 5% ethylene glycol (v/v), 0.2 M Na/K tartrate.
|
分辨率 2.10 Å R-free 0.268 |
| 8R1F Monomeric E6AP-E6-p53 ternary complex 提交 2023-11-01 | Assembly 1 信息不足 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 C
1–393（393 aa）
|
未记录 | ZN ZINC ION × 3 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.67 Å |
| 8R1G Dimeric ternary structure of E6AP-E6-p53 提交 2023-11-01 | Assembly 1 信息不足 异源复合物；蛋白 × 6 PDB 声明：hexameric（6） 与蛋白数一致 |
链 C
1–393（393 aa）
链 F
1–393（393 aa）
|
未记录 | ZN ZINC ION × 6 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.99 Å |
| 8RBA p53-Y220C Core Domain Covalently Bound to 2,5,6-trifluoropyridine-3-carbonitrile Soaked at 5 mM 提交 2023-12-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：M133L, V203A, N239Y, N268D, Y220C | YLW 2,5-bis(fluoranyl)pyridine-3-carbonitrile × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 7 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.57 Å R-free 0.183 |
| 8RBA p53-Y220C Core Domain Covalently Bound to 2,5,6-trifluoropyridine-3-carbonitrile Soaked at 5 mM 提交 2023-12-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：M133L, V203A, N239Y, N268D, Y220C | YLW 2,5-bis(fluoranyl)pyridine-3-carbonitrile × 1 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 5 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 ZN ZINC ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.57 Å R-free 0.183 |
| 8RBB p53-Y220C Core Domain Covalently Bound to 2,5,6-trifluoropyridine-3-carbonitrile Soaked at 40 mM 提交 2023-12-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | YLW 2,5-bis(fluoranyl)pyridine-3-carbonitrile × 5 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 4 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.69 Å R-free 0.207 |
| 8RBB p53-Y220C Core Domain Covalently Bound to 2,5,6-trifluoropyridine-3-carbonitrile Soaked at 40 mM 提交 2023-12-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | YLW 2,5-bis(fluoranyl)pyridine-3-carbonitrile × 4 EDO 1,2-ETHANEDIOL × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.69 Å R-free 0.207 |
| 8RBC p53-Y220C Core Domain Covalently Bound to 3-amino-5-chloropyrazine-2,6-dicarbonitrile Soaked at 5 mM 提交 2023-12-04 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | YM0 3-azanylpyrazine-2,6-dicarbonitrile × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 2.06 Å R-free 0.260 |
| 8RBC p53-Y220C Core Domain Covalently Bound to 3-amino-5-chloropyrazine-2,6-dicarbonitrile Soaked at 5 mM 提交 2023-12-04 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | YM0 3-azanylpyrazine-2,6-dicarbonitrile × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 2.06 Å R-free 0.260 |
| 8RCI Human p53 DNA-binding domain bound to DARPin C10 提交 2023-12-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–294（201 aa）
|
未记录 | EDO 1,2-ETHANEDIOL × 4 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 2.5 mg/ml of p53 DBD-DARPin C10 complex (1:1 ratio) in 50 mM Tris, pH 8, 150 mM NaCl, 0.5 mM TCEP
Crystallization buffer: 25 % w/v PEG 3350
|
分辨率 1.50 Å R-free 0.197 |
| 8UQR Crystal structure of the human p53 tetramerization domain 提交 2023-10-24 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
326–356（31 aa）
链 B
326–356（31 aa）
链 C
326–356（31 aa）
链 D
326–356（31 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；296 K；15% PEG 1500
|
分辨率 1.22 Å R-free 0.177 |
| 8WD2 The Crystal Structure of p53 from Biortus. 提交 2023-09-14 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：M133L,V203A,Y220C,N239Y,N268D | PO4 PHOSPHATE ION × 1 ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；0.04M Potassium phosphate monobasic, 16% w/v PEG 8000, 20% v/v Glycerol
|
分辨率 1.85 Å R-free 0.208 |
| 8WD2 The Crystal Structure of p53 from Biortus. 提交 2023-09-14 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：M133L,V203A,Y220C,N239Y,N268D | PO4 PHOSPHATE ION × 1 ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；0.04M Potassium phosphate monobasic, 16% w/v PEG 8000, 20% v/v Glycerol
|
分辨率 1.85 Å R-free 0.208 |
| 8XCB Cocrystal structure of p53 in complex of B20 提交 2023-12-08 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–293（200 aa）
链 B
94–293（200 aa）
|
未记录 | ZN ZINC ION × 2 GOL GLYCEROL × 1 A1LUZ 2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Tris pH 8.5, 10% w/v PEG3350 and 0.2M Magnesium chloride
|
分辨率 1.83 Å R-free 0.245 |
| 8XCB Cocrystal structure of p53 in complex of B20 提交 2023-12-08 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 C
94–293（200 aa）
链 D
94–293（200 aa）
|
未记录 | ZN ZINC ION × 2 GOL GLYCEROL × 2 A1LUZ 2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；277 K；0.1M Tris pH 8.5, 10% w/v PEG3350 and 0.2M Magnesium chloride
|
分辨率 1.83 Å R-free 0.245 |
| 8XCE cocrystal structure of p53 in complex of B23 提交 2023-12-08 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
94–293（200 aa）
链 B
94–293（200 aa）
链 C
94–293（200 aa）
链 D
94–293（200 aa）
|
未记录 | ZN ZINC ION × 4 A1LU0 2-[(2~{Z})-2-(3-ethynylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]ethanoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1M Tris pH 8.5, 10% w/v PEG3350 and 0.2M Magnesium chloride
|
分辨率 2.00 Å R-free 0.223 |
| 8XP5 The Crystal Structure of p53/BCL-xL fusion complex from Biortus. 提交 2024-01-03 | Assembly 1 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
95–292（198 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；0.05M MgCl2, 0.1M MES pH6.5, 5% PEG 4000, 10% 2-Propanol, 30% w/v D-Sorbito
|
分辨率 2.55 Å R-free 0.328 |
| 8XP5 The Crystal Structure of p53/BCL-xL fusion complex from Biortus. 提交 2024-01-03 | Assembly 2 信息不足 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
95–292（198 aa）
|
未记录 | ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；0.05M MgCl2, 0.1M MES pH6.5, 5% PEG 4000, 10% 2-Propanol, 30% w/v D-Sorbito
|
分辨率 2.55 Å R-free 0.328 |
| 9BR3 Crystal structure of p53 Y220C mutant in complex with PC-10709 提交 2024-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：Y220C | A1ARO 2-{3-[4-(methanesulfonyl)-2-methoxyanilino]prop-1-yn-1-yl}-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-amine × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；289 K；p53, CID 3799, at 6.93mg/ml; Optimization screen PMV1-opt1 e3: 16% PEG 8000, 20% glycerol, 20mM K2HPO4; protein + 1mM BSI 107743; cryo: direct; crystal tracking ID 285723e3, puck tai0-7
|
分辨率 1.90 Å R-free 0.191 |
| 9BR3 Crystal structure of p53 Y220C mutant in complex with PC-10709 提交 2024-05-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：Y220C | A1ARO 2-{3-[4-(methanesulfonyl)-2-methoxyanilino]prop-1-yn-1-yl}-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-amine × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；289 K；p53, CID 3799, at 6.93mg/ml; Optimization screen PMV1-opt1 e3: 16% PEG 8000, 20% glycerol, 20mM K2HPO4; protein + 1mM BSI 107743; cryo: direct; crystal tracking ID 285723e3, puck tai0-7
|
分辨率 1.90 Å R-free 0.191 |
| 9BR4 Crystal structure of p53 Y220C mutant in complex with PC-9859 提交 2024-05-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：p53
|
未记录 | A1ARZ 2-methyl-2-{5-[(3-{4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl}prop-2-yn-1-yl)amino]pyridin-2-yl}propanenitrile × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；289 K；p53, at 6.93mg/ml; Optimization screen PMV1-opt1 e2: 18% PEG 8000, 20% glycerol, 20mM K2HPO4; protein + 1mM compound PC-8959; cryo: direct; crystal tracking ID 272674 e2, puck mqj6-10
|
分辨率 1.70 Å R-free 0.175 |
| 9BR4 Crystal structure of p53 Y220C mutant in complex with PC-9859 提交 2024-05-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：p53
|
未记录 | A1ARZ 2-methyl-2-{5-[(3-{4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl}prop-2-yn-1-yl)amino]pyridin-2-yl}propanenitrile × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；289 K；p53, at 6.93mg/ml; Optimization screen PMV1-opt1 e2: 18% PEG 8000, 20% glycerol, 20mM K2HPO4; protein + 1mM compound PC-8959; cryo: direct; crystal tracking ID 272674 e2, puck mqj6-10
|
分辨率 1.70 Å R-free 0.175 |
| 9C5S Disulfide-linked, antiparallel p53-derived peptide dimer (CV1) 提交 2024-06-06 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
17–30（14 aa）
链 B
17–30（14 aa）
链 C
17–30（14 aa）
链 D
17–30（14 aa）
|
突变：p53-derived 非标准单体：是（mmCIF未提供具体位点） 突变：p53-derived 非标准单体：是（mmCIF未提供具体位点） 突变：p53-derived 非标准单体：是（mmCIF未提供具体位点） 突变：p53-derived 非标准单体：是（mmCIF未提供具体位点） | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；30 mM sodium nitrate, 30 mM dibasic sodium phosphate, 30 mM ammonium sulfate, 20% v/v glycerol, 10% w/v PEG4000, 100 mM imidazole/MES monohydrate buffer, pH 6.5
|
分辨率 1.01 Å R-free 0.202 |
| 9CHT Human E3 ligase E6AP in complex with HPV16-E6 and p53 提交 2024-07-02 | Assembly 1 信息不足 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 B
1–312（312 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7.4
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.54 Å |
| 9FZB Human p53 DNA-binding domain bound to DARPin C10-H82R 提交 2024-07-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–294（201 aa）
|
未记录 | EDO 1,2-ETHANEDIOL × 3 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 2.6 mg/ml p53 DBD-DARPin C10-H82R complex in
50 mM HEPES, pH 7.5, 300 mM NaCl, 0.5 mM TCEP.
Reservoir solution: 0.1 M Bis-Tris propane, pH 7.5, 0.02 M sodium potassium phosphate, pH 7.5, 20% (w/v) PEG 3350, 10% (v/v) ethylene glycol.
Drop volume ratio: 2:1
|
分辨率 1.44 Å R-free 0.184 |
| 9G5H p53-Y220C Core Domain Covalently Bound to 2-chloro-5-cyanopyrazine Soaked at 5 mM 提交 2024-07-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：Y220C, M133L, V203A, N239Y, N268D | A1IIO 5-chloranylpyrazine-2-carbonitrile × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 6 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.65 Å R-free 0.206 |
| 9G5H p53-Y220C Core Domain Covalently Bound to 2-chloro-5-cyanopyrazine Soaked at 5 mM 提交 2024-07-17 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：Y220C, M133L, V203A, N239Y, N268D | A1IIO 5-chloranylpyrazine-2-carbonitrile × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 ZN ZINC ION × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.65 Å R-free 0.206 |
| 9G6T p53-Y220C Core Domain Covalently Bound to 5-Chloro-6-methylpyrazine-2-carbonitrile Soaked at 5 mM 提交 2024-07-19 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–312（219 aa）
链 B
94–312（219 aa）
|
突变：Y220C, M133L, V203A, N239Y, N268D 突变：Y220C, M133L, V203A, N239Y, N268D | A1II4 5-chloranyl-6-methyl-pyrazine-2-carbonitrile × 5 EDO 1,2-ETHANEDIOL × 6 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 3 PEG DI(HYDROXYETHYL)ETHER × 3 GOL GLYCEROL × 3 ZN ZINC ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.56 Å R-free 0.199 |
| 9G6U p53-Y220C Core Domain Covalently Bound to 3,5-Dichloro-6-Ethylpyrazine-2-carbonitirle Soaked at 5 mM 提交 2024-07-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：Y220C, M133L, V203A, N239Y, N268D | A1II1 3,5-bis(chloranyl)-6-ethyl-pyrazine-2-carbonitrile × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 6 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.64 Å R-free 0.229 |
| 9G6U p53-Y220C Core Domain Covalently Bound to 3,5-Dichloro-6-Ethylpyrazine-2-carbonitirle Soaked at 5 mM 提交 2024-07-19 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：Y220C, M133L, V203A, N239Y, N268D | A1II1 3,5-bis(chloranyl)-6-ethyl-pyrazine-2-carbonitrile × 3 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 ZN ZINC ION × 1 GOL GLYCEROL × 3 PGE TRIETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.64 Å R-free 0.229 |
| 9R04 p53 bound to the nucleosome at position SHL-5.7 (crosslinked sample) 提交 2025-04-24 | Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：14-meric（14） 与全部聚合物一致 |
链 K
1–393（393 aa）
链 L
1–393（393 aa）
链 M
1–393（393 aa）
链 N
1–393（393 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 4.20 Å |
| 9R2M p53 bound to nucleosome at position SHL+5.9 (non-crosslinked sample, composite map) 提交 2025-04-30 | Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：14-meric（14） 与全部聚合物一致 |
链 K
1–393（393 aa）
链 L
1–393（393 aa）
链 M
1–393（393 aa）
链 N
1–393（393 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.50 Å |
| 9R2P p53 bound to nucleosome at position SHL+5.9 (crosslinked sample) 提交 2025-04-30 | Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：14-meric（14） 与全部聚合物一致 |
链 K
1–393（393 aa）
链 L
1–393（393 aa）
链 M
1–393（393 aa）
链 N
1–393（393 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 4.18 Å |
| 9R2Q p53 bound to nucleosome at position SHL-5.7 (non-crosslinked sample) 提交 2025-04-30 | Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：14-meric（14） 与全部聚合物一致 |
链 K
1–393（393 aa）
链 L
1–393（393 aa）
链 M
1–393（393 aa）
链 N
1–393（393 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 3.20 Å |
| 9S9L Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt precursor 提交 2025-08-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 A1JMS ~{N}-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mm sodium phosphate, pH 7.2, 150 mM KCl, 5 mM DTT. Reservoir buffer: 100 mM Hepes, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mM DTT. Soaking buffer: 19 mM compound in 100 mM Hepes, ph 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mM KCl.
|
分辨率 1.38 Å R-free 0.174 |
| 9S9L Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt precursor 提交 2025-08-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 A1JMS ~{N}-[3-[1-ethyl-5-(methylaminomethyl)indol-2-yl]prop-2-ynyl]aniline × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mm sodium phosphate, pH 7.2, 150 mM KCl, 5 mM DTT. Reservoir buffer: 100 mM Hepes, pH 7.2, 19% (w/v) polyethylene glycol 4000, 5 mM DTT. Soaking buffer: 19 mM compound in 100 mM Hepes, ph 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mM KCl.
|
分辨率 1.38 Å R-free 0.174 |
| 9S9M Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt analog 7 提交 2025-08-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | A1JMO 2-[3-[(4-dimethylphosphorylphenyl)amino]prop-1-ynyl]-~{N}-(1-methylpiperidin-4-yl)-1-[2,2,2-tris(fluoranyl)ethyl]indol-4-amine × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；mM Hepes, pH 7.0, 19% (w/v) polyethylene glycol 4000. Soaking buffer: 19 mM compound in 100 mM Hepes, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mM KCl.
|
分辨率 1.83 Å R-free 0.226 |
| 9S9M Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt analog 7 提交 2025-08-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | A1JMO 2-[3-[(4-dimethylphosphorylphenyl)amino]prop-1-ynyl]-~{N}-(1-methylpiperidin-4-yl)-1-[2,2,2-tris(fluoranyl)ethyl]indol-4-amine × 1 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；mM Hepes, pH 7.0, 19% (w/v) polyethylene glycol 4000. Soaking buffer: 19 mM compound in 100 mM Hepes, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mM KCl.
|
分辨率 1.83 Å R-free 0.226 |
| 9S9N Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt analog 8 提交 2025-08-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | A1JMP 1-~{tert}-butyl-~{N}-[[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 5 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM Hepes, pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 100 mM Hepes, pH 7.0, 19% (w/v) polyethylene glycol 4000. Soaking buffer: 17 mM compound in 100 mM Hepes, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mM KCl.
|
分辨率 1.72 Å R-free 0.207 |
| 9S9N Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt analog 8 提交 2025-08-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | A1JMP 1-~{tert}-butyl-~{N}-[[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM Hepes, pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 100 mM Hepes, pH 7.0, 19% (w/v) polyethylene glycol 4000. Soaking buffer: 17 mM compound in 100 mM Hepes, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mM KCl.
|
分辨率 1.72 Å R-free 0.207 |
| 9S9O Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt 提交 2025-08-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 A1JMR 4-[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]prop-2-ynylamino]-3-methoxy-~{N}-methyl-benzamide × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM Hepes, pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 100 mM Hepes, pH 7.0, 19% (w/v) polyethylene glycol 4000. Soaking buffer: 18 mM compound in 100 mM Hepes, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mM KCl
|
分辨率 1.49 Å R-free 0.186 |
| 9S9O Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt 提交 2025-08-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 A1JMR 4-[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]prop-2-ynylamino]-3-methoxy-~{N}-methyl-benzamide × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml protein in 25 mM Hepes, pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 100 mM Hepes, pH 7.0, 19% (w/v) polyethylene glycol 4000. Soaking buffer: 18 mM compound in 100 mM Hepes, pH 7.2, 10 mM sodium phosphate, pH 7.2, 19% (w/v) polyethylene glycol 4000, 20 % (v/v) glycerol, 150 mM KCl
|
分辨率 1.49 Å R-free 0.186 |
| 9S9P Crystal structure of p53 cancer mutant Y220S in complex with rezatapopt 提交 2025-08-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
片段：DNA-binding domain
|
未记录 | ZN ZINC ION × 1 A1JMR 4-[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]prop-2-ynylamino]-3-methoxy-~{N}-methyl-benzamide × 1 EDO 1,2-ETHANEDIOL × 6 NO3 NITRATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml in 25 mM Hepes, pH 7.5, 150 mM NaCl, 0.5 mM TCEP, 1 mM Rezatapopt, 2% DMSO. Reservoir buffer: 0.2 M ammonium nitrate, 20% PEG 3350 (protein:buffer 2:1). Cryo: reservoir buffer supplemented with 23% ethylene glycol.
|
分辨率 1.40 Å R-free 0.188 |
| 9S9P Crystal structure of p53 cancer mutant Y220S in complex with rezatapopt 提交 2025-08-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
片段：DNA-binding domain
|
未记录 | ZN ZINC ION × 1 A1JMR 4-[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]prop-2-ynylamino]-3-methoxy-~{N}-methyl-benzamide × 1 EDO 1,2-ETHANEDIOL × 10 NO3 NITRATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml in 25 mM Hepes, pH 7.5, 150 mM NaCl, 0.5 mM TCEP, 1 mM Rezatapopt, 2% DMSO. Reservoir buffer: 0.2 M ammonium nitrate, 20% PEG 3350 (protein:buffer 2:1). Cryo: reservoir buffer supplemented with 23% ethylene glycol.
|
分辨率 1.40 Å R-free 0.188 |
| 9S9Q Crystal structure of p53 cancer mutant Y220N in complex with rezatapopt 提交 2025-08-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 A1JMR 4-[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]prop-2-ynylamino]-3-methoxy-~{N}-methyl-benzamide × 1 EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml in 25 mM Hepes, pH 7.5, 150 mM NaCl, 0.5 mM TCEP, 1 mM Rezatapopt, 2% DMSO. Reservoir buffer: 10% PEG 8000, 8% ethylene glycol, 0.1 M HEPES pH 7.5 (protein:buffer 1:1). Cryo: reservoir buffer supplemented with 23% ethylene glycol.
|
分辨率 1.87 Å R-free 0.243 |
| 9S9Q Crystal structure of p53 cancer mutant Y220N in complex with rezatapopt 提交 2025-08-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 A1JMR 4-[3-[4-[[(3~{S},4~{R})-3-fluoranyl-1-methyl-piperidin-4-yl]amino]-1-[2,2,2-tris(fluoranyl)ethyl]indol-2-yl]prop-2-ynylamino]-3-methoxy-~{N}-methyl-benzamide × 1 EDO 1,2-ETHANEDIOL × 5 PEG DI(HYDROXYETHYL)ETHER × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 6 mg/ml in 25 mM Hepes, pH 7.5, 150 mM NaCl, 0.5 mM TCEP, 1 mM Rezatapopt, 2% DMSO. Reservoir buffer: 10% PEG 8000, 8% ethylene glycol, 0.1 M HEPES pH 7.5 (protein:buffer 1:1). Cryo: reservoir buffer supplemented with 23% ethylene glycol.
|
分辨率 1.87 Å R-free 0.243 |
| 9S9R Crystal structure of p53 cancer mutant Y220N 提交 2025-08-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；22.5% (w/v) BMW PEG smear broad, 0.1 M potassium sodium tartrate, 10% (w/v) ethylene glycol, 0.1 M sodium cacodylate, pH 5.3-5.8
|
分辨率 1.70 Å R-free 0.229 |
| 9S9R Crystal structure of p53 cancer mutant Y220N 提交 2025-08-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；277 K；22.5% (w/v) BMW PEG smear broad, 0.1 M potassium sodium tartrate, 10% (w/v) ethylene glycol, 0.1 M sodium cacodylate, pH 5.3-5.8
|
分辨率 1.70 Å R-free 0.229 |
| 9SPM p53 cancer mutant V143A in complex with DARPin C10 提交 2025-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–294（201 aa）
|
未记录 | EDO 1,2-ETHANEDIOL × 7 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 0.75 mg/ml p53-DARPin complex in 25 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 20% PEG smear broad, 0.1 M HEPES pH 7.5, 0.2 M ammonium nitrate. Drop volume ratio 1:1.
|
分辨率 1.71 Å R-free 0.218 |
| 9SPN p53 cancer mutant V157F in complex with DARPin C10 提交 2025-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–294（201 aa）
|
未记录 | EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 0.6 mg/ml DARPin-p53 complex in 25 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir solution: 20% PEG3350, 10% ethylene glycol, 0.2 M sodium/potassium phosphate. Drop volume ratio 2:1.
|
分辨率 1.93 Å R-free 0.223 |
| 9SPO p53 cancer mutant Y220C in complex with DARPin C10 提交 2025-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–294（201 aa）
|
未记录 | EDO 1,2-ETHANEDIOL × 9 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 2.3 mg/ml DARPin-p53 complex in 25 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir solution: 20% PEG3350, 10% ethylene glycol, 0.1 M bis-tris-propane pH 8.5, 0.2 M sodium formate. Drop volume ratio 2:1.
|
分辨率 1.48 Å R-free 0.182 |
| 9SPP p53 cancer mutant Y234C in complex with DARPin C10 提交 2025-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–294（201 aa）
|
未记录 | EDO 1,2-ETHANEDIOL × 8 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 1.5 mg/ml p53-DARPin complex in 25 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 15% PEG3350, 0.1 M magnesium formate. Drop volume ratio 2:1.
|
分辨率 1.47 Å R-free 0.192 |
| 9SPQ p53 cancer mutant V272M in complex with DARPin C10 提交 2025-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–294（201 aa）
|
未记录 | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein solution: 0.9 mg/ml p53-DARPin complex in 25 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 2.4 M sodium malonate. Drop volume ratio 2:1.
|
分辨率 2.20 Å R-free 0.222 |
| 9SPR p53 cancer mutant R282W in complex with DARPin C10 提交 2025-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–294（201 aa）
|
未记录 | ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein concentration: 1.8 mg/ml in 25 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 25% PEG3350, 0.1M HEPES pH 7.5, 0.2M lithium sulfate. Drop volume ratio 1:1.
|
分辨率 1.66 Å R-free 0.201 |
| 9SPS p53 cancer mutant E285K in complex with DARPin C10-H82R 提交 2025-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
94–294（201 aa）
|
未记录 | EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 1 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；Protein concentration p53-DARPin complex: 0.54 mg/ml in 25 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP. Reservoir buffer: 25% PEG3350, 0.2 M lithium sulfate monohydrate, 0.1 M Tris pH 8.5. Drop ratio protein vs reservoir buffer: 2:1.
|
分辨率 1.42 Å R-free 0.177 |
| 9SUK p53-R282W Core Domain Covalently Bound to a Vinyl-Sulfone Fragment 提交 2025-09-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
突变：M133L, V203A, N239Y, N268D, R282W | EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 PEG DI(HYDROXYETHYL)ETHER × 3 A1JQW 3-bromanyl-1-benzothiophene 1,1-dioxide × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.56 Å R-free 0.206 |
| 9SUK p53-R282W Core Domain Covalently Bound to a Vinyl-Sulfone Fragment 提交 2025-09-29 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
突变：M133L, V203A, N239Y, N268D, R282W | EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 A1JQW 3-bromanyl-1-benzothiophene 1,1-dioxide × 1 EDO 1,2-ETHANEDIOL × 4 ZN ZINC ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.2；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.56 Å R-free 0.206 |
| 9SZZ p53-Y220C Core Domain Covalently Bound to a Vinyl-Sulfone Fragment 提交 2025-10-16 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
94–312（219 aa）
|
未记录 | A1JQW 3-bromanyl-1-benzothiophene 1,1-dioxide × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 ZN ZINC ION × 1 PGE TRIETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.70 Å R-free 0.213 |
| 9SZZ p53-Y220C Core Domain Covalently Bound to a Vinyl-Sulfone Fragment 提交 2025-10-16 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
94–312（219 aa）
|
未记录 | A1JQW 3-bromanyl-1-benzothiophene 1,1-dioxide × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 ZN ZINC ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；100 mM HEPES (pH = 7.2), 19 % PEG4000 and 10 mM DTT
|
分辨率 1.70 Å R-free 0.213 |