当前蛋白身份：P62993
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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 |
|---|---|---|---|---|---|---|---|
| 1AZE NMR STRUCTURE OF THE COMPLEX BETWEEN THE C32S-Y7V MUTANT OF THE NSH3 DOMAIN OF GRB2 WITH A PEPTIDE FROM SOS, 10 STRUCTURES 提交 1997-11-17 | 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
1–56（56 aa）
片段：N-TERMINAL SH3 DOMAIN, RESIDUES 1 - 55
|
突变：Y7V, C32S | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6；293 K；离子强度（mmCIF原始值）NACL 100mM；压力 1
NMR样品组成
H2O, PHOSPHATE BUFFER 20MM, NACL 100MM
|
分辨率未提供 |
| 1BMB GRB2-SH2 DOMAIN IN COMPLEX WITH KPFY*VNVEF (PKF270-974) 提交 1998-07-23 | 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
46–168（123 aa）
片段：SH2 DOMAIN
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；PROTEIN (15MG/ML IN 100MM SODIUM CHLORIDE, 0.02% SODIUM AZIDE) WAS CRYSTALLIZED FROM 46% SATURATED AMMONIUM SULFATE, 100MM SODIUM MES PH 6.5, IN PRESENCE OF A 2-FOLD EXCESS OF LIGAND
|
分辨率 1.80 Å R-free 0.218 |
| 1BMB GRB2-SH2 DOMAIN IN COMPLEX WITH KPFY*VNVEF (PKF270-974) 提交 1998-07-23 | Assembly 2 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
46–168（123 aa）
片段：SH2 DOMAIN
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；PROTEIN (15MG/ML IN 100MM SODIUM CHLORIDE, 0.02% SODIUM AZIDE) WAS CRYSTALLIZED FROM 46% SATURATED AMMONIUM SULFATE, 100MM SODIUM MES PH 6.5, IN PRESENCE OF A 2-FOLD EXCESS OF LIGAND
|
分辨率 1.80 Å R-free 0.218 |
| 1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21 | 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
57–152（96 aa）
片段：SH2 DOMAIN
链 B
57–152（96 aa）
片段：SH2 DOMAIN
|
未记录 | C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION
|
分辨率 3.00 Å R-free 0.317 |
| 1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21 | 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
57–152（96 aa）
片段：SH2 DOMAIN
链 D
57–152（96 aa）
片段：SH2 DOMAIN
|
未记录 | C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION
|
分辨率 3.00 Å R-free 0.317 |
| 1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21 | Assembly 3 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 E
57–152（96 aa）
片段：SH2 DOMAIN
链 F
57–152（96 aa）
片段：SH2 DOMAIN
|
未记录 | C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION
|
分辨率 3.00 Å R-free 0.317 |
| 1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21 | Assembly 4 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 G
57–152（96 aa）
片段：SH2 DOMAIN
链 H
57–152（96 aa）
片段：SH2 DOMAIN
|
未记录 | C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION
|
分辨率 3.00 Å R-free 0.317 |
| 1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21 | Assembly 5 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 I
57–152（96 aa）
片段：SH2 DOMAIN
链 J
57–152（96 aa）
片段：SH2 DOMAIN
|
未记录 | C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION
|
分辨率 3.00 Å R-free 0.317 |
| 1CJ1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE 提交 1999-04-21 | Assembly 6 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 K
57–152（96 aa）
片段：SH2 DOMAIN
链 L
57–152（96 aa）
片段：SH2 DOMAIN
|
未记录 | C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 7.5；0.1 M HEPES.NA PH 7.5 1.4 M NA- ACETATE, VAPOR DIFFUSION
|
分辨率 3.00 Å R-free 0.317 |
| 1FHS THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY DOMAIN-2 OF THE GROWTH FACTOR RECEPTOR BOUND PROTEIN-2, NMR, 18 STRUCTURES 提交 1997-06-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
53–163（111 aa）
片段：SH2 DOMAIN
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 5.3；298 K
|
分辨率未提供 |
| 1GCQ CRYSTAL STRUCTURE OF VAV AND GRB2 SH3 DOMAINS 提交 2000-08-08 | 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
159–217（59 aa）
片段：C-TERMINAL SH3 DOMAIN
链 B
159–217（59 aa）
片段：C-TERMINAL SH3 DOMAIN
|
未记录 | MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293.2 K；2-methyl-2,4-pentanediol, imidazole, magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.2K
|
分辨率 1.68 Å R-free 0.235 |
| 1GFC SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE C-TERMINAL SH3 DOMAIN OF GRB2 提交 1994-06-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
159–215（57 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 |
| 1GFD SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE C-TERMINAL SH3 DOMAIN OF GRB2 提交 1994-06-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
159–215（57 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 |
| 1GHU NMR solution structure of growth factor receptor-bound protein 2 (GRB2) SH2 domain, 24 structures 提交 1996-08-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
60–158（99 aa）
片段：SH2 DOMAIN
|
突变：RESIDUES 58-59, 159-164 ARE CLONING ARTIFACTS | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.2；298 K
|
分辨率未提供 |
| 1GRI GRB2 提交 1995-02-28 | 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
1–217（217 aa）
链 B
1–217（217 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 3.10 Å |
| 1IO6 GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2 (GRB2) C-TERMINAL SH3 DOMAIN COMPLEXED WITH A LIGAND PEPTIDE (NMR, MINIMIZED MEAN STRUCTURE) 提交 2001-01-25 | 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 A
159–215（57 aa）
片段：C-TERMINAL SH3(RESIDUE 159-215)
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7.2；298 K
|
分辨率未提供 |
| 1JYR Xray Structure of Grb2 SH2 Domain Complexed with a Phosphorylated Peptide 提交 2001-09-13 | 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
60–151（92 aa）
片段：SH2 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 6；291 K；ammonium phosphate, PEG400, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.55 Å R-free 0.228 |
| 1JYR Xray Structure of Grb2 SH2 Domain Complexed with a Phosphorylated Peptide 提交 2001-09-13 | Assembly 2 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
60–151（92 aa）
片段：SH2 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 6；291 K；ammonium phosphate, PEG400, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 1.55 Å R-free 0.228 |
| 1JYU Xray Structure of Grb2 SH2 Domain 提交 2001-09-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
60–151（92 aa）
片段：SH2 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 6；291 K；PEG4000, glycerol, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.75 Å R-free 0.287 |
| 1JYU Xray Structure of Grb2 SH2 Domain 提交 2001-09-13 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 8 PDB 声明：octameric（8） 与蛋白数一致 |
链 A
60–151（92 aa）
片段：SH2 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 6；291 K；PEG4000, glycerol, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
分辨率 2.75 Å R-free 0.287 |
| 1QG1 GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED WITH AN SHC-DERIVED PEPTIDE 提交 1999-04-19 | 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 E
58–159（102 aa）
片段：SH2
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.3；301 K
|
分辨率未提供 |
| 1X0N NMR structure of growth factor receptor binding protein SH2 domain complexed with the inhibitor 提交 2005-03-24 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
58–159（102 aa）
片段：SH2 DOMAIN
|
未记录 | DTF 4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID × 1 | SOLUTION NMR |
NMR测量条件
pH 6.3；298 K；压力 1
NMR样品组成
1mM SH2 U-13C, 15N; 20mM sodium phosphate; 150mM NaCl | 90% H2O/10% D2O
|
分辨率未提供 |
| 2AOA Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
55–153（99 aa）
片段：SH2 (residues 55 - 153)
|
未记录 | S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.7；298 K；PEG3350, sodium chloride, sodium acetate, pH 5.7, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.99 Å R-free 0.307 |
| 2AOA Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
55–153（99 aa）
片段：SH2 (residues 55 - 153)
|
未记录 | S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.7；298 K；PEG3350, sodium chloride, sodium acetate, pH 5.7, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.99 Å R-free 0.307 |
| 2AOA Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12 | Assembly 3 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
55–153（99 aa）
片段：SH2 (residues 55 - 153)
链 B
55–153（99 aa）
片段：SH2 (residues 55 - 153)
|
未记录 | S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 3 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.7；298 K；PEG3350, sodium chloride, sodium acetate, pH 5.7, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.99 Å R-free 0.307 |
| 2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
55–153（99 aa）
片段：SH2 (residues 55 - 153)
|
未记录 | S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.80 Å R-free 0.293 |
| 2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
55–153（99 aa）
片段：SH2 (residues 55 - 153)
|
未记录 | S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.80 Å R-free 0.293 |
| 2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
55–153（99 aa）
片段：SH2 (residues 55 - 153)
|
未记录 | S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.80 Å R-free 0.293 |
| 2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
55–153（99 aa）
片段：SH2 (residues 55 - 153)
|
未记录 | S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.80 Å R-free 0.293 |
| 2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12 | Assembly 5 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
55–153（99 aa）
片段：SH2 (residues 55 - 153)
链 D
55–153（99 aa）
片段：SH2 (residues 55 - 153)
|
未记录 | S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.80 Å R-free 0.293 |
| 2AOB Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain 提交 2005-08-12 | Assembly 6 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
55–153（99 aa）
片段：SH2 (residues 55 - 153)
链 B
55–153（99 aa）
片段：SH2 (residues 55 - 153)
|
未记录 | S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 5.7；298 K；PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K
|
分辨率 1.80 Å R-free 0.293 |
| 2H5K Crystal Structure of Complex Between the Domain-Swapped Dimeric Grb2 SH2 Domain and Shc-Derived Ligand, Ac-NH-pTyr-Val-Asn-NH2 提交 2006-05-26 | 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
53–162（110 aa）
片段：SH2 Domain
链 B
53–162（110 aa）
片段：SH2 Domain
|
未记录 | CAC CACODYLATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Protein-ligand solution in 25 mM sodium cacodylate, pH 6.0 mixed with equal volume of 0.1 M sodium cacodylate, 0.1 M calcium acetate, 18% PEG 8000, pH 6.0., VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 3.25 Å R-free 0.300 |
| 2HUW X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand 提交 2006-07-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
53–162（110 aa）
片段：SH2 domain
|
未记录 | YVN N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Ligand (cpYVN) was added to a 1.5 molar excess to a solution of 50 mg/ml Grb2-SH2 in 50 mM sodium cacodylate at PH 6.0. This solution was mixed with an equal volume of 4% (v/v) PEG 400, 2.0 M (NH4)2PO4., VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.90 Å R-free 0.227 |
| 2HUW X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand 提交 2006-07-27 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
53–162（110 aa）
片段：SH2 domain
|
未记录 | YVN N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；Ligand (cpYVN) was added to a 1.5 molar excess to a solution of 50 mg/ml Grb2-SH2 in 50 mM sodium cacodylate at PH 6.0. This solution was mixed with an equal volume of 4% (v/v) PEG 400, 2.0 M (NH4)2PO4., VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.90 Å R-free 0.227 |
| 2VVK Grb2 SH3C (1) 提交 2008-06-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
161–214（54 aa）
片段：SH3 DOMAIN, RESIDUES 161-214
|
未记录 | GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 4.6；8% PEG 4K, 0.1M NAACETATE PH 4.6
|
分辨率 1.60 Å R-free 0.178 |
| 2VWF Grb2 SH3C (2) 提交 2008-06-24 | 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 A
159–214（56 aa）
片段：SH3 DOMAIN, RESIDUES 159-214
|
突变：YES | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7；2M TRI-AMMONIUM CITRATE, 0.1M BIS-TRIS PROPANE PH7, pH 7.0
|
分辨率 1.58 Å R-free 0.219 |
| 2W0Z Grb2 SH3C (3) 提交 2008-10-13 | 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
159–214（56 aa）
片段：SH3 DOMAIN, RESIDUES 159-214
|
突变：YES | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.5；0.7 M TRISODIUM CITRATE, 0.1 M TRIS PH 8.5
|
分辨率 1.70 Å R-free 0.206 |
| 3C7I X-RAY crystal structure of the complex between the grb2-sh2 domain and a flexible ligand, FPTVN. 提交 2008-02-07 | 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
53–162（110 aa）
|
未记录 | TVN N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide × 2 FMT FORMIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；LIGAND (FPTVN) was added in a 1.5 molar excess to 15 MG/ML GRB2-SH2 in pure water.
This solution was mixed with an equal volume of 4.0 m sodium formate., pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 293KK
|
分辨率 1.70 Å R-free 0.234 |
| 3IMD Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
53–163（111 aa）
片段：SH2 domain
|
未记录 | FYQ N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide × 1 CL CHLORIDE ION × 3 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyphilized powder form was dissolved in a 9.1 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 3 uL of this solution was mixed with 4 uL of 0.2 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.237 |
| 3IMD Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
53–163（111 aa）
片段：SH2 domain
|
未记录 | FYQ N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyphilized powder form was dissolved in a 9.1 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 3 uL of this solution was mixed with 4 uL of 0.2 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.237 |
| 3IMD Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-10 | Assembly 3 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
53–163（111 aa）
片段：SH2 domain
链 B
53–163（111 aa）
片段：SH2 domain
|
未记录 | FYQ N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyphilized powder form was dissolved in a 9.1 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 3 uL of this solution was mixed with 4 uL of 0.2 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.237 |
| 3IMJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic 提交 2009-08-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
53–163（111 aa）
片段：SH2 domain
|
未记录 | AYI (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；Ligand in lyophilized powder form was dissolved in a 11.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4 uL of this solution was mixed with 3 uL of 0.2 M ammonium acetate, 0.1 M sodium acetate, 30% v/v PEG MW4000, pH 4.6 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.02 Å R-free 0.229 |
| 3IMJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic 提交 2009-08-10 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
53–163（111 aa）
片段：SH2 domain
|
未记录 | AYI (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；Ligand in lyophilized powder form was dissolved in a 11.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4 uL of this solution was mixed with 3 uL of 0.2 M ammonium acetate, 0.1 M sodium acetate, 30% v/v PEG MW4000, pH 4.6 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.02 Å R-free 0.229 |
| 3IMJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic 提交 2009-08-10 | Assembly 3 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
53–163（111 aa）
片段：SH2 domain
链 B
53–163（111 aa）
片段：SH2 domain
|
未记录 | AYI (1R,2S,3R,1S',1S")Phosphoric acid mono(4-{2-[1-(1,2-dicarbamoylethylcarbamoyl)-3-carbamoylpropylcarbamoyl]-3-methylcarbamoylcyclopropyl}phenyl) ester × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；Ligand in lyophilized powder form was dissolved in a 11.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4 uL of this solution was mixed with 3 uL of 0.2 M ammonium acetate, 0.1 M sodium acetate, 30% v/v PEG MW4000, pH 4.6 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.02 Å R-free 0.229 |
| 3IN7 Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
53–163（111 aa）
片段：SH2 domain
|
未记录 | AYQ N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.6 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1.7:1. 3.5 uL of this solution was mixed with 3.5 uL of 0.1 M HEPES, 20% w/v PEG MW10,000, pH 7.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after two weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.250 |
| 3IN7 Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-11 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
53–163（111 aa）
片段：SH2 domain
|
未记录 | AYQ N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.6 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1.7:1. 3.5 uL of this solution was mixed with 3.5 uL of 0.1 M HEPES, 20% w/v PEG MW10,000, pH 7.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after two weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.250 |
| 3IN7 Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained Ac-pY-Q-N-NH2 Tripeptide Mimic 提交 2009-08-11 | Assembly 3 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
53–163（111 aa）
片段：SH2 domain
链 C
53–163（111 aa）
片段：SH2 domain
|
未记录 | AYQ N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.6 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1.7:1. 3.5 uL of this solution was mixed with 3.5 uL of 0.1 M HEPES, 20% w/v PEG MW10,000, pH 7.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after two weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.250 |
| 3IN8 Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pTyr-Ile-Asn-NH2 Tripeptide Mimic 提交 2009-08-11 | 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
53–163（111 aa）
片段：SH2 domain
|
未记录 | FYI N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide × 2 FMT FORMIC ACID × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Ligand in lyophilized powder form was dissolved in a 15.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1. 3.5 uL of this solution was mixed with 3.5 uL of 5.0 M sodium formate, pH 7.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after six weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.70 Å R-free 0.211 |
| 3KFJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-E-N-NH2 Tripeptide Mimic 提交 2009-10-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
53–163（111 aa）
片段：SH2 domain, residues 53-163
|
未记录 | YEN N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-alpha-glutamyl-L-aspartamide × 1 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyophilized powder form was dissolved in a 9.5 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4uL of this solution was mixed with 3uL of 0.1 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.02 Å R-free 0.230 |
| 3KFJ Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-E-N-NH2 Tripeptide Mimic 提交 2009-10-27 | 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 A
53–163（111 aa）
片段：SH2 domain, residues 53-163
|
未记录 | YEN N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-alpha-glutamyl-L-aspartamide × 2 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyophilized powder form was dissolved in a 9.5 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 2:1. 4uL of this solution was mixed with 3uL of 0.1 M MgCl2 x 6H2O, 30% w/v PEG MW4000, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex in the presence of the above-mentioned solution after four weeks at room temperature., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.02 Å R-free 0.230 |
| 3MXC Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications. 提交 2010-05-07 | 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
55–152（98 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
293 K；0.1 M Tris ,0.1M Bicine, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.00 Å R-free 0.244 |
| 3MXY Structures of Grb2-SH2 Domain and AICD peptide Complexes Reveal a Conformational Switch and Their Functional Implications. 提交 2010-05-08 | 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 A
55–152（98 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；293 K；0.1 M Tris ,0.1M Bicine, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.30 Å R-free 0.252 |
| 3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27 | 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
55–152（98 aa）
片段：SH2 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 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK
|
分辨率 2.02 Å R-free 0.222 |
| 3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27 | 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 A
55–152（98 aa）
片段：SH2 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 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK
|
分辨率 2.02 Å R-free 0.222 |
| 3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27 | Assembly 3 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
55–152（98 aa）
片段：SH2 domain
链 C
55–152（98 aa）
片段：SH2 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 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK
|
分辨率 2.02 Å R-free 0.222 |
| 3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27 | 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 B
55–152（98 aa）
片段：SH2 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 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK
|
分辨率 2.02 Å R-free 0.222 |
| 3N7Y Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV 提交 2010-05-27 | 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 C
55–152（98 aa）
片段：SH2 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 5.6；298 K；Ligand in lyohpilized power form was dissolved in a 10.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:2. 3.5 uL of this solution was mixed with 3.5 uL of 20% v/v isopropanol, 20% w/v polyethylene glycol MW 4,000, 0.1 M sodium citrate dihydrate, pH 5.6 to create the hanging drop, which yielded crystals of the protein-ligand complex after two weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298KK
|
分辨率 2.02 Å R-free 0.222 |
| 3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27 | 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
52–162（111 aa）
片段：SH2 domain
链 E
52–162（111 aa）
片段：SH2 domain
|
未记录 | CL CHLORIDE ION × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.223 |
| 3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27 | 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 A
52–162（111 aa）
片段：SH2 domain
|
未记录 | CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.223 |
| 3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27 | Assembly 3 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
52–162（111 aa）
片段：SH2 domain
链 D
52–162（111 aa）
片段：SH2 domain
|
未记录 | GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.223 |
| 3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27 | 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 B
52–162（111 aa）
片段：SH2 domain
|
未记录 | GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.223 |
| 3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27 | Assembly 5 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 C
52–162（111 aa）
片段：SH2 domain
链 F
52–162（111 aa）
片段：SH2 domain
|
未记录 | GOL GLYCEROL × 3 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.223 |
| 3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27 | 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 C
52–162（111 aa）
片段：SH2 domain
|
未记录 | MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.223 |
| 3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27 | 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 D
52–162（111 aa）
片段：SH2 domain
|
未记录 | GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.223 |
| 3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27 | 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 E
52–162（111 aa）
片段：SH2 domain
|
未记录 | GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.223 |
| 3N84 Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP 提交 2010-05-27 | Assembly 9 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
52–162（111 aa）
片段：SH2 domain
|
未记录 | GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyoophilized powder form was dissolved in a 8.0 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 30% w/v polyethylene glycol MW 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded usable crystals after 8 weeks., VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.223 |
| 3N8M Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the Sequence pYVNVP 提交 2010-05-28 | 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
53–163（111 aa）
片段：Grb2 SH2 domain, residues 55-153
|
未记录 | GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 12% v/v glycerol, 1.5 M ammonium sulfate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex after 8 weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.224 |
| 3N8M Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the Sequence pYVNVP 提交 2010-05-28 | Assembly 2 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
53–163（111 aa）
片段：Grb2 SH2 domain, residues 55-153
|
未记录 | GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Ligand in lyophilized powder form was dissolved in a 7.2 mg/mL solution of Grb2 SH2 in water such to give a protein/ligand molar ratio of 1:1.7. 4 uL of this solution was mixed with 3 uL of 12% v/v glycerol, 1.5 M ammonium sulfate, 0.1 M TRIS, pH 8.5 to create the hanging drop, which yielded crystals of the protein-ligand complex after 8 weeks, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 2.00 Å R-free 0.224 |
| 3OV1 Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2010-09-15 | 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 A
53–163（111 aa）
片段：unp residues 53-163
|
未记录 | GOL GLYCEROL × 2 FMT FORMIC ACID × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 20% w/v Polyethylene Glycol 10,000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.60 Å R-free 0.214 |
| 3OV1 Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2010-09-15 | Assembly 2 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
53–163（111 aa）
片段：unp residues 53-163
|
未记录 | GOL GLYCEROL × 4 FMT FORMIC ACID × 2 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 20% w/v Polyethylene Glycol 10,000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.60 Å R-free 0.214 |
| 3OVE Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2010-09-16 | 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
53–163（111 aa）
片段：unp residues 53-163
|
未记录 | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.2 M magnesium chloride hexahydrate, 0.1 M TRIS,30% w/v polyethylene glycol 4,000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.82 Å R-free 0.260 |
| 3OVE Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2010-09-16 | Assembly 2 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
53–163（111 aa）
片段：unp residues 53-163
|
未记录 | CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.2 M magnesium chloride hexahydrate, 0.1 M TRIS,30% w/v polyethylene glycol 4,000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.82 Å R-free 0.260 |
| 3S8L Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area 提交 2011-05-29 | 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 A
53–163（111 aa）
片段：unp residues 53-163
|
未记录 | CL CHLORIDE ION × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 3.5 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.71 Å R-free 0.256 |
| 3S8N Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2011-05-29 | 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 A
53–163（111 aa）
片段：unp residues 53-163
|
未记录 | GOL GLYCEROL × 3 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 4.3 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.71 Å R-free 0.244 |
| 3S8N Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2011-05-29 | Assembly 2 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
53–163（111 aa）
片段：unp residues 53-163
|
未记录 | GOL GLYCEROL × 6 CL CHLORIDE ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 4.3 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.71 Å R-free 0.244 |
| 3S8O Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide 提交 2011-05-29 | 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 A
53–163（111 aa）
片段：unp residues 53-163
|
未记录 | NA SODIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES, 5.0 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.85 Å R-free 0.201 |
| 3WA4 Grb2 SH2 domain/CD28-derived peptide complex 提交 2013-04-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
60–152（93 aa）
片段：SH2 domain, UNP resideus 57-152
|
未记录 | CD CADMIUM ION × 1 ACY ACETIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M HEPES, 1.25M sodium acetate, 0.1M cadmium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.35 Å R-free 0.209 |
| 3WA4 Grb2 SH2 domain/CD28-derived peptide complex 提交 2013-04-23 | 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 A
60–152（93 aa）
片段：SH2 domain, UNP resideus 57-152
|
未记录 | CD CADMIUM ION × 1 ACY ACETIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M HEPES, 1.25M sodium acetate, 0.1M cadmium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 1.35 Å R-free 0.209 |
| 4P9V Grb2 SH2 complexed with a pTyr-Ac6cN-Asn tripeptide 提交 2014-04-06 | 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
53–163（111 aa）
片段：UNP residues 53-163
|
未记录 | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.2 M magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride, 30% w/v polyethylene glycol 4000
|
分辨率 1.64 Å R-free 0.257 |
| 4P9Z Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide 提交 2014-04-06 | 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
53–163（111 aa）
|
未记录 | GOL GLYCEROL × 1 ACT ACETATE ION × 2 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.2 M sodium acetate trihydrate, 0.1 M TRIS hydrochloride, 30% w/v polyethylene glycol 4000
|
分辨率 1.80 Å R-free 0.239 |
| 4P9Z Grb2 SH2 complexed with a pTyr-Ac6c-Asn tripeptide 提交 2014-04-06 | Assembly 2 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
53–163（111 aa）
|
未记录 | GOL GLYCEROL × 2 ACT ACETATE ION × 4 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.2 M sodium acetate trihydrate, 0.1 M TRIS hydrochloride, 30% w/v polyethylene glycol 4000
|
分辨率 1.80 Å R-free 0.239 |
| 5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05 | 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 A
54–153（100 aa）
链 E
54–153（100 aa）
|
突变：W121G 突变：W121G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000
|
分辨率 2.60 Å R-free 0.294 |
| 5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05 | Assembly 2 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
54–153（100 aa）
链 C
54–153（100 aa）
|
突变：W121G 突变：W121G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000
|
分辨率 2.60 Å R-free 0.294 |
| 5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05 | Assembly 3 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 G
54–153（100 aa）
链 H
54–153（100 aa）
|
突变：W121G 突变：W121G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000
|
分辨率 2.60 Å R-free 0.294 |
| 5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05 | Assembly 4 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 K
54–153（100 aa）
链 L
54–153（100 aa）
|
突变：W121G 突变：W121G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000
|
分辨率 2.60 Å R-free 0.294 |
| 5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05 | Assembly 5 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 O
54–153（100 aa）
链 P
54–153（100 aa）
|
突变：W121G 突变：W121G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000
|
分辨率 2.60 Å R-free 0.294 |
| 5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05 | Assembly 6 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 U
54–153（100 aa）
链 V
54–153（100 aa）
|
突变：W121G 突变：W121G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000
|
分辨率 2.60 Å R-free 0.294 |
| 5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05 | Assembly 7 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 Y
54–153（100 aa）
链 Z
54–153（100 aa）
|
突变：W121G 突变：W121G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000
|
分辨率 2.60 Å R-free 0.294 |
| 5CDW Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide 提交 2015-07-05 | Assembly 8 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 c
54–153（100 aa）
链 d
54–153（100 aa）
|
突变：W121G 突变：W121G | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.335M Potassium thiocyanate, 31% (w/v) PEG 8000
|
分辨率 2.60 Å R-free 0.294 |
| 6ICG Grb2 SH2 domain in phosphopeptide free form 提交 2018-09-06 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
60–152（93 aa）
|
未记录 | SO4 SULFATE ION × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Sodium chloride, 0.1 M HEPES (pH 7.5), 1.6 M Ammonium sulfate
|
分辨率 1.15 Å R-free 0.169 |
| 6ICG Grb2 SH2 domain in phosphopeptide free form 提交 2018-09-06 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
60–152（93 aa）
|
未记录 | SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Sodium chloride, 0.1 M HEPES (pH 7.5), 1.6 M Ammonium sulfate
|
分辨率 1.15 Å R-free 0.169 |
| 6ICH Grb2 SH2 domain in domain swapped dimer form 提交 2018-09-06 | 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
60–152（93 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M MES monohydrate (pH 6.5), 12% PEG 20,000
|
分辨率 2.00 Å R-free 0.242 |
| 6SDF N-terminal SH3 domain of Grb2 protein 提交 2019-07-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
2–59（58 aa）
|
未记录 | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 5 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M Hepes, 55% (v/v) MPD
|
分辨率 2.50 Å R-free 0.210 |
| 6SDF N-terminal SH3 domain of Grb2 protein 提交 2019-07-26 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
2–59（58 aa）
|
未记录 | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M Hepes, 55% (v/v) MPD
|
分辨率 2.50 Å R-free 0.210 |
| 6VK2 NMR solution structure of Grb2-SH2 domain at pH 7 提交 2020-01-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
55–150（96 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）138.2；压力 1
NMR样品组成
200 mM sodium chloride, 20 mM sodium phosphate, 1 mM EDTA, 1 mM PMSF, 5 mM sodium azide, 300 uM [U-100% 13C; U-100% 15N] Grb2-SH2, 90% H2O/10% D2O | 90% H2O/10% D2O
|
分辨率未提供 |
| 6WM1 Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl 提交 2020-04-20 | 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
53–163（111 aa）
片段：SH2 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 7.5；298 K；An aqueous solution containing a 1.5 molar ratio of ligand to protein, 10 mg/mL, was prepared. 4.0 ul of this solution was mixed with 3.0 ul precipitant solution containing 0.1 M HEPES, pH 7.5, and 25% w/v polyethylene glycol, MW 10,000, and allowed to equilibrate with 350 ul of the aforementioned precipitant well solution at 298 K. Useable crystals grew after 4 weeks
|
分辨率 1.80 Å R-free 0.245 |
| 6WM1 Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl 提交 2020-04-20 | 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
53–163（111 aa）
片段：SH2 Domain
|
未记录 | GOL GLYCEROL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；An aqueous solution containing a 1.5 molar ratio of ligand to protein, 10 mg/mL, was prepared. 4.0 ul of this solution was mixed with 3.0 ul precipitant solution containing 0.1 M HEPES, pH 7.5, and 25% w/v polyethylene glycol, MW 10,000, and allowed to equilibrate with 350 ul of the aforementioned precipitant well solution at 298 K. Useable crystals grew after 4 weeks
|
分辨率 1.80 Å R-free 0.245 |
| 6WO2 Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl 提交 2020-04-24 | 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
53–163（111 aa）
片段：SH2 Domain
|
未记录 | CA CALCIUM ION × 1 IPA ISOPROPYL ALCOHOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；An aqueous solution containing a 1.5 molar ratio of ligand to protein, ca. 10 mg/mL, was prepared. 4.0 ul of this solution was mixed with 3.0 ul of a precipitant solution containing 0.2 M sodium citrate tribasic dihydrate, 0.1 M HEPES, and 20% v/v 2-propanol (Hampton crystal screen I, condition no. 27), and allowed to equilibrate with 350 ul of the aforementioned precipitant well solution. Usable crystals grew after 4 weeks
|
分辨率 2.00 Å R-free 0.275 |
| 6WO2 Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl 提交 2020-04-24 | 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
53–163（111 aa）
片段：SH2 Domain
|
未记录 | IPA ISOPROPYL ALCOHOL × 1 NA SODIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；An aqueous solution containing a 1.5 molar ratio of ligand to protein, ca. 10 mg/mL, was prepared. 4.0 ul of this solution was mixed with 3.0 ul of a precipitant solution containing 0.2 M sodium citrate tribasic dihydrate, 0.1 M HEPES, and 20% v/v 2-propanol (Hampton crystal screen I, condition no. 27), and allowed to equilibrate with 350 ul of the aforementioned precipitant well solution. Usable crystals grew after 4 weeks
|
分辨率 2.00 Å R-free 0.275 |
| 7MPH GRB2 SH2 Domain with Compound 7 提交 2021-05-04 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
59–152（94 aa）
链 E
59–152（94 aa）
链 F
59–152（94 aa）
|
未记录 | ZLY (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid × 3 EDO 1,2-ETHANEDIOL × 7 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；12.4mg/mL GRB2 SH2 domain, 0.1mM Bis-Tris pH 5.5, 2M Ammonium Sulphate
|
分辨率 2.00 Å R-free 0.277 |
| 7MPH GRB2 SH2 Domain with Compound 7 提交 2021-05-04 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 B
59–152（94 aa）
链 C
59–152（94 aa）
链 D
59–152（94 aa）
|
未记录 | ZLY (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid × 3 EDO 1,2-ETHANEDIOL × 6 SO4 SULFATE ION × 8 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；12.4mg/mL GRB2 SH2 domain, 0.1mM Bis-Tris pH 5.5, 2M Ammonium Sulphate
|
分辨率 2.00 Å R-free 0.277 |
| 9I3P CryoEM structure of the Themis:Grb2 complex with bound ProMacrobody 256 提交 2025-01-23 | 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 A
1–217（217 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8；25 mM Tris pH8, 100 mM NaCl, 2 mM DTT with added 8 mM CHAPSO for cryogrid sample preparation
cryo-EM玻璃化条件
冷冻剂 ETHANE；Leica EM GP2, 5 s blotting time
|
分辨率 3.30 Å |
| 9IAZ CryoEM structure of the Themis:Grb2 complex with bound ProMacrobody 256, local refinement 提交 2025-02-11 | 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
1–217（217 aa）
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8；25 mM Tris pH8, 100 mM NaCl, 2 mM DTT with added 8 mM CHAPSO for cryogrid sample preparation
cryo-EM玻璃化条件
冷冻剂 ETHANE；Leica EM GP2, 5 s blotting time
|
分辨率 3.20 Å |
| 9UOU Crystal structure of the fusion protein of T-lineage protein Themis and adaptor protein Grb2 提交 2025-04-26 | Assembly 1 信息不足 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
158–214（57 aa）
链 B
158–214（57 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；289.15 K；0.1 M Tris-HCl pH 8.5, 2% (v/v) Tacsimate pH 8.0, 16% (w/v) polyethylene glycol 3350
|
分辨率 3.06 Å R-free 0.302 |