当前蛋白身份：P05121
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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 |
|---|---|---|---|---|---|---|---|
| 1A7C HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE 提交 1998-03-12 | 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
24–402（379 aa）
|
突变：A335E | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 4.6；pH 4.6
|
分辨率 1.95 Å R-free 0.210 |
| 1B3K Plasminogen activator inhibitor-1 提交 1998-12-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；CRYSTALS WERE PRODUCED BY THE HANGING DROP METHOD EQUILIBRATING PURIFIED PROTEIN AT 5MG/ML IN 10 MM NA CACODYLATE, PH 6.8, O.25 M NACL, 1 MM EDTA AGAINST 27-32% SATURATED AMMONIUM SULPHATE, 0.25 M NA CL AND 10 MM CACODYLATE PH 6.8 AT ROOM TEMPERATURE, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.99 Å R-free 0.292 |
| 1B3K Plasminogen activator inhibitor-1 提交 1998-12-11 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；CRYSTALS WERE PRODUCED BY THE HANGING DROP METHOD EQUILIBRATING PURIFIED PROTEIN AT 5MG/ML IN 10 MM NA CACODYLATE, PH 6.8, O.25 M NACL, 1 MM EDTA AGAINST 27-32% SATURATED AMMONIUM SULPHATE, 0.25 M NA CL AND 10 MM CACODYLATE PH 6.8 AT ROOM TEMPERATURE, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.99 Å R-free 0.292 |
| 1B3K Plasminogen activator inhibitor-1 提交 1998-12-11 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；CRYSTALS WERE PRODUCED BY THE HANGING DROP METHOD EQUILIBRATING PURIFIED PROTEIN AT 5MG/ML IN 10 MM NA CACODYLATE, PH 6.8, O.25 M NACL, 1 MM EDTA AGAINST 27-32% SATURATED AMMONIUM SULPHATE, 0.25 M NA CL AND 10 MM CACODYLATE PH 6.8 AT ROOM TEMPERATURE, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.99 Å R-free 0.292 |
| 1B3K Plasminogen activator inhibitor-1 提交 1998-12-11 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.8；293 K；CRYSTALS WERE PRODUCED BY THE HANGING DROP METHOD EQUILIBRATING PURIFIED PROTEIN AT 5MG/ML IN 10 MM NA CACODYLATE, PH 6.8, O.25 M NACL, 1 MM EDTA AGAINST 27-32% SATURATED AMMONIUM SULPHATE, 0.25 M NA CL AND 10 MM CACODYLATE PH 6.8 AT ROOM TEMPERATURE, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.99 Å R-free 0.292 |
| 1C5G PLASMINOGEN ACTIVATOR INHIBITOR-1 提交 1999-12-07 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–402（402 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 2.60 Å |
| 1DB2 CRYSTAL STRUCTURE OF NATIVE PLASMINOGEN ACTIVATOR INHIBITOR-1 提交 1999-11-02 | 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
26–402（377 aa）
链 B
26–402（377 aa）
|
突变：N150H, K154T, Q301P, Q319L, M354I 突变：N150H, K154T, Q301P, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.6；277 K；sodium chloride, sodium/potassium phosphate, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
分辨率 2.70 Å R-free 0.299 |
| 1DVM ACTIVE FORM OF HUMAN PAI-1 提交 2000-01-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；NaCl, MES, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293.K
|
分辨率 2.40 Å R-free 0.292 |
| 1DVM ACTIVE FORM OF HUMAN PAI-1 提交 2000-01-21 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；NaCl, MES, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293.K
|
分辨率 2.40 Å R-free 0.292 |
| 1DVM ACTIVE FORM OF HUMAN PAI-1 提交 2000-01-21 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；NaCl, MES, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293.K
|
分辨率 2.40 Å R-free 0.292 |
| 1DVM ACTIVE FORM OF HUMAN PAI-1 提交 2000-01-21 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；NaCl, MES, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293.K
|
分辨率 2.40 Å R-free 0.292 |
| 1DVN LATENT FORM OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) 提交 2000-01-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.9；293 K；PEG1000, MPD, MgSO4, Tris, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.10 Å R-free 0.289 |
| 1LJ5 1.8A Resolution Structure of Latent Plasminogen Activator Inhibitor-1(PAI-1) 提交 2002-04-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
|
未记录 | DMS DIMETHYL SULFOXIDE × 4 ACY ACETIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG 4000, sodium acetate trihydrate, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
分辨率 1.80 Å R-free 0.241 |
| 1OC0 plasminogen activator inhibitor-1 complex with somatomedin B domain of vitronectin 提交 2003-02-03 | 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 A
24–402（379 aa）
|
突变：YES | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 7.4；10MM NAOAC, 50MM NACL, 2-9% PEG12000,25% PEG400, 50MM HEPES, PH 7.4
|
分辨率 2.28 Å R-free 0.252 |
| 3CVM High resolution structure of a stable Plasminogen activator inhibitor type-1 in its protease cleaved form 提交 2008-04-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
21–402（382 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M Tris, 4.5M Ammonium Acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.02 Å R-free 0.282 |
| 3CVM High resolution structure of a stable Plasminogen activator inhibitor type-1 in its protease cleaved form 提交 2008-04-18 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
21–402（382 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1M Tris, 4.5M Ammonium Acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.02 Å R-free 0.282 |
| 3EOX High quality structure of cleaved PAI-1-stab 提交 2008-09-29 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
片段：PAI-1
|
突变：N150H, K154T, Q301P, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.5M lithium sulphate monohydrate, 15% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
分辨率 2.61 Å R-free 0.256 |
| 3PB1 Crystal Structure of a Michaelis Complex between Plasminogen Activator Inhibitor-1 and Urokinase-type Plasminogen Activator 提交 2010-10-20 | 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 I
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；1.4M ammonium sulfate, 0.1M Tris-HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.30 Å R-free 0.272 |
| 3Q02 Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation. 提交 2010-12-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
|
突变：W175F | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1.7 - 3.0 M NaCl, 5 mM Mes pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.30 Å R-free 0.238 |
| 3Q02 Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation. 提交 2010-12-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–402（379 aa）
|
突变：W175F | CL CHLORIDE ION × 1 ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1.7 - 3.0 M NaCl, 5 mM Mes pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.30 Å R-free 0.238 |
| 3Q02 Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation. 提交 2010-12-15 | 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
24–402（379 aa）
链 B
24–402（379 aa）
|
突变：W175F 突变：W175F | CL CHLORIDE ION × 2 ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1.7 - 3.0 M NaCl, 5 mM Mes pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.30 Å R-free 0.238 |
| 3Q03 Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation. 提交 2010-12-15 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
|
突变：W175F | ZN ZINC ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1.7 - 3.0 M NaCl, 5 mM Mes pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.64 Å R-free 0.225 |
| 3Q03 Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation. 提交 2010-12-15 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–402（379 aa）
|
突变：W175F | ZN ZINC ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1.7 - 3.0 M NaCl, 5 mM Mes pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.64 Å R-free 0.225 |
| 3Q03 Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation. 提交 2010-12-15 | 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
24–402（379 aa）
链 B
24–402（379 aa）
|
突变：W175F 突变：W175F | ZN ZINC ION × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；1.7 - 3.0 M NaCl, 5 mM Mes pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
分辨率 2.64 Å R-free 0.225 |
| 3R4L Human very long half life Plasminogen Activator Inhibitor type-1 提交 2011-03-17 | Assembly 1 其他组合 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
片段：UNP Residues 24-402
|
突变：Q197C, G355C | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；0.025M NACL, 27% TERT-BUTANOL, 0.050M TRIS-HCL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
分辨率 2.70 Å R-free 0.282 |
| 3UT3 A novel PAI-I inhibitor and its structural mechanism 提交 2011-11-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
28–402（375 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 6.1；293 K；ammonium sulfate, pH 6.1, vapor diffusion, temperature 293K
|
分辨率 2.42 Å R-free 0.245 |
| 3UT3 A novel PAI-I inhibitor and its structural mechanism 提交 2011-11-25 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
28–402（375 aa）
|
突变：N150H, K154T, Q319L, M354I | EMJ 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 6.1；293 K；ammonium sulfate, pH 6.1, vapor diffusion, temperature 293K
|
分辨率 2.42 Å R-free 0.245 |
| 3UT3 A novel PAI-I inhibitor and its structural mechanism 提交 2011-11-25 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
28–402（375 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 6.1；293 K；ammonium sulfate, pH 6.1, vapor diffusion, temperature 293K
|
分辨率 2.42 Å R-free 0.245 |
| 3UT3 A novel PAI-I inhibitor and its structural mechanism 提交 2011-11-25 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
28–402（375 aa）
|
突变：N150H, K154T, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；pH 6.1；293 K；ammonium sulfate, pH 6.1, vapor diffusion, temperature 293K
|
分辨率 2.42 Å R-free 0.245 |
| 4AQH Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976 提交 2012-04-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
|
未记录 | TB7 TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.6；PAI-1 WAS CONCENTRATED TO ABOUT 4 G/L IN A BUFFER CONTAINING 10 MM SODIUM ACETATE PH 5.6, 150 MM SODIUM CHLORIDE AND 1 MM EDTA. AZ3976 WAS DISSOLVED IN DEUTERATED DMSO AND ADDED TO THE PROTEIN SAMPLE TO A FINAL CONCENTRATION OF 0.3 MM. CRYSTALS WERE OBTAINED BY THE HANGING DROP VAPOR DIFFUSION TECHNIQUE: 2.5 UL PROTEIN SAMPLE WAS MIXED WITH 1 UL OF A WELL SOLUTION CONTAINING 2.0 M SODIUM CHLORIDE, 100 MM BIS-TRIS PH 6.8
|
分辨率 2.40 Å R-free 0.181 |
| 4AQH Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976 提交 2012-04-17 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–402（379 aa）
|
未记录 | TB7 TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.6；PAI-1 WAS CONCENTRATED TO ABOUT 4 G/L IN A BUFFER CONTAINING 10 MM SODIUM ACETATE PH 5.6, 150 MM SODIUM CHLORIDE AND 1 MM EDTA. AZ3976 WAS DISSOLVED IN DEUTERATED DMSO AND ADDED TO THE PROTEIN SAMPLE TO A FINAL CONCENTRATION OF 0.3 MM. CRYSTALS WERE OBTAINED BY THE HANGING DROP VAPOR DIFFUSION TECHNIQUE: 2.5 UL PROTEIN SAMPLE WAS MIXED WITH 1 UL OF A WELL SOLUTION CONTAINING 2.0 M SODIUM CHLORIDE, 100 MM BIS-TRIS PH 6.8
|
分辨率 2.40 Å R-free 0.181 |
| 4AQH Plasminogen activator inhibitor type-1 in complex with the inhibitor AZ3976 提交 2012-04-17 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
24–402（379 aa）
|
未记录 | TB7 TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.6；PAI-1 WAS CONCENTRATED TO ABOUT 4 G/L IN A BUFFER CONTAINING 10 MM SODIUM ACETATE PH 5.6, 150 MM SODIUM CHLORIDE AND 1 MM EDTA. AZ3976 WAS DISSOLVED IN DEUTERATED DMSO AND ADDED TO THE PROTEIN SAMPLE TO A FINAL CONCENTRATION OF 0.3 MM. CRYSTALS WERE OBTAINED BY THE HANGING DROP VAPOR DIFFUSION TECHNIQUE: 2.5 UL PROTEIN SAMPLE WAS MIXED WITH 1 UL OF A WELL SOLUTION CONTAINING 2.0 M SODIUM CHLORIDE, 100 MM BIS-TRIS PH 6.8
|
分辨率 2.40 Å R-free 0.181 |
| 4G8O Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1 提交 2012-07-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
28–402（375 aa）
片段：UNP residues 28-402
|
未记录 | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
298 K；0.99 - 1.54 M ammonium sulfate, 200 mM NaCl and 100 mM Na Cacodylate pH 6.5 - 6.8., VAPOR DIFFUSION, temperature 298.0K
|
分辨率 2.71 Å R-free 0.268 |
| 4G8O Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1 提交 2012-07-23 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
28–402（375 aa）
片段：UNP residues 28-402
|
未记录 | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
298 K；0.99 - 1.54 M ammonium sulfate, 200 mM NaCl and 100 mM Na Cacodylate pH 6.5 - 6.8., VAPOR DIFFUSION, temperature 298.0K
|
分辨率 2.71 Å R-free 0.268 |
| 4G8O Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1 提交 2012-07-23 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
28–402（375 aa）
片段：UNP residues 28-402
|
未记录 | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
298 K；0.99 - 1.54 M ammonium sulfate, 200 mM NaCl and 100 mM Na Cacodylate pH 6.5 - 6.8., VAPOR DIFFUSION, temperature 298.0K
|
分辨率 2.71 Å R-free 0.268 |
| 4G8O Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1 提交 2012-07-23 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
28–402（375 aa）
片段：UNP residues 28-402
|
未记录 | SO4 SULFATE ION × 2 96P (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
298 K；0.99 - 1.54 M ammonium sulfate, 200 mM NaCl and 100 mM Na Cacodylate pH 6.5 - 6.8., VAPOR DIFFUSION, temperature 298.0K
|
分辨率 2.71 Å R-free 0.268 |
| 4G8R Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1 提交 2012-07-23 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
28–402（375 aa）
片段：UNP residues 28-402
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；298 K；0.99 - 1.54 M ammonium sulfate, 200 mM NaCl and 100 mM Na Cacodylate pH 6.5 - 6.8., VAPOR DIFFUSION, temperature 298.0K
|
分辨率 2.19 Å R-free 0.215 |
| 4G8R Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1 提交 2012-07-23 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
28–402（375 aa）
片段：UNP residues 28-402
|
未记录 | SO4 SULFATE ION × 1 96P (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION；298 K；0.99 - 1.54 M ammonium sulfate, 200 mM NaCl and 100 mM Na Cacodylate pH 6.5 - 6.8., VAPOR DIFFUSION, temperature 298.0K
|
分辨率 2.19 Å R-free 0.215 |
| 4IC0 Crystal Structure of PAI-1 in Complex with Gallate 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
24–402（379 aa）
|
突变：N150H, K154T, D158Q, Q319L, M354I | GDE 3,4,5-trihydroxybenzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.1；293 K；ammonium sulfate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.32 Å R-free 0.258 |
| 4IC0 Crystal Structure of PAI-1 in Complex with Gallate 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
24–402（379 aa）
|
突变：N150H, K154T, D158Q, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.1；293 K；ammonium sulfate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.32 Å R-free 0.258 |
| 4IC0 Crystal Structure of PAI-1 in Complex with Gallate 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
24–402（379 aa）
|
突变：N150H, K154T, D158Q, Q319L, M354I | GDE 3,4,5-trihydroxybenzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.1；293 K；ammonium sulfate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.32 Å R-free 0.258 |
| 4IC0 Crystal Structure of PAI-1 in Complex with Gallate 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
24–402（379 aa）
|
突变：N150H, K154T, D158Q, Q319L, M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.1；293 K；ammonium sulfate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
分辨率 2.32 Å R-free 0.258 |
| 5BRR Michaelis complex of tPA-S195A:PAI-1 提交 2015-06-01 | 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 I
24–402（379 aa）
|
突变：N150H, K154T, Q319L, M354I | GOL GLYCEROL × 4 PGE TRIETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.4；298.15 K；8% PEG 6000, 0.1 M Tris-HCl
|
分辨率 3.16 Å R-free 0.276 |
| 5ZLZ Structure of tPA and PAI-1 提交 2018-03-31 | 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 I
29–402（374 aa）
|
突变：N173H, K177T, Q342L, M377I | GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；4-8% PEG 3350, 20 mM bis-Tris-HCl pH 7.0
|
分辨率 3.58 Å R-free 0.312 |
| 6GWN Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) in Complex with Two Inhibitory Nanobodies (VHH-2g-42, VHH-2w-64) 提交 2018-06-25 | 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
24–402（379 aa）
|
突变：W175F | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；0.1 M Bis-Tris, 10 % w/v PEG 3350
|
分辨率 2.03 Å R-free 0.250 |
| 6GWP Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with Two Inhibitory Nanobodies (VHH-2g-42, VHH-2w-64) 提交 2018-06-25 | 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
24–402（379 aa）
|
突变：N150H-K154T-Q301P-Q319L-M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Bis-Tris, 17 % w/v PEG 3350, 3 % v/v methanol
|
分辨率 2.28 Å R-free 0.225 |
| 6GWQ Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with an Inhibitory Nanobody (VHH-2g-42) 提交 2018-06-25 | 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
24–402（379 aa）
|
突变：N150H-K154T-Q301P-Q319L-M354I | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；1 M succinic acid, 0.1 M HEPES, 1 % w/v PEG 2000
|
分辨率 2.32 Å R-free 0.230 |
| 6I8S Discovery and characterisation of an antibody that selectively modulates the inhibitory activity of plasminogen activator inhibitor-1 提交 2018-11-21 | 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
24–402（379 aa）
|
突变：YES [N150H, K154T, Q319L, M354I,] | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；15 MM AMMONIUM ACETATE PH 7.4,
8-10 % PEG 8000, 0.2 M LICL AND 20 % ETHYLENE GLYCOL
|
分辨率 2.90 Å R-free 0.243 |
| 6I8S Discovery and characterisation of an antibody that selectively modulates the inhibitory activity of plasminogen activator inhibitor-1 提交 2018-11-21 | 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
24–402（379 aa）
|
突变：YES [N150H, K154T, Q319L, M354I,] | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；15 MM AMMONIUM ACETATE PH 7.4,
8-10 % PEG 8000, 0.2 M LICL AND 20 % ETHYLENE GLYCOL
|
分辨率 2.90 Å R-free 0.243 |
| 6I8S Discovery and characterisation of an antibody that selectively modulates the inhibitory activity of plasminogen activator inhibitor-1 提交 2018-11-21 | Assembly 3 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 C
24–402（379 aa）
|
突变：YES [N150H, K154T, Q319L, M354I,] | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；15 MM AMMONIUM ACETATE PH 7.4,
8-10 % PEG 8000, 0.2 M LICL AND 20 % ETHYLENE GLYCOL
|
分辨率 2.90 Å R-free 0.243 |
| 6I8S Discovery and characterisation of an antibody that selectively modulates the inhibitory activity of plasminogen activator inhibitor-1 提交 2018-11-21 | Assembly 4 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 D
24–402（379 aa）
|
突变：YES [N150H, K154T, Q319L, M354I,] | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；15 MM AMMONIUM ACETATE PH 7.4,
8-10 % PEG 8000, 0.2 M LICL AND 20 % ETHYLENE GLYCOL
|
分辨率 2.90 Å R-free 0.243 |
| 6ZRV Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) in Complex with an Inhibitory Nanobody (VHH-s-a93, Nb93) 提交 2020-07-15 | 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
24–402（379 aa）
|
突变：W175F | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；1 M DIAMMONIUM PHOSPHATE, O.1 M TRISODIUM CITRATE, 0.2 M SODIUM CHLORIDE
|
分辨率 1.88 Å R-free 0.233 |
| 7AQF Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) 提交 2020-10-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
24–402（379 aa）
|
未记录 | RV2 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 8.3；293 K；0.2 M TRISODIUM CITRATE, 10% w/v PEG 3350
|
分辨率 1.77 Å R-free 0.213 |
| 7AQF Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) 提交 2020-10-21 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
24–402（379 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 8.3；293 K；0.2 M TRISODIUM CITRATE, 10% w/v PEG 3350
|
分辨率 1.77 Å R-free 0.213 |
| 7AQG Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) 提交 2020-10-21 | 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
24–402（379 aa）
|
突变：W175F | RV2 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M BIS-TRIS, 10% w/v PEG 3350
|
分辨率 2.27 Å R-free 0.268 |
| 9PAI CLEAVED SUBSTRATE VARIANT OF PLASMINOGEN ACTIVATOR INHIBITOR-1 提交 1999-03-11 | 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
24–359（336 aa）
链 B
360–402（43 aa）
|
突变：A335P | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 8.5；19% (W/V) PEG 4000, 100 MM TRIS PH 8.5
|
分辨率 2.70 Å R-free 0.295 |