当前蛋白身份：P03952
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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 |
|---|---|---|---|---|---|---|---|
| 10KZ N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors 提交 2026-01-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
376–638（263 aa）
|
未记录 | A1C6O (3'R)-1'-(1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；0.1 M HEPES, pH 7.0, 10-12% PEG8000
|
分辨率 1.78 Å R-free 0.197 |
| 10LR N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable PlasmaKallikrein Inhibitors complex with Compound 4 ((3'R)-1'-(5-amino-1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) 提交 2026-01-27 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
376–638（263 aa）
片段：catalytic domain (UNP residues 376-638)
|
突变：C382S, C503S | MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 A1C6Q (3'R)-1'-(5-amino-1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；0.1 M HEPES, pH 7.0, 10-12% PEG8000
|
分辨率 1.58 Å R-free 0.261 |
| 10MV N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors complex with Compound 15 ((3'R)-1'-(5-amino-1-phenyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) 提交 2026-01-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
376–638（263 aa）
片段：catalytic domain (UNP residues 376-638)
|
突变：C383S, C503S | MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 A1C6X (3'R)-1'-(5-amino-1-phenyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES, pH 6.5, 24% PEG8000, 5% glycerol
|
分辨率 1.66 Å R-free 0.226 |
| 10MW N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors compound 25 ((3'R)-1'-{(1P)-5-amino-1-[2-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) 提交 2026-01-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
376–638（263 aa）
片段：catalytic domain (UNP residues 376-638)
|
未记录 | MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 A1C6Z (3'R)-1'-{(1P)-5-amino-1-[2-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES, pH 6.5, 24% PEG8000, 5% glycerol
|
分辨率 1.62 Å R-free 0.234 |
| 10QS N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors Compound 13 ((3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) 提交 2026-02-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
376–638（263 aa）
片段：catalytic domain (UNP residues 376-638)
|
突变：C383S. C503S | MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 A1C7M (3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES, pH 6.5, 24% PEG8000, 5% glycerol
|
分辨率 1.73 Å R-free 0.259 |
| 2ANW Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma kallikrein: Implications for structure-based design of protease inhibitors 提交 2005-08-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
391–631（241 aa）
片段：protease domain, enzymatically deglycosylated
|
突变：C122S | BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；0.5 microliter of the protein solution and 0.5 microliter of the reservoir solution (25% PEG 6000 , 0.10 M MES pH 6.5)., VAPOR DIFFUSION, HANGING DROP, temperature 290.0K
|
分辨率 1.85 Å R-free 0.283 |
| 2ANY Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors 提交 2005-08-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
391–631（241 aa）
片段：protease domain, enzymatically deglycosylated
|
突变：C122S, N21E, N72E, N113E | PO4 PHOSPHATE ION × 3 BEN BENZAMIDINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；290 K；0.5 microliter of the protein solution and 0.5 microliter of the reservoir solution (25% PEG 6000, 0.10 M MES pH 6.5) , VAPOR DIFFUSION, SITTING DROP, temperature 290.0K
|
分辨率 1.40 Å R-free 0.213 |
| 4OGX Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution 提交 2014-01-16 | 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
391–631（241 aa）
片段：UNP residues 391-631
|
突变：N396E, N453E, N494E, C503S | SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；289 K；FAB DX-2930 AND HUMAN PLASMA KALLIKREIN VCID 7481 AT 150 UM OR 11.7 MG/ML AGAINST WIZ3-4 screen condition H7, 30% MPD, 10% PEG 3350, 0.1 M imidazole pH 6.5, 0.2 M ammonium sulfate, unique puck ID QJO1-12, crystal tracking ID 242118H7 , VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 2.40 Å R-free 0.236 |
| 4OGY Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution 提交 2014-01-16 | 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
391–631（241 aa）
片段：UNP residues 391-631
|
突变：N396E, N453E, N494E, C503S | EDO 1,2-ETHANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；289 K；FAB DX-2930 AND HUMAN PLASMA KALLIKREIN VCID 7481 AT 150 UM OR 11.7 MG/ML AGAINST INDEX screen condition D10, 20% PEG 5000 MME, 0.1 M BisTris pH 6.5 supplemented with 20% ethylene glycol as cryo-protectant, unique puck ID qjo1-15, crystal tracking ID 242121d10, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 2.10 Å R-free 0.221 |
| 4OGY Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution 提交 2014-01-16 | 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
391–631（241 aa）
片段：UNP residues 391-631
|
突变：N396E, N453E, N494E, C503S | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 6.5；289 K；FAB DX-2930 AND HUMAN PLASMA KALLIKREIN VCID 7481 AT 150 UM OR 11.7 MG/ML AGAINST INDEX screen condition D10, 20% PEG 5000 MME, 0.1 M BisTris pH 6.5 supplemented with 20% ethylene glycol as cryo-protectant, unique puck ID qjo1-15, crystal tracking ID 242121d10, VAPOR DIFFUSION, SITTING DROP, temperature 289K
|
分辨率 2.10 Å R-free 0.221 |
| 5F8T The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2 提交 2015-12-09 | 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
391–629（239 aa）
片段：UNP RESIDUES 391-629
|
突变：C122S | SO4 SULFATE ION × 4 MRZ piperidine-1-carboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25% PEG 3350, 0.1M Hepes, pH 7.5, 20mM (NH4)2SO4
|
分辨率 1.75 Å R-free 0.245 |
| 5F8X The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3 提交 2015-12-09 | 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
391–629（239 aa）
片段：UNP RESIDUES 391-629
|
突变：C122S | SO4 SULFATE ION × 8 MRZ piperidine-1-carboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；23% PEG 3350, 0.1M TRIS-HCL, PH 8.5, 20MM (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K
|
分辨率 1.55 Å R-free 0.243 |
| 5F8Z The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1 提交 2015-12-09 | 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
391–629（239 aa）
片段：UNP RESIDUES 391-629
|
突变：C122S | SO4 SULFATE ION × 5 MRZ piperidine-1-carboximidamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；28% PEG 3350, 0.1M TRIS-HCL PH8.5, 20MM (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K
|
分辨率 1.50 Å R-free 0.217 |
| 5TJX Structure of human plasma kallikrein 提交 2016-10-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
376–638（263 aa）
片段：UNP residues 376-638
|
突变：N396E, N453E, N494E, C503S | GBT (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one × 1 PO4 PHOSPHATE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；296 K；0.2 M potassium di-hydrogen phosphate, 21 % PEG 3350
|
分辨率 1.41 Å R-free 0.184 |
| 6I44 Allosteric activation of human prekallikrein by apple domain disc rotation 提交 2018-11-09 | Assembly 1 其他组合 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
20–638（619 aa）
|
未记录 | BEN BENZAMIDINE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 4 FMT FORMIC ACID × 8 ACT ACETATE ION × 6 GLY GLYCINE × 1 SER SERINE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 7.5；293 K；0.1M carboxylic acid, 0.1M Hepes/mops pH 7.5, 12.5%MPD, 12.5%PEG1000, 12.5%PEG3350
|
分辨率 1.36 Å R-free 0.196 |
| 6O1G Full length human plasma kallikrein with inhibitor 提交 2019-02-19 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
1–638（638 aa）
|
未记录 | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 7SD N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；296 K；0.1 M Hepes pH 7.5 0.1 M Sodium Citrate 25 % PEG 3350
|
分辨率 2.20 Å R-free 0.240 |
| 6O1S Structure of human plasma kallikrein protease domain with inhibitor 提交 2019-02-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 E
376–638（263 aa）
|
突变：N377E, N434E, N475E, C383E, and C484S | PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 1 7SD N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；296 K；24% PEG 3350, 0.2M potassium dihydrogen phosphate
|
分辨率 1.70 Å R-free 0.201 |
| 6T7P human plasmakallikrein protease domain in complex with active site directed inhibitor 提交 2019-10-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
391–632（242 aa）
|
未记录 | GSH Glutathione × 1 DMS DIMETHYL SULFOXIDE × 10 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 MU8 (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG10000, 200 mM Sodium phosphate (monobasic), corresponds to Nextal condition #87 from PEG series
|
分辨率 1.42 Å R-free 0.188 |
| 7N7X Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution 提交 2021-06-11 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 AAA
391–626（236 aa）
片段：Peptidase S1 domain
|
突变：N6E, N63E, N104E, C113S | 0RI Orladeyo × 1 PO4 PHOSPHATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；25% PEG 6000, 0.1MES buffer
|
分辨率 2.10 Å R-free 0.259 |
| 7QOX Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes 提交 2021-12-29 | 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
20–378（359 aa）
|
未记录 | GOL GLYCEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 3 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 PG4 TETRAETHYLENE GLYCOL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；288 K；Morpheus screen H9 condition:
0.1M amino acids, 0.1M buffer system 3 pH8.5, 30% precipitant mix 1.
|
分辨率 2.32 Å R-free 0.253 |
| 7QOX Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes 提交 2021-12-29 | 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
20–378（359 aa）
|
未记录 | GOL GLYCEROL × 5 PEG DI(HYDROXYETHYL)ETHER × 2 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PG6 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；288 K；Morpheus screen H9 condition:
0.1M amino acids, 0.1M buffer system 3 pH8.5, 30% precipitant mix 1.
|
分辨率 2.32 Å R-free 0.253 |
| 8A3Q Human Plasma Kallekrein in complex with 14W 提交 2022-06-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
376–638（263 aa）
|
未记录 | A1J3F N-[(3-fluoranyl-4-methoxy-pyridin-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxidanylidenepyridin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
COUNTER-DIFFUSION；pH 5.5；291 K；25% PEG 6K, 0.10 M MES, pH 6.5, 14 mg/mL protein including 20 mM Benzamidine. 1:1 ratio of protein to mother liquor at 1 + 1 microliters over a 500 microliter reservoir at 18 Celsius
|
分辨率 1.80 Å R-free 0.273 |
| 8FGX Cryo-EM structure of the STAR-0215 Fab in complex with active human plasma kallikrein 提交 2022-12-13 | 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 C
20–638（619 aa）
|
未记录 | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 7
cryo-EM玻璃化条件
冷冻剂 ETHANE；Grids were prepared using a ThermoFisher Vitrobot MkIV with the chamber held at 18C and 100% relative humidity. 3.5 uL of the sample was applied to an UltrAuFoil 1.2/1.3 300 mesh grid that had been freshly glow discharged, blotted for 4 seconds, and plunge frozen in liquid ethane.
|
分辨率 2.62 Å |
| 9VWT The catalytic domain of human plasma kallikrein with peptide inhibitor 070 提交 2025-07-17 | 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 A
391–627（237 aa）
|
突变：C122S | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, SITTING DROP；298 K；PEG 3350, TRIS-HCL, (NH4)2SO4
|
分辨率 1.77 Å R-free 0.210 |