当前蛋白身份:P48147 重新检索
本组结构的主要差异维度
构建体不同 配体/离子不同 实验环境不同 结构质量指标不同

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
3DDU Prolyl Oligopeptidase with GSK552 提交 2008-06-06 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 2–710(709 aa)
未记录 ACT ACETATE ION × 5 552 (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION;pH 4.6;277 K;0 .2M NaoAc 4.6, 9% Peg 4000, VAPOR DIFFUSION, temperature 277K
分辨率 1.56 Å R-free 0.172
9Q5G Human prolyl endopeptidase (PREP) - apo form 提交 2025-08-20 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 GOL GLYCEROL × 4 SCN THIOCYANATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.63 Å R-free 0.200
9Q5G Human prolyl endopeptidase (PREP) - apo form 提交 2025-08-20 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 GOL GLYCEROL × 5 SCN THIOCYANATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 3 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.63 Å R-free 0.200
9Q5G Human prolyl endopeptidase (PREP) - apo form 提交 2025-08-20 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.63 Å R-free 0.200
9Q5X Human prolyl endopeptidase (PREP) - complex with KT-2-74 提交 2025-08-21 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 A1CQT 4-chloro-1,3-dimethyl-N-(2-{[3-oxo-3-(pyrrolidin-1-yl)propyl](3-phenylpropyl)amino}ethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 3 SCN THIOCYANATE ION × 1 GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.41 Å R-free 0.192
9Q5X Human prolyl endopeptidase (PREP) - complex with KT-2-74 提交 2025-08-21 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 A1CQT 4-chloro-1,3-dimethyl-N-(2-{[3-oxo-3-(pyrrolidin-1-yl)propyl](3-phenylpropyl)amino}ethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 2 SCN THIOCYANATE ION × 3 GOL GLYCEROL × 6 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.41 Å R-free 0.192
9Q5X Human prolyl endopeptidase (PREP) - complex with KT-2-74 提交 2025-08-21 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 A1CQT 4-chloro-1,3-dimethyl-N-(2-{[3-oxo-3-(pyrrolidin-1-yl)propyl](3-phenylpropyl)amino}ethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 3 SCN THIOCYANATE ION × 4 GOL GLYCEROL × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.41 Å R-free 0.192
9Q5Y Human prolyl endopeptidase (PREP) - complex with YX45 提交 2025-08-21 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 A1CQR 2-[4-chloro-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-(pyrrolidin-1-yl)ethan-1-one × 1 GOL GLYCEROL × 5 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.49 Å R-free 0.206
9Q5Y Human prolyl endopeptidase (PREP) - complex with YX45 提交 2025-08-21 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 A1CQR 2-[4-chloro-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-(pyrrolidin-1-yl)ethan-1-one × 1 GOL GLYCEROL × 9 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.49 Å R-free 0.206
9Q5Y Human prolyl endopeptidase (PREP) - complex with YX45 提交 2025-08-21 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 A1CQR 2-[4-chloro-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-(pyrrolidin-1-yl)ethan-1-one × 1 GOL GLYCEROL × 6 PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.49 Å R-free 0.206
9Q5Z Human prolyl endopeptidase (PREP) - complex with KT-1-147 提交 2025-08-21 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 GOL GLYCEROL × 8 PEG DI(HYDROXYETHYL)ETHER × 2 A1CQS 3-methyl-1-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 SCN THIOCYANATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.41 Å R-free 0.187
9Q5Z Human prolyl endopeptidase (PREP) - complex with KT-1-147 提交 2025-08-21 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 GOL GLYCEROL × 7 PEG DI(HYDROXYETHYL)ETHER × 1 A1CQS 3-methyl-1-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 SCN THIOCYANATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.41 Å R-free 0.187
9Q5Z Human prolyl endopeptidase (PREP) - complex with KT-1-147 提交 2025-08-21 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 GOL GLYCEROL × 4 A1CQS 3-methyl-1-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 SCN THIOCYANATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.41 Å R-free 0.187
9Q62 Human prolyl endopeptidase (PREP) - complex with KT-2-108 提交 2025-08-21 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 K POTASSIUM ION × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 A1CQQ 4-chloro-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 SCN THIOCYANATE ION × 8 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.83 Å R-free 0.239
9Q62 Human prolyl endopeptidase (PREP) - complex with KT-2-108 提交 2025-08-21 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 K POTASSIUM ION × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 A1CQQ 4-chloro-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 SCN THIOCYANATE ION × 6 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.83 Å R-free 0.239
9Q62 Human prolyl endopeptidase (PREP) - complex with KT-2-108 提交 2025-08-21 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 K POTASSIUM ION × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 A1CQQ 4-chloro-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 SCN THIOCYANATE ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.83 Å R-free 0.239
9Q64 Human prolyl endopeptidase (PREP) - complex with KT-2-59 提交 2025-08-21 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 A1CQV 1,3-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 3 SCN THIOCYANATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.94 Å R-free 0.233
9Q64 Human prolyl endopeptidase (PREP) - complex with KT-2-59 提交 2025-08-21 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 A1CQV 1,3-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 7 SCN THIOCYANATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.94 Å R-free 0.233
9Q64 Human prolyl endopeptidase (PREP) - complex with KT-2-59 提交 2025-08-21 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 A1CQV 1,3-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.94 Å R-free 0.233
9Q65 Human prolyl endopeptidase (PREP) - complex with KT-2-75 提交 2025-08-21 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 A1CQU 4-chloro-1,3-dimethyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 5 SCN THIOCYANATE ION × 4 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.89 Å R-free 0.295
9Q65 Human prolyl endopeptidase (PREP) - complex with KT-2-75 提交 2025-08-21 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 D 1–710(710 aa)
未记录 A1CQU 4-chloro-1,3-dimethyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 3 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.89 Å R-free 0.295
9Q65 Human prolyl endopeptidase (PREP) - complex with KT-2-75 提交 2025-08-21 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 F 1–710(710 aa)
未记录 A1CQU 4-chloro-1,3-dimethyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 SCN THIOCYANATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.89 Å R-free 0.295
9Q66 Human prolyl endopeptidase (PREP) - complex with JP-4-1-7 提交 2025-08-21 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 A1CQP 4-chloro-1-(cyclohexylmethyl)-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 2 SCN THIOCYANATE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 2.01 Å R-free 0.266
9Q66 Human prolyl endopeptidase (PREP) - complex with JP-4-1-7 提交 2025-08-21 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 A1CQP 4-chloro-1-(cyclohexylmethyl)-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 2 SCN THIOCYANATE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 2.01 Å R-free 0.266
9Q66 Human prolyl endopeptidase (PREP) - complex with JP-4-1-7 提交 2025-08-21 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 A1CQP 4-chloro-1-(cyclohexylmethyl)-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 1 SCN THIOCYANATE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 2.01 Å R-free 0.266
9Q6J Human prolyl endopeptidase (PREP) - complex with KT-2-126 提交 2025-08-22 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 A1CQ0 4-chloro-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-3-phenyl-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 8 PEG DI(HYDROXYETHYL)ETHER × 2 SCN THIOCYANATE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.75 Å R-free 0.226
9Q6J Human prolyl endopeptidase (PREP) - complex with KT-2-126 提交 2025-08-22 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 A1CQ0 4-chloro-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-3-phenyl-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 2 SCN THIOCYANATE ION × 5 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.75 Å R-free 0.226
9Q6J Human prolyl endopeptidase (PREP) - complex with KT-2-126 提交 2025-08-22 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 A1CQ0 4-chloro-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-3-phenyl-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 6 SCN THIOCYANATE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.75 Å R-free 0.226
9Q6K Human prolyl endopeptidase (PREP) - complex with JP-2-1-7 提交 2025-08-22 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 A1CQZ 4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 5 PEG DI(HYDROXYETHYL)ETHER × 1 SCN THIOCYANATE ION × 9 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.85 Å R-free 0.272
9Q6K Human prolyl endopeptidase (PREP) - complex with JP-2-1-7 提交 2025-08-22 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 A1CQZ 4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 4 SCN THIOCYANATE ION × 8 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.85 Å R-free 0.272
9Q6K Human prolyl endopeptidase (PREP) - complex with JP-2-1-7 提交 2025-08-22 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 A1CQZ 4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 GOL GLYCEROL × 3 SCN THIOCYANATE ION × 3 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.85 Å R-free 0.272
9Q6L Human prolyl endopeptidase (PREP) - complex with KT-2-197 提交 2025-08-22 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 9 PEG DI(HYDROXYETHYL)ETHER × 6 GOL GLYCEROL × 12 DMS DIMETHYL SULFOXIDE × 3 A1CQY 3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.66 Å R-free 0.216
9Q6L Human prolyl endopeptidase (PREP) - complex with KT-2-197 提交 2025-08-22 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 5 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 9 DMS DIMETHYL SULFOXIDE × 1 A1CQY 3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.66 Å R-free 0.216
9Q6L Human prolyl endopeptidase (PREP) - complex with KT-2-197 提交 2025-08-22 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 1 A1CQY 3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.66 Å R-free 0.216
9Q6X Human prolyl endopeptidase (PREP) - complex with KT-2-186 提交 2025-08-22 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 10 PEG DI(HYDROXYETHYL)ETHER × 6 GOL GLYCEROL × 14 DMS DIMETHYL SULFOXIDE × 3 A1CQ1 4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-3-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.66 Å R-free 0.214
9Q6X Human prolyl endopeptidase (PREP) - complex with KT-2-186 提交 2025-08-22 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 9 DMS DIMETHYL SULFOXIDE × 1 A1CQ1 4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-3-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.66 Å R-free 0.214
9Q6X Human prolyl endopeptidase (PREP) - complex with KT-2-186 提交 2025-08-22 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 1 A1CQ1 4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-3-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.66 Å R-free 0.214
9XYK Human prolyl endopeptidase (PREP) - complex with JP-7-1-7 提交 2025-08-26 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 9 PEG DI(HYDROXYETHYL)ETHER × 6 GOL GLYCEROL × 12 DMS DIMETHYL SULFOXIDE × 3 A1CRL 4-chloro-1-(2-cyclohexylethyl)-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.73 Å R-free 0.255
9XYK Human prolyl endopeptidase (PREP) - complex with JP-7-1-7 提交 2025-08-26 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 5 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 8 DMS DIMETHYL SULFOXIDE × 1 A1CRL 4-chloro-1-(2-cyclohexylethyl)-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.73 Å R-free 0.255
9XYK Human prolyl endopeptidase (PREP) - complex with JP-7-1-7 提交 2025-08-26 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 SCN THIOCYANATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 1 A1CRL 4-chloro-1-(2-cyclohexylethyl)-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.73 Å R-free 0.255
9XYL Human prolyl endopeptidase (PREP) - complex with S17092 提交 2025-08-26 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 A1CRK {(2S,3aS,7aS)-1-[(1R,2R)-2-phenylcyclopropane-1-carbonyl]octahydro-1H-indol-2-yl}(1,3-thiazolidin-3-yl)methanone × 1 GOL GLYCEROL × 4 SCN THIOCYANATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.81 Å R-free 0.249
9XYL Human prolyl endopeptidase (PREP) - complex with S17092 提交 2025-08-26 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 A1CRK {(2S,3aS,7aS)-1-[(1R,2R)-2-phenylcyclopropane-1-carbonyl]octahydro-1H-indol-2-yl}(1,3-thiazolidin-3-yl)methanone × 1 GOL GLYCEROL × 3 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.81 Å R-free 0.249
9XYL Human prolyl endopeptidase (PREP) - complex with S17092 提交 2025-08-26 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 A1CRK {(2S,3aS,7aS)-1-[(1R,2R)-2-phenylcyclopropane-1-carbonyl]octahydro-1H-indol-2-yl}(1,3-thiazolidin-3-yl)methanone × 1 GOL GLYCEROL × 2 SCN THIOCYANATE ION × 2 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.81 Å R-free 0.249
9XYL Human prolyl endopeptidase (PREP) - complex with S17092 提交 2025-08-26 Assembly 4 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 D 1–710(710 aa)
未记录 A1CRK {(2S,3aS,7aS)-1-[(1R,2R)-2-phenylcyclopropane-1-carbonyl]octahydro-1H-indol-2-yl}(1,3-thiazolidin-3-yl)methanone × 1 GOL GLYCEROL × 1 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.81 Å R-free 0.249
9XYL Human prolyl endopeptidase (PREP) - complex with S17092 提交 2025-08-26 Assembly 5 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 E 1–710(710 aa)
未记录 A1CRK {(2S,3aS,7aS)-1-[(1R,2R)-2-phenylcyclopropane-1-carbonyl]octahydro-1H-indol-2-yl}(1,3-thiazolidin-3-yl)methanone × 1 GOL GLYCEROL × 2 SCN THIOCYANATE ION × 2 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.81 Å R-free 0.249
9XYL Human prolyl endopeptidase (PREP) - complex with S17092 提交 2025-08-26 Assembly 6 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 F 1–710(710 aa)
未记录 A1CRK {(2S,3aS,7aS)-1-[(1R,2R)-2-phenylcyclopropane-1-carbonyl]octahydro-1H-indol-2-yl}(1,3-thiazolidin-3-yl)methanone × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.81 Å R-free 0.249
9XZZ Human prolyl endopeptidase (PREP) - complex with KYP2047 提交 2025-08-28 Assembly 1 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 A 1–710(710 aa)
未记录 2P6 (2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile × 1 GOL GLYCEROL × 7 SCN THIOCYANATE ION × 2 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;in 25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.58 Å R-free 0.200
9XZZ Human prolyl endopeptidase (PREP) - complex with KYP2047 提交 2025-08-28 Assembly 2 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 B 1–710(710 aa)
未记录 2P6 (2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile × 1 GOL GLYCEROL × 5 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;in 25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.58 Å R-free 0.200
9XZZ Human prolyl endopeptidase (PREP) - complex with KYP2047 提交 2025-08-28 Assembly 3 蛋白单体 单体;蛋白 × 1 PDB 声明:monomeric(1) 与蛋白数一致
链 C 1–710(710 aa)
未记录 2P6 (2S)-1-[1-(4-phenylbutanoyl)-L-prolyl]pyrrolidine-2-carbonitrile × 1 GOL GLYCEROL × 3 SCN THIOCYANATE ION × 3 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;in 25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5
分辨率 1.58 Å R-free 0.200