2ogq

Molecular and structural basis of Plk1 substrate recognition: Implications in centrosomal localization

Method: X-RAY DIFFRACTION D_max: 69.6 Å Quality: GOOD

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Serine/threonine-protein kinase PLK1

Homo sapiens

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 365–603	片段：Polo-Box domain, residues 365-603	无其他共同聚合物	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION；pH 9；289 K；0.1 M Sodium Chloride, 0.1 M Bicine, 20% w/v Polyethylene Glycol Monomethyl Ether 550, pH 9.0, VAPOR DIFFUSION, temperature 289K	分辨率 1.95 Å R-free 0.221

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 2OGQ	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1Q4K The polo-box domain of Plk1 in complex with a phospho-peptide 提交 2003-08-04	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 345–603（259 aa）片段：Polo box domain of human Plk1	突变：residues 345-603	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；PEG 20000, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.30 Å R-free 0.312
1Q4K The polo-box domain of Plk1 in complex with a phospho-peptide 提交 2003-08-04	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 345–603（259 aa）片段：Polo box domain of human Plk1	突变：residues 345-603	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；PEG 20000, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.30 Å R-free 0.312
1Q4K The polo-box domain of Plk1 in complex with a phospho-peptide 提交 2003-08-04	构建体不同突变/修饰不同聚集状态不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 345–603（259 aa）片段：Polo box domain of human Plk1	突变：residues 345-603	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；PEG 20000, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.30 Å R-free 0.312
1Q4O The structure of the polo box domain of human Plk1 提交 2003-08-04	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 367–603（237 aa）片段：Polo box domain of Plk1	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG 4000, sodium citrate and ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.20 Å R-free 0.288
1Q4O The structure of the polo box domain of human Plk1 提交 2003-08-04	构建体不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 367–603（237 aa）片段：Polo box domain of Plk1	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG 4000, sodium citrate and ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.20 Å R-free 0.288
1UMW Structure of a human Plk1 Polo-box domain/phosphopeptide complex 提交 2003-08-29	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 367–603（237 aa）片段：POLO-BOX DOMAIN, RESIDUES 367-603	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 8；pH 8.00	分辨率 1.90 Å R-free 0.260
1UMW Structure of a human Plk1 Polo-box domain/phosphopeptide complex 提交 2003-08-29	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 367–603（237 aa）片段：POLO-BOX DOMAIN, RESIDUES 367-603	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 8；pH 8.00	分辨率 1.90 Å R-free 0.260
22RD High-resolution cryo-EM structure of human Polo-like kinase 1 in complex with onvansertib 提交 2026-01-21	构建体不同突变/修饰不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 13–345（333 aa）	突变：T210V	937 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE × 1	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.38 Å
2OJX Molecular and structural basis of polo-like kinase 1 substrate recognition: Implications in centrosomal localization 提交 2007-01-15	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 365–603（239 aa）片段：residues 365-603	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；289 K；20 % PEG 10000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 2.85 Å R-free 0.270
2OU7 Structure of the Catalytic Domain of Human Polo-like Kinase 1 提交 2007-02-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 13–345（333 aa）片段：Catalytic Domain (residues 13-345)	突变：T210V	ZN ZINC ION × 1 ACT ACETATE ION × 2 MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Protein buffer: 50 mM HEPES, pH 7.5, 5 mM TCEP. Protein was incubated on ice with 5 mM ligand (1:20 dilution of 100 mM stock in H2O for AMPPNP or DMSO for PHA-680626) for 0.5-1 h, followed by a brief centrifugation step and drop setting at RT (0.5 microliter protein + 0.5 microliter reservoir solution consisting of 500 mM magnesium acetate, 10 % PEG 4000 and 0.3 mM zinc acetate for AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.40 Å R-free 0.235
2OU7 Structure of the Catalytic Domain of Human Polo-like Kinase 1 提交 2007-02-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 13–345（333 aa）片段：Catalytic Domain (residues 13-345)	突变：T210V	ZN ZINC ION × 2 ACT ACETATE ION × 4 MG MAGNESIUM ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Protein buffer: 50 mM HEPES, pH 7.5, 5 mM TCEP. Protein was incubated on ice with 5 mM ligand (1:20 dilution of 100 mM stock in H2O for AMPPNP or DMSO for PHA-680626) for 0.5-1 h, followed by a brief centrifugation step and drop setting at RT (0.5 microliter protein + 0.5 microliter reservoir solution consisting of 500 mM magnesium acetate, 10 % PEG 4000 and 0.3 mM zinc acetate for AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.40 Å R-free 0.235
2OWB Structure of the Catalytic Domain of Human Polo-like Kinase 1 提交 2007-02-15	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 13–345（333 aa）片段：Kinase domain (residues 13-345)	突变：T210V	ZN ZINC ION × 1 ACT ACETATE ION × 2 626 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Protein buffer: 50 mM HEPES, pH 7.5, 5 mM TCEP. Protein was incubated on ice with 5 mM ligand (1:20 dilution of 100 mM stock in H2O for AMPPNP or DMSO for PHA-680626) for 0.5-1 h, followed by a brief centrifugation step and drop setting at RT (0.5 microliter protein + 0.5 microliter reservoir solution consisting of 500 mM magnesium acetate, 10 % PEG 4000 and 0.3 mM zinc acetate for AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.10 Å R-free 0.243
2OWB Structure of the Catalytic Domain of Human Polo-like Kinase 1 提交 2007-02-15	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 13–345（333 aa）片段：Kinase domain (residues 13-345)	突变：T210V	ZN ZINC ION × 2 ACT ACETATE ION × 4 626 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Protein buffer: 50 mM HEPES, pH 7.5, 5 mM TCEP. Protein was incubated on ice with 5 mM ligand (1:20 dilution of 100 mM stock in H2O for AMPPNP or DMSO for PHA-680626) for 0.5-1 h, followed by a brief centrifugation step and drop setting at RT (0.5 microliter protein + 0.5 microliter reservoir solution consisting of 500 mM magnesium acetate, 10 % PEG 4000 and 0.3 mM zinc acetate for AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.10 Å R-free 0.243
2RKU Structure of PLK1 in complex with BI2536 提交 2007-10-17	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 37–330（294 aa）	突变：T210V	ZN ZINC ION × 1 R78 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 1 TLA L(+)-TARTARIC ACID × 2 SRT S,R MESO-TARTARIC ACID × 2 TAR D(-)-TARTARIC ACID × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.95 Å R-free 0.241
2RKU Structure of PLK1 in complex with BI2536 提交 2007-10-17	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 37–330（294 aa）	突变：T210V	ZN ZINC ION × 2 R78 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 2 TLA L(+)-TARTARIC ACID × 4 SRT S,R MESO-TARTARIC ACID × 4 TAR D(-)-TARTARIC ACID × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.95 Å R-free 0.241
2V5Q CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN 提交 2007-07-08	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 33–345（313 aa）片段：KINASE DOMAIN, RESIDUES 33-345	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 303 K；0.1 M TRIS-HCL PH 8.0, 8% PEG 5000 MME, 0.01 M EDTA SODIUM SALT AT 303 K.	分辨率 2.30 Å R-free 0.224
2V5Q CRYSTAL STRUCTURE OF WILD-TYPE PLK-1 KINASE DOMAIN IN COMPLEX WITH A SELECTIVE DARPIN 提交 2007-07-08	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 33–345（313 aa）片段：KINASE DOMAIN, RESIDUES 33-345	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 303 K；0.1 M TRIS-HCL PH 8.0, 8% PEG 5000 MME, 0.01 M EDTA SODIUM SALT AT 303 K.	分辨率 2.30 Å R-free 0.224
2YAC Crystal structure of Polo-like kinase 1 in complex with NMS-P937 提交 2011-02-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 36–345（310 aa）片段：KINASE DOMAIN RESIDUES 36-345	未记录	937 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE × 2 ZN ZINC ION × 2 TLA L(+)-TARTARIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6；pH 6.0	分辨率 2.20 Å R-free 0.255
3BZI Molecular and structural basis of polo-like kinase 1 substrate recognition: Implications in centrosomal localization 提交 2008-01-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 365–603（239 aa）片段：Polo Box Domain	未记录	FMT FORMIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；298 K；100mM HEPES pH 7.5, 2M ammonium formate, VAPOR DIFFUSION, temperature 298K	分辨率 2.10 Å R-free 0.246
3C5L Polo-like kinase 1 Polo box domain in complex with PPHSpT peptide 提交 2008-01-31	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 373–593（221 aa）片段：Polo Box 1, Polo Box 2, UNP residues 373-593	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；277 K；PEG3350, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.33 Å R-free 0.293
3FC2 PLK1 in complex with BI6727 提交 2008-11-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 13–345（333 aa）片段：residies 13-345	突变：T210V	IBI N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide × 2 EDO 1,2-ETHANEDIOL × 8 ACT ACETATE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 2 ZN ZINC ION × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.45 Å R-free 0.226
3FVH Polo-like kinase 1 Polo box domain in complex with Ac-LHSpTA-NH2 peptide 提交 2009-01-15	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 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 8.5；293 K；PEG 2000 MME, Tris pH 8.5, trimethyl-amine oxide, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.58 Å R-free 0.227
3HIH Structure of human Plk1-PBD with glycerol and sulfate in the phophopeptide binding site 提交 2009-05-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 371–593（223 aa）	未记录	SO4 SULFATE ION × 3 GOL GLYCEROL × 4 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.2 M lithium sulfate monohydrate, 0.1 M bis-tris, 25% w/v PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.70 Å R-free 0.219
3HIH Structure of human Plk1-PBD with glycerol and sulfate in the phophopeptide binding site 提交 2009-05-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 371–593（223 aa）	未记录	SO4 SULFATE ION × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.2 M lithium sulfate monohydrate, 0.1 M bis-tris, 25% w/v PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.70 Å R-free 0.219
3HIK Structure of human Plk1-PBD in complex with PLHSpT 提交 2009-05-20	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 367–603（237 aa）片段：UNP residues 367-603	未记录	GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 hanging drop；298 K；0.2 M di potassium phosphate, 20% w/v PEG 3350, hanging drop, temperature 298K	分辨率 1.77 Å R-free 0.237
3KB7 Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor 提交 2009-10-20	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 36–345（310 aa）片段：kinase domain	非标准单体：是（mmCIF未提供具体位点）	071 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide × 2 ZN ZINC ION × 2 TLA L(+)-TARTARIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；1.2M Na/K tartrate, 25mM Zn acetate, 0.1M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.50 Å R-free 0.303
3P2W Unliganded form of Polo-like kinase I Polo-box domain 提交 2010-10-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 371–594（224 aa）片段：Polo-box domain	未记录	SO4 SULFATE ION × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100mM HEPES, 1.0-2.0M (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.66 Å R-free 0.232
3P2Z Polo-like kinase I Polo-box domain in complex with PLHSpTA phosphopeptide from PBIP1 提交 2010-10-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）片段：Polo-box domain	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.2M K/Na tartrate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.79 Å R-free 0.250
3P34 Polo-like kinase I Polo-box domain in complex with MQSpTPL phosphopeptide 提交 2010-10-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）片段：Polo-box domain	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；100mM HEPES, 1.0-2.0M (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.40 Å R-free 0.230
3P35 Polo-like kinase I Polo-box domain in complex with MQSpSPL phosphopeptide 提交 2010-10-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）片段：Polo-box domain	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.2M potassium formate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.09 Å R-free 0.273
3P35 Polo-like kinase I Polo-box domain in complex with MQSpSPL phosphopeptide 提交 2010-10-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 371–594（224 aa）片段：Polo-box domain	未记录	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.2M potassium formate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.09 Å R-free 0.273
3P35 Polo-like kinase I Polo-box domain in complex with MQSpSPL phosphopeptide 提交 2010-10-04	构建体不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 371–594（224 aa）片段：Polo-box domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.2M potassium formate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.09 Å R-free 0.273
3P36 Polo-like kinase I Polo-box domain in complex with DPPLHSpTA phosphopeptide from PBIP1 提交 2010-10-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）片段：Polo-box domain	未记录	GOL GLYCEROL × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.2；293 K；100mM Na/K phosphate, 0.2M NaCl, 10% PEG 8000, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.59 Å R-free 0.252
3P37 Polo-like kinase I Polo-box domain in complex with FDPPLHSpTA phosphopeptide from PBIP1 提交 2010-10-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）片段：Polo-box domain	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；100mM MES, 30% PEG 400, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.38 Å R-free 0.288
3P37 Polo-like kinase I Polo-box domain in complex with FDPPLHSpTA phosphopeptide from PBIP1 提交 2010-10-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 371–594（224 aa）片段：Polo-box domain	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；100mM MES, 30% PEG 400, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.38 Å R-free 0.288
3P37 Polo-like kinase I Polo-box domain in complex with FDPPLHSpTA phosphopeptide from PBIP1 提交 2010-10-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 371–594（224 aa）片段：Polo-box domain	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；100mM MES, 30% PEG 400, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.38 Å R-free 0.288
3Q1I Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1 提交 2010-12-17	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）片段：Polo-box domain, residues 371-594	未记录	1PE PENTAETHYLENE GLYCOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；30% PEG400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.40 Å R-free 0.222
3RQ7 Polo-like kinase 1 Polo box domain in complex with a C6H5(CH2)8-derivatized peptide inhibitor 提交 2011-04-27	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 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；298 K；PBD protein at 12 mg/mL in 10 mM Tris, pH 8.0, 0.5 M NaCl, 10 mM DTT, 2% DMSO and 2 mM compound 4j was mixed with an equal volume of reservoir solution consisting of 15% (w/v) PEG 3350, 0.1 M glycine, pH 9.0, 300 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.55 Å R-free 0.190
3THB Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor 提交 2011-08-18	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 13–345（333 aa）片段：UNP residues 13-345	未记录	ZN ZINC ION × 1 3TA 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.50 Å R-free 0.286
3THB Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor 提交 2011-08-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 13–345（333 aa）片段：UNP residues 13-345	未记录	ZN ZINC ION × 2 3TA 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.50 Å R-free 0.286
4A4L CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR 提交 2011-10-17	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 36–345（310 aa）片段：KINASE DOMAIN, RESIDUES 36-345	未记录	ZN ZINC ION × 2 TLA L(+)-TARTARIC ACID × 2 939 1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；1.2 M NA/K TARTRATE, 25 MM ZN ACETATE, 0.10 M MES PH 6.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277 K	分辨率 2.35 Å R-free 0.274
4A4O CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR 提交 2011-10-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 36–345（310 aa）片段：KINASE DOMAIN RESIDUES 36-345	未记录	ZN ZINC ION × 2 TLA L(+)-TARTARIC ACID × 2 664 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；1.2 M NA/K TARTRATE, 25 MM ZN ACETATE, 0.10 M MES PH 6.0, VAPOR DIFFUSION, SITTING-DROP, TEMPERATURE 277 K	分辨率 2.70 Å R-free 0.282
4DFW Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides 提交 2012-01-24	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 367–603（237 aa）	未记录	CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；31% (w/v) PEG 3350, 0.1 M bis-Tris pH 5.5 and 240 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.55 Å R-free 0.196
4E67 The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with hydrocinnamoyl-derivatized PLHSpTA peptide 提交 2012-03-15	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）片段：Polo box domain (PBD), residues 371-594	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES (pH 7.5), 0.1 M sodium azide and 22% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.10 Å R-free 0.265
4E9C The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LDPPLHSpTA phosphopeptide 提交 2012-03-21	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）	未记录	PG0 2-(2-METHOXYETHOXY)ETHANOL × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5, 30% PEG 300, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.70 Å R-free 0.232
4E9D The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide 提交 2012-03-21	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M sodium acetate, 1.0 M LiCl, 30% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.75 Å R-free 0.330
4H5X human Plk1-PBD with a glycerol bound at the phophopeptide binding site 提交 2012-09-19	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 367–603（237 aa）片段：UNP residues 367-603	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；1.4M Sodium Potassium Tartrate, 50mM MES (pH 6.5), 100mM Hepes pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.95 Å R-free 0.242
4H5X human Plk1-PBD with a glycerol bound at the phophopeptide binding site 提交 2012-09-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 367–603（237 aa）片段：UNP residues 367-603	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；1.4M Sodium Potassium Tartrate, 50mM MES (pH 6.5), 100mM Hepes pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.95 Å R-free 0.242
4H71 Human Plk1-PBD in complex with Poloxime ((E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone) 提交 2012-09-19	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 367–603（237 aa）片段：UNP residues 367-603	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；1.4M Sodium Potassium Tartrate, 50mM MES (pH 6.5), 100mM Hepes pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.93 Å R-free 0.237
4H71 Human Plk1-PBD in complex with Poloxime ((E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone) 提交 2012-09-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 367–603（237 aa）片段：UNP residues 367-603	未记录	GOL GLYCEROL × 1 PXE 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；1.4M Sodium Potassium Tartrate, 50mM MES (pH 6.5), 100mM Hepes pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.93 Å R-free 0.237
4HAB Crystal structure of Plk1 Polo-box domain in complex with PL-49 提交 2012-09-26	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–593（223 aa）	未记录	CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 10；293 K；0.1M CAPS pH 8, 0.2M LiSO4, 0.8M K2HPO4 NaH2PO4, vapor diffusion, temperature 293K	分辨率 2.65 Å R-free 0.259
4HAB Crystal structure of Plk1 Polo-box domain in complex with PL-49 提交 2012-09-26	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 371–593（223 aa）	未记录	CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 10；293 K；0.1M CAPS pH 8, 0.2M LiSO4, 0.8M K2HPO4 NaH2PO4, vapor diffusion, temperature 293K	分辨率 2.65 Å R-free 0.259
4HAB Crystal structure of Plk1 Polo-box domain in complex with PL-49 提交 2012-09-26	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 371–593（223 aa）	未记录	CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 10；293 K；0.1M CAPS pH 8, 0.2M LiSO4, 0.8M K2HPO4 NaH2PO4, vapor diffusion, temperature 293K	分辨率 2.65 Å R-free 0.259
4HCO Human Plk1-PBD in complex with Thymoquinone at the phophopeptide binding site 提交 2012-10-01	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 367–603（237 aa）片段：UNP residues 367-603	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；1.4M Sodium Potassium Tartrate, 50mM MES pH 6.5, 100mM Hepes pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.75 Å R-free 0.280
4HCO Human Plk1-PBD in complex with Thymoquinone at the phophopeptide binding site 提交 2012-10-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 367–603（237 aa）片段：UNP residues 367-603	未记录	GOL GLYCEROL × 1 IMW 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；1.4M Sodium Potassium Tartrate, 50mM MES pH 6.5, 100mM Hepes pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.75 Å R-free 0.280
4HY2 Crystal structure of Plk1 Polo-box domain in complex with PL-42 提交 2012-11-12	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–595（225 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 10；293 K；0.1M CAPS pH 8, 0.2M LiSO4, 0.8M K2HPO4 NaH2PO4, vapor diffusion, temperature 293K	分辨率 2.00 Å R-free 0.246
4J52 Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor 提交 2013-02-07	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 38–330（293 aa）片段：catalytic domain (UNP residues 38-330)	突变：T210V	1J3 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide × 1 ZN ZINC ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.95 mM succinic acid, 1.7% PEG2000 MME, 0.4 mM zinc acetate, 100 mM HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.30 Å R-free 0.241
4J53 Crystal structure of PLK1 in complex with TAK-960 提交 2013-02-07	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 38–330（293 aa）片段：catalytic domain (UNP residues 38-330)	突变：T210V	ZN ZINC ION × 1 ACT ACETATE ION × 1 1J4 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.95 mM succinic acid, 1.7% PEG2000 MME, 0.4 mM zinc acetate, 100 mM HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.50 Å R-free 0.240
4LKL Crystal structure of Plk1 Polo-box domain in complex with PL-55 提交 2013-07-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 372–593（222 aa）片段：Polo-box domain, UNP residues 372-593	未记录	ADM ADAMANTANE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；0.2M calcium acetate, 20% PEG3350, pH 7.5, vapor diffusion, temperature 293K	分辨率 1.58 Å R-free 0.255
4LKM Crystal structure of Plk1 Polo-box domain in complex with PL-74 提交 2013-07-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–601（231 aa）片段：Polo-box domain, UNP residues 371-601	未记录	SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4；293 K；0.2M sodium citrate, 500mM ammonium sulfate, pH 4.0, vapor diffusion, temperature 293K	分辨率 2.00 Å R-free 0.235
4LKM Crystal structure of Plk1 Polo-box domain in complex with PL-74 提交 2013-07-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 371–601（231 aa）片段：Polo-box domain, UNP residues 371-601	未记录	SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4；293 K；0.2M sodium citrate, 500mM ammonium sulfate, pH 4.0, vapor diffusion, temperature 293K	分辨率 2.00 Å R-free 0.235
4O56 Structure of PLK1 in complex with peptide 提交 2013-12-19	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 367–603（237 aa）片段：UNP RESIDUES 367-603	未记录	PO4 PHOSPHATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；2M Ammonium sulfate, 100mM Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.80 Å R-free 0.201
4O6W Peptide-Based Inhibitors of Plk1 Polo-box Domain 提交 2013-12-23	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）片段：Polo box domain (UNP residues 371-603)	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；13% (w/v) PEG 3350, 0.1 M HEPES pH 7.5 and 100 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.45 Å R-free 0.215
4O9W Crystal structure of polo-like kinase(PLK1)PBD in complex with phospho peptide 提交 2014-01-03	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 373–594（222 aa）片段：UNP RESIDUES 373-594	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；295 K；200mM potassium iodide, 100mM MES, 25% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 1.69 Å R-free 0.240
4RCP Crystal structure of Plk1 Polo-box domain in complex with PL-2 提交 2014-09-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 372–599（228 aa）片段：unp residues 372-599	未记录	EDO 1,2-ETHANEDIOL × 10	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4；293 K；0.2M sodium citrate pH 4.0, 500mM ammonium sulfate, vapor diffusion, temperature 293K	分辨率 1.60 Å R-free 0.204
4WHH A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1 提交 2014-09-22	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）片段：UNP RESIDUES 371-603	未记录	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1M HEPES, 2.0M Ammonium sulfate	分辨率 1.90 Å R-free 0.236
4WHK A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1 提交 2014-09-23	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）片段：UNP RESIDUES 371-603	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.4M K-Na tartrate	分辨率 1.80 Å R-free 0.197
4WHL A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1 提交 2014-09-23	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）片段：UNP RESIDUES 371-603	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 3.5；293 K；0.1M Citric acid, 28% PEG8000	分辨率 2.71 Å R-free 0.245
4X9R PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B 提交 2014-12-11	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）片段：Polo-box domain residues 371-603	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；291 K；Frozen stocks of protein at 37 mg/mL in 10 mM TRIS pH8, 0.5 M NaCl, 10 mM DTT were thawed and diluted to 10 mg/ml with the same buffer. Complexes with each of three macrocycle compounds (3b, 3c and 4b) were prepared by adding 100 mM stocks of the macrocycle in DMSO directly to the diluted protein to achieve a final concentration of 1 mM. Crystals were grown by hanging drop vapor diffusion, with drops made by mixing equal volumes of protein-macrocycle complex and well solution containing 2-6% PEG-3350. Crystals were cryo-protected by quickly dipping in a solution of 37.5% ethylene glycol in well solution and frozen in liquid nitrogen	分辨率 1.40 Å R-free 0.179
4X9V PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3C 提交 2014-12-11	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）片段：POLO box domain residues 371-603	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；291 K；Frozen stocks of protein at 37 mg/mL in 10 mM TRIS pH8, 0.5 M NaCl, 10 mM DTT were thawed and diluted to 10 mg/ml with the same buffer. Complexes with each of three macrocycle compounds (3b, 3c and 4b) were prepared by adding 100 mM stocks of the macrocycle in DMSO directly to the diluted protein to achieve a final concentration of 1 mM. Crystals were grown by hanging drop vapor diffusion, with drops made by mixing equal volumes of protein-macrocycle complex and well solution containing 2-6% PEG-3350. Crystals were cryo-protected by quickly dipping in a solution of 37.5% ethylene glycol in well solution and frozen in liquid nitrogen	分辨率 1.43 Å R-free 0.173
4X9W PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 4C 提交 2014-12-11	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）片段：POLO box domain residues 371-603	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 8；291 K；Frozen stocks of protein at 37 mg/mL in 10 mM TRIS pH8, 0.5 M NaCl, 10 mM DTT were thawed and diluted to 10 mg/ml with the same buffer. Complexes with each of three macrocycle compounds (3b, 3c and 4b) were prepared by adding 100 mM stocks of the macrocycle in DMSO directly to the diluted protein to achieve a final concentration of 1 mM. Crystals were grown by hanging drop vapor diffusion, with drops made by mixing equal volumes of protein-macrocycle complex and well solution containing 2-6% PEG-3350. Crystals were cryo-protected by quickly dipping in a solution of 37.5% ethylene glycol in well solution and frozen in liquid nitrogen.	分辨率 1.80 Å R-free 0.239
5J19 phospho-Pon binding-induced Plk1 dimerization 提交 2016-03-29	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 367–594（228 aa）片段：Polo-box domain, UNP residues 367-594	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 5.5；289 K；PEG 3350, NaCOOH	分辨率 2.00 Å R-free 0.236
5J19 phospho-Pon binding-induced Plk1 dimerization 提交 2016-03-29	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 367–594（228 aa）片段：Polo-box domain, UNP residues 367-594	未记录	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 5.5；289 K；PEG 3350, NaCOOH	分辨率 2.00 Å R-free 0.236
5NEI The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 提交 2017-03-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 371–603（233 aa）片段：UNP residues Polo-box domain, 371-603	未记录	8VB 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；292 K；10% PEG 3350, 100 mM Na/K tartrate	分辨率 2.68 Å R-free 0.248
5NFU The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LHSpTA peptide 提交 2017-03-16	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–602（232 aa）片段：UNP residues 371-602	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7；293 K；0.1 M HEPES 7 30% Jeffamine ED-2001	分辨率 1.81 Å R-free 0.202
5NJE The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. 提交 2017-03-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 371–603（233 aa）片段：Polo-box domain, UNP residues 371-603	未记录	8Z5 Alpha-Bromo-3-Iodotoluene × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；298 K；200 mM K/Na Tartrate, 10-20 % PEG3350	分辨率 1.98 Å R-free 0.266
5NMM The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene. 提交 2017-04-06	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 371–603（233 aa）	未记录	8Z5 Alpha-Bromo-3-Iodotoluene × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；200 mM K/Na Tartrate, 20% PEG3350	分辨率 2.02 Å R-free 0.237
5NN1 The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) 提交 2017-04-07	构建体不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 371–603（233 aa）片段：Polo-box domain, UNP residues 371-603	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；298 K；200 mM Na/K Tartrate, 10-20% PEG3350	分辨率 1.78 Å R-free 0.245
5NN2 The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 提交 2017-04-07	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 371–594（224 aa）片段：Polo-box domain, UNP residues 371-603	未记录	Z24 (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；200 mM K/Na Tartrate, 10-20% PEG3350	分辨率 1.81 Å R-free 0.219
5TA6 Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor. 提交 2016-09-09	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 13–345（333 aa）片段：UNP residues 13-345	未记录	79D 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；0.95 mM succinic acid, 1.7% PEG2000 MME, 0.4 mM zinc acetate, 100 mM HEPES, pH 7.0, temperature 277K	分辨率 2.50 Å R-free 0.260
5TA8 Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor 提交 2016-09-09	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 13–345（333 aa）片段：UNP residues 13-345	未记录	ZN ZINC ION × 1 79C 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；0.95 mM succinic acid, 1.7% PEG2000 MME, 0.4 mM zinc acetate, 100 mM HEPES, pH 7.0, temperature 277K	分辨率 2.60 Å R-free 0.247
6AX4 Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b. 提交 2017-09-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）片段：UNP residues 367-603	未记录	AML AMYLAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；Well solution: 0.2 M Calcium Chloride, 12.5% PEG-3350 Protein: 10 mg/ml PBD-macrocycle complex in 0.5 M Sodium Chloride, 10 mM TRIS pH 8.0, 0.4 M ammonium acetate 1:1 mix of protein complex and well solution	分辨率 1.45 Å R-free 0.166
6GY2 Crystal structure of human Plk1-PBD in complex with WSSSLATPPTLSSpTVLI phosphopeptide from BRCA2 提交 2018-06-28	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 365–603（239 aa）	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG 3350, BisTris, DTT	分辨率 3.11 Å R-free 0.215
6GY2 Crystal structure of human Plk1-PBD in complex with WSSSLATPPTLSSpTVLI phosphopeptide from BRCA2 提交 2018-06-28	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 365–603（239 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；PEG 3350, BisTris, DTT	分辨率 3.11 Å R-free 0.215
7MSO Crystal Structure of Polo Box Domain in Complex with Cyclic Peptide Inhibitor 提交 2021-05-11	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 5.5；298 K；0.1 M Bis-Tris pH 5.5, 2.75 M NaCl	分辨率 1.85 Å R-free 0.210
7MSO Crystal Structure of Polo Box Domain in Complex with Cyclic Peptide Inhibitor 提交 2021-05-11	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 371–603（233 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 EVAPORATION；pH 5.5；298 K；0.1 M Bis-Tris pH 5.5, 2.75 M NaCl	分辨率 1.85 Å R-free 0.210
7MX1 PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog 提交 2021-05-17	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–603（233 aa）片段：UNP residues 367-603	未记录	ZOY N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M. CaCl2, 15% PEG-3350	分辨率 1.64 Å R-free 0.204
7MX1 PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog 提交 2021-05-17	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 371–603（233 aa）片段：UNP residues 367-603	未记录	ZOY N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M. CaCl2, 15% PEG-3350	分辨率 1.64 Å R-free 0.204
8BJT Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one 提交 2022-11-06	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 37–330（294 aa）	未记录	ACT ACETATE ION × 1 8X7 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；16% w/v PEG4000, 0.1 M Na citrate pH 6.50, 0.6 M Mg acetate, 0.0003 M Zn acetate	分辨率 2.19 Å R-free 0.255
8CRC Structure of human Plk1 PBD in complex with Allopole-A 提交 2023-03-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 371–594（224 aa）	未记录	GOL GLYCEROL × 1 VIH 7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；12% (w/v) PEG 3350, 0.1 M MES	分辨率 1.65 Å R-free 0.219
8JOQ Plk1 polo-box domain bound to HPV18 L2 residues 209-215 with pThr213 提交 2023-06-08	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）片段：polo-box domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；291 K；0.1M malate MES Tris buffer pH 6.5, 25% polyethylene glycol 1500	分辨率 1.80 Å R-free 0.250
8JOY Plk1 polo-box domain bound to HPV4 L2 residues 251-257 with pThr255 提交 2023-06-09	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 371–594（224 aa）片段：polo-box domain	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；291 K；0.1M malate MES Tris buffer pH 6.5, 25% polyethylene glycol 1500	分辨率 2.61 Å R-free 0.255
8S30 Crystal structure of human PLK1 Polo-Box Domain in complex with Mis18 提交 2024-02-19	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 365–603（239 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；291 K；0.09 M Halogen mix (NaF, NaBr, NaI), 0.1 M buffer system 2 (Sodium HEPES and MOPS) (pH7.5), 37% precipitant mix MPD_P1K_P3350 (MPD (racemic), PEG 1K, PEG 3350)	分辨率 1.94 Å R-free 0.271
8S31 Crystal structure of human PLK1 Polo-Box Domain in complex with Mis18BP1 提交 2024-02-19	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 365–603（239 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；291 K；50 mM MES (pH 6.0), 20 mM Sodium Oxalate, 1.2 M Sodium Malonate	分辨率 2.13 Å R-free 0.224
8S31 Crystal structure of human PLK1 Polo-Box Domain in complex with Mis18BP1 提交 2024-02-19	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 365–603（239 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；291 K；50 mM MES (pH 6.0), 20 mM Sodium Oxalate, 1.2 M Sodium Malonate	分辨率 2.13 Å R-free 0.224
8WFP Crystal structure of polo-like kinase(PLK1)PBD in complex with DD-1 提交 2023-09-20	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 373–596（224 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；5% PEG 3350, 10% Tacsimate pH 8.0	分辨率 1.99 Å R-free 0.229
8WFP Crystal structure of polo-like kinase(PLK1)PBD in complex with DD-1 提交 2023-09-20	构建体不同聚集状态不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 373–596（224 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；5% PEG 3350, 10% Tacsimate pH 8.0	分辨率 1.99 Å R-free 0.229
8X72 The Crystal Structure of PLK1 from Biortus. 提交 2023-11-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 13–345（333 aa）	未记录	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ZN ZINC ION × 1 ACT ACETATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；0.5M MgAc2, 12% PEG 4000, 0.3mM ZnAc2	分辨率 2.20 Å R-free 0.250
8XB9 The Crystal Structure of polo-box domain of PLK1 from Biortus. 提交 2023-12-06	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 371–603（233 aa）片段：UNP RESIDUES 371-603	未记录	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；31% PEG3350, 0.1M Bis Tris pH 5.8	分辨率 1.95 Å R-free 0.245
9D0P Crystal structure of PLK1 in complex with AZD1775 提交 2024-08-07	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 13–345（333 aa）	突变：T210V	8X7 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one × 1 ZN ZINC ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；3% to 16% PEG 3350-6000 and 0.2 to 0.5 M sodium malonate	分辨率 2.65 Å R-free 0.290
9FJG Two PLK1 PBD proteins bound to CENP-U(58-114) phosphorylated at Thr98 提交 2024-05-31	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 345–603（259 aa）链 B 345–603（259 aa）	未记录	PG4 TETRAETHYLENE GLYCOL × 3 FLC CITRATE ANION × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.2；293 K；0.02M Na3-citrate, 0.08 M NaH2(PO4) pH6.2, 18 v/v% PEG2000	分辨率 2.00 Å R-free 0.242
9FJH Two PLK1 PBD proteins bound to CENP-U(58-114) phosphorylated at Thr78 and Thr98 提交 2024-05-31	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 345–603（259 aa）链 B 345–603（259 aa）	未记录	PGE TRIETHYLENE GLYCOL × 2 PG4 TETRAETHYLENE GLYCOL × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；0.2M NaCl, 0.1 M CHES pH9.5, 10 v/v% PEG8000	分辨率 2.15 Å R-free 0.250
9FJI Two PLK1 PBD proteins bound to CENP-U(58-114) phosphorylated at Thr98 提交 2024-05-31	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 345–603（259 aa）链 B 345–603（259 aa）	未记录	GOL GLYCEROL × 1 PG4 TETRAETHYLENE GLYCOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.2；293 K；0.02M Na3-citrate, 0.08 M NaH2(PO4) pH6.2, 18 v/v% PEG2000	分辨率 2.10 Å R-free 0.243
9FJJ Two PLK1 PBD proteins bound to CENP-U(39-114) phosphorylated at Thr78 and Thr98 提交 2024-05-31	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 345–603（259 aa）链 B 345–603（259 aa）	未记录	PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；0.2M tri-Lithium citrate, 20 v/v% PEG3350	分辨率 2.00 Å R-free 0.242
9QMO PLK1 PBD apo protein at 1.6A 提交 2025-03-24	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 345–603（259 aa）	未记录	PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293.15 K；0.2M Na2H(PO4), 20%PEG3350	分辨率 1.60 Å R-free 0.228
9R1W PLK1 SURFACE ENTROPY REDUCTION (SER) MUTANT IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1 提交 2025-04-28	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 AAA 18–340（323 aa）链 BBB 18–340（323 aa）	突变：K225D, K226A 突变：K225D, K226A	A1JCP (2~{Z})-2-cyano-2-[3-ethyl-5-[(~{E})-[2-[methyl-(1-methylpiperidin-4-yl)amino]pyridin-4-yl]iminomethyl]-4-oxidanylidene-1,3-thiazol-2-ylidene]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide × 2 SO4 SULFATE ION × 6 GOL GLYCEROL × 5 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；sodium acetate, ammonium sulphate, MES	分辨率 2.20 Å R-free 0.216
9R1X PLK1 SURFACE ENTROPY REDUCTION (SER) MUTANT IN COMPLEX WITH INHIBITOR BI 2536 提交 2025-04-28	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 18–340（323 aa）链 B 18–340（323 aa）	未记录	R78 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 2 SO4 SULFATE ION × 7 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；sodium acetate, ammonium sulphate, MES	分辨率 2.84 Å R-free 0.277
9R1Y PLK1 SURFACE ENTROPY REDUCTION (SER) MUTANT IN COMPLEX WITH INHIBITOR GSK461364 提交 2025-04-28	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 AAA 18–340（323 aa）链 BBB 18–340（323 aa）	突变：K225D, K226A 突变：K225D, K226A	A1JCQ 5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1~{R})-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide × 2 SO4 SULFATE ION × 8 CL CHLORIDE ION × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；sodium acetate, ammonium sulphate, MES	分辨率 2.60 Å R-free 0.218
9R8B CRYSTAL STRUCTURE OF WILD-TYPE PLK1 KINASE DOMAIN IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1 AND A SELECTIVE DARPIN 提交 2025-05-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 33–345（313 aa）	未记录	A1JCP (2~{Z})-2-cyano-2-[3-ethyl-5-[(~{E})-[2-[methyl-(1-methylpiperidin-4-yl)amino]pyridin-4-yl]iminomethyl]-4-oxidanylidene-1,3-thiazol-2-ylidene]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；303 K；0.1 M TRIS-HCL PH 8.0, 8% PEG 5000 MME, 0.01 M EDTA SODIUM SALT AT 303 K.	分辨率 2.20 Å R-free 0.238
9R8B CRYSTAL STRUCTURE OF WILD-TYPE PLK1 KINASE DOMAIN IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1 AND A SELECTIVE DARPIN 提交 2025-05-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 33–345（313 aa）	未记录	A1JCP (2~{Z})-2-cyano-2-[3-ethyl-5-[(~{E})-[2-[methyl-(1-methylpiperidin-4-yl)amino]pyridin-4-yl]iminomethyl]-4-oxidanylidene-1,3-thiazol-2-ylidene]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；303 K；0.1 M TRIS-HCL PH 8.0, 8% PEG 5000 MME, 0.01 M EDTA SODIUM SALT AT 303 K.	分辨率 2.20 Å R-free 0.238
9R8C CRYSTAL STRUCTURE OF WILD-TYPE PLK1 KINASE DOMAIN IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1 AND A SELECTIVE DARPIN 提交 2025-05-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 33–345（313 aa）	未记录	R78 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；303 K；0.1 M TRIS-HCL PH 8.0, 8% PEG 5000 MME, 0.01 M EDTA SODIUM SALT	分辨率 2.24 Å R-free 0.236
9R8C CRYSTAL STRUCTURE OF WILD-TYPE PLK1 KINASE DOMAIN IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1 AND A SELECTIVE DARPIN 提交 2025-05-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 33–345（313 aa）	未记录	R78 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；303 K；0.1 M TRIS-HCL PH 8.0, 8% PEG 5000 MME, 0.01 M EDTA SODIUM SALT	分辨率 2.24 Å R-free 0.236

共 84 个其他 PDB 条目、112 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	PLK1_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–239； UniProt 365–603

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	2ogq
沉积日期 deposition_date	2007-01-08
结构标题 title	Molecular and structural basis of Plk1 substrate recognition: Implications in centrosomal localization
关键词 keywords	Polo Box domain, TRANSFERASE; TRANSFERASE
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	19.28 Å
回转半径 Rg (电子) rg_electron	18.17 Å
零角强度 I(0) i0	10834700.00
分子量 molecular_weight	24497.0 kDa
排除体积 excluded_volume	30698 Å³
包络体积 envelope_volume	35258 Å³
水化壳体积 shell_volume	16815 Å³
包络直径 envelope_diameter	69.3 Å
壳层 Rg shell_rg	23.78 Å
包络 Rg envelope_rg	18.44 Å
形状 Rg shape_rg	18.15 Å
总 Rg total_rg	19.10 Å
总原子数 total_atoms	1722
残基数 n_residues	211
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	69.6 Å
Rg (实空间) rg_real	19.29 Å
Rg 误差 (实空间) rg_real_error	0.50 Å
I(0) (实空间) i0_real	1.0830e+07
I(0) 误差 (实空间) i0_real_error	1.2390e+05
Rg (倒空间) rg_reciprocal	19.29 Å
I(0) (倒空间) i0_reciprocal	10830000.0000
解质量估计 total_estimate	0.7567
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	68.6 Å
偏度 Skewness skewness	0.423
峰度 Kurtosis kurtosis	-0.104
角度范围 angular_range	— – 0.4100 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	2855000.0000
实空间数据点数 n_real_points	72
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.643; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.902; Smooth: 0.000

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (2)

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7. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

结构域编号 domain_id	d2ogqa1
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.223 — Polo-box domain
超家族 Superfamily superfamily	d.223.1 — Polo-box domain
家族 Family family	d.223.1.2 — Polo-box duplicated region

结构域编号 domain_id	d2ogqa2
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.223 — Polo-box domain
超家族 Superfamily superfamily	d.223.1 — Polo-box domain
家族 Family family	d.223.1.2 — Polo-box duplicated region

CATH v4.4 (2 domains)

结构域编号 domain_id	2ogqA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1120 — Arylsulfatase, C-terminal domain
同源超家族 H-superfamily homologous superfamily	30 — POLO box domain

结构域编号 domain_id	2ogqA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	1120 — Arylsulfatase, C-terminal domain
同源超家族 H-superfamily homologous superfamily	30 — POLO box domain

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8. 引用文献 (1)

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晶胞边长 a length_a	77.051 Å
晶胞边长 b length_b	99.017 Å
晶胞边长 c length_c	33.190 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	4

空间群 space_group	P 21 21 2
空间群编号 int_tables_number	18
晶系 crystal_system	—

分辨率 resolution	1.950 Å
最低分辨率 resolution_low	60.860 Å
R 因子 r_factor	0.1622
R_work r_work	0.1591
R_free r_free	0.2213

描述 description	Serine/threonine-protein kinase PLK1
分子量 formula_weight	27502.3 kDa
EC 编号 ec_number	2.7.11.21
来源方法 src_method	man
拷贝数 entity_count	1

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	1915

Molecular and structural basis of Plk1 substrate recognition: Implications in centrosomal localization

1. 蛋白身份与相关结构 Protein Identity & Related Structures

Serine/threonine-protein kinase PLK1

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

5. 晶体学与实验 5. Crystallography & Experiment

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

6. 实体与聚合物信息 Entities & Polymers (2)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 water

7. 折叠分类 (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

8. 引用文献 (1)

9. 文件与曲线 (10)

Files (7)

Curves (3)

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	193

fit	/app/data/saxs_computation/og/2ogq/2ogq.fit
pddf	/app/data/pr_computation/og/2ogq/2ogq.pr.out
profile	/app/data/saxs_computation/og/2ogq/2ogq.dat