7ni3

CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 3

Method: X-RAY DIFFRACTION D_max: 110.5 Å Quality: GOOD

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

Myeloperoxidase

物种未注明

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	其他组合同源多聚体蛋白 × 2 其他聚合物 1 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 167–271 链 C； UniProt 279–744	片段：UNP RESIDUES 167-271 片段：UNP RESIDUES 279-744 非标准单体：是（mmCIF未提供具体位点）	;beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 3 UE8 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；18% PEG 3350, 100 MM NACL, PROTEIN IN 50 MM AMMONIUM ACETATE, 2 MM CACL, 20 MM SODIUM ACETATE PH 5.5	分辨率 2.10 Å R-free 0.224
2	其他组合同源多聚体蛋白 × 2 其他聚合物 1 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 B； UniProt 167–271 链 D； UniProt 279–744	片段：UNP RESIDUES 167-271 片段：UNP RESIDUES 279-744 非标准单体：是（mmCIF未提供具体位点）	;beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 2 UE8 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；18% PEG 3350, 100 MM NACL, PROTEIN IN 50 MM AMMONIUM ACETATE, 2 MM CACL, 20 MM SODIUM ACETATE PH 5.5	分辨率 2.10 Å R-free 0.224

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 7NI3	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
1CXP CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C 提交 1999-08-30	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 167–270（104 aa）片段：LIGHT CHAIN 链 B 167–270（104 aa）片段：LIGHT CHAIN 链 C 279–744（466 aa）片段：HEAVY CHAIN 链 D 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 SO4 SULFATE ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 ACT ACETATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；POLYETHYLENE GLYCOL 8000, AMMONIUM SULFATE, SODIUM ACETATE, CALCIUM CHLORIDE, pH 5.50, VAPOR DIFFUSION, HANGING DROP	分辨率 1.80 Å R-free 0.239
1CXP CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C 提交 1999-08-30	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–270（104 aa）片段：LIGHT CHAIN 链 C 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；POLYETHYLENE GLYCOL 8000, AMMONIUM SULFATE, SODIUM ACETATE, CALCIUM CHLORIDE, pH 5.50, VAPOR DIFFUSION, HANGING DROP	分辨率 1.80 Å R-free 0.239
1CXP CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C 提交 1999-08-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 167–270（104 aa）片段：LIGHT CHAIN 链 D 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；POLYETHYLENE GLYCOL 8000, AMMONIUM SULFATE, SODIUM ACETATE, CALCIUM CHLORIDE, pH 5.50, VAPOR DIFFUSION, HANGING DROP	分辨率 1.80 Å R-free 0.239
1D2V CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 提交 1999-09-28	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 167–270（104 aa）片段：LIGHT CHAIN 链 B 167–270（104 aa）片段：LIGHT CHAIN 链 C 279–744（466 aa）片段：HEAVY CHAIN 链 D 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	BR BROMIDE ION × 8 SO4 SULFATE ION × 3 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ACT ACETATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate, sodium bromide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.75 Å R-free 0.296
1D2V CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 提交 1999-09-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 167–270（104 aa）片段：LIGHT CHAIN 链 D 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）	BR BROMIDE ION × 4 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate, sodium bromide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.75 Å R-free 0.296
1D2V CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 提交 1999-09-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–270（104 aa）片段：LIGHT CHAIN 链 C 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）	BR BROMIDE ION × 4 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate, sodium bromide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.75 Å R-free 0.296
1D5L CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 提交 1999-10-07	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 167–270（104 aa）片段：LIGHT CHAIN 链 B 167–270（104 aa）片段：LIGHT CHAIN 链 C 279–744（466 aa）片段：HEAVY CHAIN 链 D 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 SO4 SULFATE ION × 3 CYN CYANIDE ION × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 ACT ACETATE ION × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium chloride, sodium cyanide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.215
1D5L CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 提交 1999-10-07	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 167–270（104 aa）片段：LIGHT CHAIN 链 D 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 CYN CYANIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium chloride, sodium cyanide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.215
1D5L CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5 提交 1999-10-07	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–270（104 aa）片段：LIGHT CHAIN 链 C 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 CYN CYANIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 ACT ACETATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium chloride, sodium cyanide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.215
1D7W CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0 提交 1999-10-20	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 167–270（104 aa）片段：LIGHT CHAIN 链 B 167–270（104 aa）片段：LIGHT CHAIN 链 C 279–744（466 aa）片段：HEAVY CHAIN 链 D 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	BR BROMIDE ION × 8 SO4 SULFATE ION × 5 CYN CYANIDE ION × 2 ACT ACETATE ION × 12 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate, sodium cyanide, sodium bromide, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.270
1D7W CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0 提交 1999-10-20	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 167–270（104 aa）片段：LIGHT CHAIN 链 D 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）	BR BROMIDE ION × 4 SO4 SULFATE ION × 2 CYN CYANIDE ION × 1 ACT ACETATE ION × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate, sodium cyanide, sodium bromide, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.270
1D7W CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0 提交 1999-10-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–270（104 aa）片段：LIGHT CHAIN 链 C 279–744（466 aa）片段：HEAVY CHAIN	非标准单体：是（mmCIF未提供具体位点）	BR BROMIDE ION × 4 SO4 SULFATE ION × 3 CYN CYANIDE ION × 1 ACT ACETATE ION × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4；289 K；polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate, sodium cyanide, sodium bromide, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.270
1DNU STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX 提交 1999-12-16	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 167–270（104 aa）片段：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104 链 B 167–270（104 aa）片段：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104 链 C 279–744（466 aa）片段：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578 链 D 279–744（466 aa）片段：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	SCN THIOCYANATE ION × 4 SO4 SULFATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACY ACETIC ACID × 6	X-RAY DIFFRACTION X-ray结晶条件 Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Crystal is grown from sodium acetate, ammonium sulfate calcium chloride, and Peg MW 8000. It was subsequently equilibrated with a substitute mother liquor which contained sodium thiocyanate., pH 5.5, Vapor Diffusion, Hanging Drop with Macro Seeding, temperature 22K	分辨率 1.85 Å R-free 0.210
1DNU STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX 提交 1999-12-16	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 167–270（104 aa）片段：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104 链 D 279–744（466 aa）片段：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578	非标准单体：是（mmCIF未提供具体位点）	SCN THIOCYANATE ION × 2 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACY ACETIC ACID × 3	X-RAY DIFFRACTION X-ray结晶条件 Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Crystal is grown from sodium acetate, ammonium sulfate calcium chloride, and Peg MW 8000. It was subsequently equilibrated with a substitute mother liquor which contained sodium thiocyanate., pH 5.5, Vapor Diffusion, Hanging Drop with Macro Seeding, temperature 22K	分辨率 1.85 Å R-free 0.210
1DNU STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX 提交 1999-12-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–270（104 aa）片段：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104 链 C 279–744（466 aa）片段：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578	非标准单体：是（mmCIF未提供具体位点）	SCN THIOCYANATE ION × 2 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACY ACETIC ACID × 3	X-RAY DIFFRACTION X-ray结晶条件 Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Crystal is grown from sodium acetate, ammonium sulfate calcium chloride, and Peg MW 8000. It was subsequently equilibrated with a substitute mother liquor which contained sodium thiocyanate., pH 5.5, Vapor Diffusion, Hanging Drop with Macro Seeding, temperature 22K	分辨率 1.85 Å R-free 0.210
1DNW HUMAN MYELOPEROXIDASE-CYANIDE-THIOCYANATE COMPLEX 提交 1999-12-16	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 167–270（104 aa）片段：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104 链 B 167–270（104 aa）片段：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104 链 C 279–744（466 aa）片段：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578 链 D 279–744（466 aa）片段：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	SCN THIOCYANATE ION × 4 SO4 SULFATE ION × 3 CYN CYANIDE ION × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACY ACETIC ACID × 6	X-RAY DIFFRACTION X-ray结晶条件 Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Co-crystal grown from sodium cyanide, sodium acetate, ammonium, sulfate, calcium chloride, and PEG MW 8000. It was subsequently equilibrated with a substitute mother liquor containing sodium thiocyanate, pH 5.5, Vapor Diffusion, Hanging Drop with Macro Seeding, temperature 22K	分辨率 1.90 Å R-free 0.224
1DNW HUMAN MYELOPEROXIDASE-CYANIDE-THIOCYANATE COMPLEX 提交 1999-12-16	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–270（104 aa）片段：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104 链 C 279–744（466 aa）片段：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578	非标准单体：是（mmCIF未提供具体位点）	SCN THIOCYANATE ION × 2 SO4 SULFATE ION × 2 CYN CYANIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACY ACETIC ACID × 3	X-RAY DIFFRACTION X-ray结晶条件 Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Co-crystal grown from sodium cyanide, sodium acetate, ammonium, sulfate, calcium chloride, and PEG MW 8000. It was subsequently equilibrated with a substitute mother liquor containing sodium thiocyanate, pH 5.5, Vapor Diffusion, Hanging Drop with Macro Seeding, temperature 22K	分辨率 1.90 Å R-free 0.224
1DNW HUMAN MYELOPEROXIDASE-CYANIDE-THIOCYANATE COMPLEX 提交 1999-12-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 167–270（104 aa）片段：MYELOPEROXIDASE LIGHT CHAIN CONTAINING RESIDUES 1 TO 104 链 D 279–744（466 aa）片段：MYELOPEROXIDASE HEAVY CHAIN CONTAINING RESIDUES 113 TO 578	非标准单体：是（mmCIF未提供具体位点）	SCN THIOCYANATE ION × 2 SO4 SULFATE ION × 1 CYN CYANIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ACY ACETIC ACID × 3	X-RAY DIFFRACTION X-ray结晶条件 Vapor Diffusion, Hanging Drop with Macro Seeding；pH 5.5；295 K；Co-crystal grown from sodium cyanide, sodium acetate, ammonium, sulfate, calcium chloride, and PEG MW 8000. It was subsequently equilibrated with a substitute mother liquor containing sodium thiocyanate, pH 5.5, Vapor Diffusion, Hanging Drop with Macro Seeding, temperature 22K	分辨率 1.90 Å R-free 0.224
1MHL CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C CRYSTALLIZED IN SPACE GROUP P2(1) AT PH 5.5 AND 20 DEG C 提交 1995-06-09	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 1 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 165–272（108 aa）链 B 165–272（108 aa）链 C 279–744（466 aa）链 D 279–744（466 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；pH 5.5	分辨率 2.25 Å
1MHL CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C CRYSTALLIZED IN SPACE GROUP P2(1) AT PH 5.5 AND 20 DEG C 提交 1995-06-09	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 2 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 165–272（108 aa）链 D 279–744（466 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；pH 5.5	分辨率 2.25 Å
1MHL CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C CRYSTALLIZED IN SPACE GROUP P2(1) AT PH 5.5 AND 20 DEG C 提交 1995-06-09	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 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 165–272（108 aa）链 C 279–744（466 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；pH 5.5	分辨率 2.25 Å
1MYP X-RAY CRYSTAL STRUCTURE OF CANINE MYELOPEROXIDASE AT 3 ANGSTROMS RESOLUTION 提交 1992-04-15	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 1 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 165–272（108 aa）链 B 165–272（108 aa）链 C 279–744（466 aa）链 D 279–744（466 aa）	未记录	CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.00 Å
3F9P Crystal structure of myeloperoxidase from human leukocytes 提交 2008-11-14	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 165–278（114 aa）片段：Light chain: UNP residues 165-278 链 C 279–745（467 aa）片段：Heavy chain: UNP residues 279-745	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.93 Å R-free 0.257
3F9P Crystal structure of myeloperoxidase from human leukocytes 提交 2008-11-14	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 165–278（114 aa）片段：Light chain: UNP residues 165-278 链 D 279–745（467 aa）片段：Heavy chain: UNP residues 279-745	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.93 Å R-free 0.257
3ZS0 Human Myeloperoxidase inactivated by TX2 提交 2011-06-21	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 70–177（108 aa）链 B 70–177（108 aa）链 C 184–650（467 aa）链 D 184–650（467 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	SO4 SULFATE ION × 3 ZS0 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2 CL CHLORIDE ION × 2 ACT ACETATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；pH 5.5	分辨率 2.30 Å R-free 0.207
3ZS1 Human Myeloperoxidase inactivated by TX5 提交 2011-06-21	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 70–183（114 aa）链 D 184–650（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PVW 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE × 1 SO4 SULFATE ION × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；16-17% PEG3350, 100 MM NACL, pH 5.5	分辨率 2.60 Å R-free 0.244
3ZS1 Human Myeloperoxidase inactivated by TX5 提交 2011-06-21	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 70–183（114 aa）链 C 184–650（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PVW 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE × 1 SO4 SULFATE ION × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；16-17% PEG3350, 100 MM NACL, pH 5.5	分辨率 2.60 Å R-free 0.244
4C1M Myeloperoxidase in complex with the revesible inhibitor HX1 提交 2013-08-13	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 165–272（108 aa）链 D 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NIH 2-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL]AMINO}-N-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å R-free 0.278
4C1M Myeloperoxidase in complex with the revesible inhibitor HX1 提交 2013-08-13	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 165–272（108 aa）链 C 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NIH 2-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL]AMINO}-N-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXAMIDE × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å R-free 0.278
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 167–270（104 aa）链 B 167–270（104 aa）链 C 279–744（466 aa）链 D 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 10 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 J 167–270（104 aa）链 L 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 11 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 M 167–270（104 aa）链 O 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	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 12 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 N 167–270（104 aa）链 P 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 E 167–270（104 aa）链 F 167–270（104 aa）链 G 279–744（466 aa）链 H 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	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 3 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 I 167–270（104 aa）链 J 167–270（104 aa）链 K 279–744（466 aa）链 L 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	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 4 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 M 167–270（104 aa）链 N 167–270（104 aa）链 O 279–744（466 aa）链 P 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 5 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–270（104 aa）链 C 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 6 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 167–270（104 aa）链 D 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 7 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 E 167–270（104 aa）链 G 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 8 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 F 167–270（104 aa）链 H 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4DL1 Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog 提交 2012-02-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 9 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 I 167–270（104 aa）链 K 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 0KY 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；298 K；27% PEG 3350, 0.25 M CaCl2, betaine HCl, pH 5.5, vapor diffusion, temperature 298K	分辨率 2.00 Å R-free 0.246
4EJX Structure of ceruloplasmin-myeloperoxidase complex 提交 2012-04-07	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 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 B 165–278（114 aa）片段：UNP residues 165-278 链 D 279–745（467 aa）片段：UNP residues 279-745	未记录	CU COPPER (II) ION × 7 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；280 K；40% MPD, 0.2 M potassium fluoride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K	分辨率 4.69 Å R-free 0.401
5FIW CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE AT 1.7 ANGSTROMS RESOLUTION 提交 2015-10-02	配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）片段：UNP RESIDUES 167-271 链 C 279–744（466 aa）片段：UNP RESIDUES 279-744	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；15% PEG 3350, 100 MM NACL, pH 6	分辨率 1.70 Å R-free 0.193
5FIW CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE AT 1.7 ANGSTROMS RESOLUTION 提交 2015-10-02	配体/离子不同实验环境不同结构质量不同	Assembly 2 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 167–271（105 aa）片段：UNP RESIDUES 167-271 链 D 279–744（466 aa）片段：UNP RESIDUES 279-744	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；15% PEG 3350, 100 MM NACL, pH 6	分辨率 1.70 Å R-free 0.193
5MFA Crystal structure of human promyeloperoxidase (proMPO) 提交 2016-11-17	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 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 49–745（697 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 5 PEG DI(HYDROXYETHYL)ETHER × 5 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295.15 K；10% w/v PEG20000, 20% PEG MME 550, 0.1 mM Tris-Bicine, pH 8.5, 0.05 mM CaCl2	分辨率 1.20 Å R-free 0.143
5QJ2 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE 提交 2018-09-26	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 167–271（105 aa）链 B 278–744（467 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 FUC alpha-L-fucopyranose × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 JXS 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.82 Å R-free 0.272
5QJ2 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE 提交 2018-09-26	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 D 167–271（105 aa）链 E 278–744（467 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 FUC alpha-L-fucopyranose × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 JXS 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.82 Å R-free 0.272
5QJ2 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE 提交 2018-09-26	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 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 F 167–271（105 aa）链 G 278–744（467 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 FUC alpha-L-fucopyranose × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 JXS 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.82 Å R-free 0.272
5QJ2 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE 提交 2018-09-26	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 4 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 167–271（105 aa）链 I 278–744（467 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.82 Å R-free 0.272
5QJ3 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-24 AKA 7-({4-CHLORO-3'-FLUORO-[1,1'- BIPHENYL]-3-YL}METHOXY)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN- 5-AMINE 提交 2018-09-26	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）链 B 278–744（467 aa）	未记录	CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 JXP 7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.76 Å R-free 0.228
5QJ3 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-24 AKA 7-({4-CHLORO-3'-FLUORO-[1,1'- BIPHENYL]-3-YL}METHOXY)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN- 5-AMINE 提交 2018-09-26	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 167–271（105 aa）链 E 278–744（467 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.76 Å R-free 0.228
5UZU Immune evasion by a Staphylococcal Peroxidase Inhibitor that blocks myeloperoxidase 提交 2017-02-27	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 其他组合异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 72–649（578 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% w/v PEG-3350 0.2M ammonium citrate, pH 7.0	分辨率 2.40 Å R-free 0.241
5WDJ CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE 提交 2017-07-05	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 其他组合同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 167–271（105 aa）片段：UNP residues 167-271 链 B 184–649（466 aa）片段：UNP residues 183-649 链 D 167–271（105 aa）片段：UNP residues 167-271 链 E 184–649（466 aa）片段：UNP residues 183-649	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	AEY 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine × 2 CL CHLORIDE ION × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 CA CALCIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 2 MAN alpha-D-mannopyranose × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.40 Å R-free 0.248
6AZP A Structurally Dynamic N-terminal Region Drives Function of the Staphylococcal Peroxidase Inhibitor (SPIN) 提交 2017-09-11	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 其他组合异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 72–648（577 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BMA beta-D-mannopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% w/v PEG3350, 0.2 M ammonium citrate, pH 7.0	分辨率 2.29 Å R-free 0.229
6BMT Crystal Structure of a Recombinant form of Human Myeloperoxidase Bound to an Inhibitor from Staphylococcus delphini 提交 2017-11-15	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 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–745（745 aa）	未记录	CA CALCIUM ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M acetate, pH 4.5-4.6, 25% w/v PEG3350	分辨率 2.40 Å R-free 0.218
6WXZ CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE 提交 2020-05-12	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）链 B 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HEC HEME C × 1 UEY 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 MAN alpha-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.23 Å R-free 0.242
6WXZ CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE 提交 2020-05-12	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 167–271（105 aa）链 E 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HEC HEME C × 1 UEY 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 MAN alpha-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.23 Å R-free 0.242
6WY0 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2020-05-12	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）链 B 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 UFA 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.80 Å R-free 0.216
6WY0 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2020-05-12	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 167–271（105 aa）链 E 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 UFA 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.80 Å R-free 0.216
6WY0 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2020-05-12	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 F 167–271（105 aa）链 G 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 2 UFA 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.80 Å R-free 0.216
6WY0 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2020-05-12	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 4 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 167–271（105 aa）链 I 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 UFA 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.80 Å R-free 0.216
6WY5 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2020-05-12	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）链 B 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEC HEME C × 1 CL CHLORIDE ION × 2 CA CALCIUM ION × 1 UF7 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.90 Å R-free 0.245
6WY5 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2020-05-12	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 167–271（105 aa）链 E 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEC HEME C × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 UF7 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.90 Å R-free 0.245
6WY7 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2020-05-12	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）链 B 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 UFD 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.09 Å R-free 0.185
6WY7 CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2020-05-12	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 167–271（105 aa）链 E 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 1 HEC HEME C × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 UFD 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.09 Å R-free 0.185
6WYD CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid 提交 2020-05-12	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 167–271（105 aa）链 B 279–745（467 aa）	未记录	CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 1 HEC HEME C × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 7GD 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.55 Å R-free 0.254
6WYD CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid 提交 2020-05-12	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 D 167–271（105 aa）链 E 279–745（467 aa）	未记录	CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 1 HEC HEME C × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 7GD 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.55 Å R-free 0.254
6WYD CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid 提交 2020-05-12	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 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 F 167–271（105 aa）链 G 279–745（467 aa）	未记录	CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 FUC alpha-L-fucopyranose × 1 HEC HEME C × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 7GD 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.55 Å R-free 0.254
6WYD CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid 提交 2020-05-12	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 4 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 167–271（105 aa）链 I 279–745（467 aa）	未记录	CL CHLORIDE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 FUC alpha-L-fucopyranose × 1 HEC HEME C × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 7GD 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.55 Å R-free 0.254
7LAE CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-4 提交 2021-01-06	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）链 B 184–649（466 aa）	未记录	CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 FUC alpha-L-fucopyranose × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1 XRV 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.97 Å R-free 0.267
7LAE CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-4 提交 2021-01-06	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 2 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 167–271（105 aa）链 E 184–649（466 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 FUC alpha-L-fucopyranose × 1 BMA beta-D-mannopyranose × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1 XRV 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.97 Å R-free 0.267
7LAG CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2021-01-06	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）链 B 184–649（466 aa）	未记录	CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XSD 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.85 Å R-free 0.235
7LAG CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2021-01-06	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 167–271（105 aa）链 E 184–649（466 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XSD 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.85 Å R-free 0.235
7LAG CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2021-01-06	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 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 F 167–271（105 aa）链 G 184–649（466 aa）	未记录	CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XSD 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.85 Å R-free 0.235
7LAG CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine 提交 2021-01-06	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 4 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 167–271（105 aa）链 I 184–649（466 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 XSD 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.85 Å R-free 0.235
7LAL CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-18 AKA 7-(3-(2,3-DIHYDRO-1H-INDEN-1-YLAMINO)-1-PHENYLPROPYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE 提交 2021-01-06	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）链 B 184–649（466 aa）	未记录	CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.75 Å R-free 0.270
7LAL CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-18 AKA 7-(3-(2,3-DIHYDRO-1H-INDEN-1-YLAMINO)-1-PHENYLPROPYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE 提交 2021-01-06	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 167–271（105 aa）链 E 184–649（466 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MAN alpha-D-mannopyranose × 2 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 XSG 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.75 Å R-free 0.270
7LAN CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine 提交 2021-01-06	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）链 B 184–649（466 aa）	未记录	CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XS1 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.28 Å R-free 0.239
7LAN CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine 提交 2021-01-06	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 D 167–271（105 aa）链 E 184–649（466 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XS1 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.28 Å R-free 0.239
7LAN CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine 提交 2021-01-06	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 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 F 167–271（105 aa）链 G 184–649（466 aa）	未记录	CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1 XS1 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.28 Å R-free 0.239
7LAN CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-30 AKA 7-[(3~{S},4~{R},6~{R})-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1^{3,6}.1^{11,14}]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3~{H}-triazolo[4,5-b]pyridin-5-amine 提交 2021-01-06	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 4 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 H 167–271（105 aa）链 I 184–649（466 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1 XS1 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；296 K；0.1M Hepes pH 7.5, 150mM NaCl, 20-25%(V/V)PEG3350.Crystals were cryoprotected by supplementing the mother liquor with 15% (v/v) ethylene glycol and harvested by flash-cooling in liquid nitrogen	分辨率 2.28 Å R-free 0.239
7NI1 CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 9 提交 2021-02-11	配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 167–271（105 aa）片段：UNP RESIDUES 167-271 链 C 279–744（466 aa）片段：UNP RESIDUES 279-744	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 UEB (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one × 1 BMA beta-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；18% PEG 3350, 100 MM NACL, PROTEIN BUFFER CONTAINED 50 MM AMMOIUM SULPHATE, 20 MM AMMONIUM ACETATE PH 5.5 AND 2 MM CACL	分辨率 2.11 Å R-free 0.256
7NI1 CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 9 提交 2021-02-11	配体/离子不同实验环境不同结构质量不同	Assembly 2 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 167–271（105 aa）片段：UNP RESIDUES 167-271 链 D 279–744（466 aa）片段：UNP RESIDUES 279-744	非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 UEB (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one × 1 BMA beta-D-mannopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；18% PEG 3350, 100 MM NACL, PROTEIN BUFFER CONTAINED 50 MM AMMOIUM SULPHATE, 20 MM AMMONIUM ACETATE PH 5.5 AND 2 MM CACL	分辨率 2.11 Å R-free 0.256
7OIH Glycosylation in the crystal structure of neutrophil myeloperoxidase 提交 2021-05-11	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 166–744（579 aa）链 B 166–744（579 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 10 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 SCN THIOCYANATE ION × 3 8PR Paroxetine × 1 PO4 PHOSPHATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M Potassium thiocyanate 0.1 M Sodium cacodylate 8% w/v PGA L/M	分辨率 2.60 Å R-free 0.220
7OIH Glycosylation in the crystal structure of neutrophil myeloperoxidase 提交 2021-05-11	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 166–744（579 aa）链 D 166–744（579 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 8 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 SCN THIOCYANATE ION × 3 8PR Paroxetine × 1 PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M Potassium thiocyanate 0.1 M Sodium cacodylate 8% w/v PGA L/M	分辨率 2.60 Å R-free 0.220
7OIH Glycosylation in the crystal structure of neutrophil myeloperoxidase 提交 2021-05-11	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 3 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 E 166–744（579 aa）链 F 166–744（579 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 9 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 SCN THIOCYANATE ION × 2 8PR Paroxetine × 1 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M Potassium thiocyanate 0.1 M Sodium cacodylate 8% w/v PGA L/M	分辨率 2.60 Å R-free 0.220
7OIH Glycosylation in the crystal structure of neutrophil myeloperoxidase 提交 2021-05-11	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 4 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 G 166–744（579 aa）链 H 166–744（579 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 9 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 SCN THIOCYANATE ION × 2 8PR Paroxetine × 1 PO4 PHOSPHATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.2 M Potassium thiocyanate 0.1 M Sodium cacodylate 8% w/v PGA L/M	分辨率 2.60 Å R-free 0.220
7QZR Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus 提交 2022-01-31	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 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 165–278（114 aa）链 B 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	EDO 1,2-ETHANEDIOL × 4 HEC HEME C × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 PO4 PHOSPHATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane	分辨率 2.18 Å R-free 0.244
7QZR Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus 提交 2022-01-31	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 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 165–278（114 aa）链 D 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）	HEC HEME C × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane	分辨率 2.18 Å R-free 0.244
7Z53 Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus 提交 2022-03-07	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 其他组合异源复合物；蛋白 × 6 PDB 声明：hexameric	链 A 166–271（106 aa）片段：UNP RESIDUES 167-271 链 B 279–744（466 aa）链 C 166–271（106 aa）片段：UNP RESIDUES 167-271 链 D 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 HEC HEME C × 2 CA CALCIUM ION × 2 EDO 1,2-ETHANEDIOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane	分辨率 2.28 Å R-free 0.229
7Z53 Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus 提交 2022-03-07	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 其他组合异源复合物；蛋白 × 6 PDB 声明：hexameric	链 G 166–271（106 aa）片段：UNP RESIDUES 167-271 链 H 279–744（466 aa）链 I 166–271（106 aa）片段：UNP RESIDUES 167-271 链 J 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 HEC HEME C × 2 CA CALCIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane	分辨率 2.28 Å R-free 0.229
7Z53 Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus 提交 2022-03-07	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 3 其他组合异源复合物；蛋白 × 6 PDB 声明：hexameric	链 M 166–271（106 aa）片段：UNP RESIDUES 167-271 链 N 279–744（466 aa）链 O 166–271（106 aa）片段：UNP RESIDUES 167-271 链 P 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 HEC HEME C × 2 CA CALCIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 OXL OXALATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane	分辨率 2.28 Å R-free 0.229
7Z53 Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus 提交 2022-03-07	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 4 其他组合异源复合物；蛋白 × 6 PDB 声明：hexameric	链 S 166–271（106 aa）片段：UNP RESIDUES 167-271 链 T 279–744（466 aa）链 U 166–271（106 aa）片段：UNP RESIDUES 167-271 链 V 279–744（466 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	CL CHLORIDE ION × 2 HEC HEME C × 2 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；8% (w/V) PEG 20000, 0.1 M BICINE pH 9, 0.5% (V/V) Dioxane	分辨率 2.28 Å R-free 0.229
9GEN Recombinant Myeloperoxidase bound to nucleosome core particle 提交 2024-08-07	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 异源复合物；蛋白 × 9 PDB 声明：11-meric	链 L 167–743（577 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.76 Å
9GEP Native monomeric Myeloperoxidase bound to nucleosome core particle 提交 2024-08-07	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 异源复合物；蛋白 × 10 PDB 声明：12-meric	链 M 165–272（108 aa）链 N 279–744（466 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 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 2.89 Å
9GEQ Native dimeric Myeloperoxidase bound to nucleosome core particle; composite map 提交 2024-08-07	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：14-meric	链 K 165–272（108 aa）链 L 279–744（466 aa）链 M 165–272（108 aa）链 N 279–744（466 aa）	未记录	CL CHLORIDE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.12 Å
9GER Native dimeric Myeloperoxidase bound to nucleosome core particle, intermediate state; composite map 提交 2024-08-07	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：14-meric	链 K 165–272（108 aa）链 L 279–744（466 aa）链 M 165–272（108 aa）链 N 279–744（466 aa）	未记录	CL CHLORIDE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 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 3.58 Å
9IHD Nucleosome core particle bound by one molecule of DTT-reduced native monomeric myeloperoxidase 提交 2025-02-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 异源复合物；蛋白 × 10 PDB 声明：12-meric	链 M 165–272（108 aa）链 N 279–744（466 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 2.97 Å
9IHE Nucleosome core particle bound by two molecules of DTT-reduced native monomeric myeloperoxidase 提交 2025-02-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：14-meric	链 K 165–272（108 aa）链 L 279–744（466 aa）链 M 165–272（108 aa）链 N 279–744（466 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 2.95 Å
9IHF Nucleosome core particle bound by one monomer and one dimer of of DTT-reduced native myeloperoxidase 提交 2025-02-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白–DNA 异源复合物；蛋白 × 14 PDB 声明：16-meric	链 K 165–272（108 aa）链 L 279–744（466 aa）链 M 165–272（108 aa）链 N 279–744（466 aa）链 O 165–272（108 aa）链 P 279–744（466 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.5 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.16 Å
9QE3 Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and selenocyanate at pH 5.5 提交 2025-03-07	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 其他组合异源复合物；蛋白 × 6 PDB 声明：hexameric	链 A 165–278（114 aa）片段：UNP RESIDUES 167-271 链 B 279–745（467 aa）链 C 165–278（114 aa）片段：UNP RESIDUES 167-271 链 D 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	SEK SELENOCYANATE ION × 32 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；0.1 M Na Acet 5.5 pH (Buffer) 6 %(w/v) PEG 8K (Precipitant) 10 %(w/v) PEG 1K (Precipitant) 0.4 M KSeCN (Salt)	分辨率 2.06 Å R-free 0.234
9QEX Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and thiocyanate at pH 7.5 提交 2025-03-11	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 其他组合异源复合物；蛋白 × 6 PDB 声明：hexameric	链 A 165–278（114 aa）片段：UNP RESIDUES 167-271 链 B 279–745（467 aa）链 C 165–278（114 aa）片段：UNP RESIDUES 167-271 链 D 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 2 SCN THIOCYANATE ION × 15 HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；0.1 M TRIS 7.5 pH (Buffer) 4 %(w/v) PEG 8K (Precipitant) 10 %(w/v) PEG 1K (Precipitant) 0.4 M KSCN (Salt)	分辨率 1.90 Å R-free 0.216
9QGA Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and bromide at pH 7.5 提交 2025-03-13	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 其他组合异源复合物；蛋白 × 6 PDB 声明：hexameric	链 A 165–278（114 aa）链 B 279–745（467 aa）链 C 165–278（114 aa）链 D 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 BR BROMIDE ION × 46 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；0.1 M TRIS 7.5 pH 6 %(w/v) PEG 8K 8 %(w/v) PEG 1K 0.4 M NaI	分辨率 2.21 Å R-free 0.252
9QJ3 Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and iodide at pH 5.5 提交 2025-03-18	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 其他组合异源复合物；蛋白 × 6 PDB 声明：hexameric	链 A 165–278（114 aa）片段：UNP RESIDUES 167-271 链 B 279–745（467 aa）链 C 165–278（114 aa）片段：UNP RESIDUES 167-271 链 D 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	IOD IODIDE ION × 89 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；0.1 M Na Acet 5.5 pH 6 %(w/v) PEG 8K 10 %(w/v) PEG 1K 0.4 M NaI	分辨率 2.63 Å R-free 0.249
9QJO Structure of native leukocyte myeloperoxidase in complex with the Staphylococcal Peroxidase Inhibitor SPIN and bromide at pH 5.5 提交 2025-03-19	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 其他组合异源复合物；蛋白 × 6 PDB 声明：hexameric	链 A 165–278（114 aa）链 B 279–745（467 aa）链 C 165–278（114 aa）链 D 279–745（467 aa）	非标准单体：是（mmCIF未提供具体位点）非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 BR BROMIDE ION × 56 CA CALCIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；10 %(w/v) PEG 1K 8 %(w/v) PEG 8K 0.4 M NaBr 0.1 M Na Acet 5.5 pH	分辨率 2.18 Å R-free 0.232
9SDS Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and chloride at pH 5.5 提交 2025-08-14	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 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 A 165–278（114 aa）片段：UNP RESIDUES 167-271 链 C 279–745（467 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IOD IODIDE ION × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；0.1 M Na Acet 5.5 pH (Buffer) 10 %w/v PEG 1K (Precipitant) 7 %w/v PEG 8K (Precipitant) 0.4 M NaI (Salt)	分辨率 2.49 Å R-free 0.234
9SDS Structure of native leukocyte myeloperoxidase in complex with a truncated version of the Staphylococcal Peroxidase Inhibitor SPIN and chloride at pH 5.5 提交 2025-08-14	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 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 B 165–278（114 aa）片段：UNP RESIDUES 167-271 链 D 279–745（467 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IOD IODIDE ION × 1 CA CALCIUM ION × 1 CL CHLORIDE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；295.15 K；0.1 M Na Acet 5.5 pH (Buffer) 10 %w/v PEG 1K (Precipitant) 7 %w/v PEG 8K (Precipitant) 0.4 M NaI (Salt)	分辨率 2.49 Å R-free 0.234

共 48 个其他 PDB 条目、107 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	PERM_HUMAN
Isoform	—
PDB实体	1, 2
链与序列区间	作者链 A； PDB构建体 1–105； UniProt 167–271 作者链 B； PDB构建体 1–105； UniProt 167–271 作者链 C； PDB构建体 1–466； UniProt 279–744 作者链 D； PDB构建体 1–466； UniProt 279–744

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	7ni3
沉积日期 deposition_date	2021-02-11
结构标题 title	CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 3
关键词 keywords	OXIDOREDUCTASE, COMPLEX, INHIBITOR; OXIDOREDUCTASE
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	33.99 Å
回转半径 Rg (电子) rg_electron	33.42 Å
零角强度 I(0) i0	286514000.00
分子量 molecular_weight	134320.0 kDa
排除体积 excluded_volume	167140 Å³
包络体积 envelope_volume	198900 Å³
水化壳体积 shell_volume	48829 Å³
包络直径 envelope_diameter	116.4 Å
壳层 Rg shell_rg	40.80 Å
包络 Rg envelope_rg	33.57 Å
形状 Rg shape_rg	33.40 Å
总 Rg total_rg	33.98 Å
总原子数 total_atoms	9417
残基数 n_residues	1134
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	110.5 Å
Rg (实空间) rg_real	34.02 Å
Rg 误差 (实空间) rg_real_error	0.78 Å
I(0) (实空间) i0_real	2.8650e+08
I(0) 误差 (实空间) i0_real_error	4.3220e+06
Rg (倒空间) rg_reciprocal	34.00 Å
I(0) (倒空间) i0_reciprocal	286500000.0000
解质量估计 total_estimate	0.8814
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	35.3 Å
偏度 Skewness skewness	0.394
峰度 Kurtosis kurtosis	-0.412
角度范围 angular_range	— – 0.2350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	106800000.0000
实空间数据点数 n_real_points	48
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.871; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.863

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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 (10)

实体 1 Entity 1 polymer

描述 description	Myeloperoxidase
分子量 formula_weight	11974.4 kDa
EC 编号 ec_number	1.11.2.2
来源方法 src_method	nat
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B
原子数 atom_count	10213

CPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPGVKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDFTPEPAA

实体 2 Entity 2 polymer

描述 description	Myeloperoxidase
分子量 formula_weight	53234.2 kDa
EC 编号 ec_number	1.11.2.2
来源方法 src_method	nat
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	C,D

VNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFVNCSTLPALNLASWREA

实体 3 Entity 3 branched

描述 description	;beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ;
分子量 formula_weight	732.7 kDa
来源方法 src_method	man
拷贝数 entity_count	2

实体 4 Entity 4 non-polymer

描述 description	PROTOPORPHYRIN IX CONTAINING FE
分子量 formula_weight	616.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 5 Entity 5 non-polymer

描述 description	CHLORIDE ION
分子量 formula_weight	35.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

实体 6 Entity 6 non-polymer

描述 description	2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one
分子量 formula_weight	252.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 7 Entity 7 non-polymer

描述 description	CALCIUM ION
分子量 formula_weight	40.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 8 Entity 8 non-polymer

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	221.2 kDa
来源方法 src_method	man
拷贝数 entity_count	4

实体 9 Entity 9 non-polymer

描述 description	beta-D-mannopyranose
分子量 formula_weight	180.2 kDa
来源方法 src_method	man
拷贝数 entity_count	2

实体 10 Entity 10 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	796

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8. 引用文献 (1)

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晶胞边长 a length_a	92.660 Å
晶胞边长 b length_b	63.640 Å
晶胞边长 c length_c	111.030 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	97.15 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	4

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.100 Å
最低分辨率 resolution_low	30.610 Å
R 因子 r_factor	0.1770
R_work r_work	0.1750
R_free r_free	0.2240

fit	/app/data/saxs_computation/ni/7ni3/7ni3.fit
pddf	/app/data/pr_computation/ni/7ni3/7ni3.pr.out
profile	/app/data/saxs_computation/ni/7ni3/7ni3.dat

CRYSTAL STRUCTURE OF NATIVE HUMAN MYELOPEROXIDASE IN COMPLEX WITH CPD 3

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

Myeloperoxidase

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 (10)

实体 1 Entity 1 polymer

聚合物 Polymer

实体 2 Entity 2 polymer

聚合物 Polymer

实体 3 Entity 3 branched

实体 4 Entity 4 non-polymer

实体 5 Entity 5 non-polymer

实体 6 Entity 6 non-polymer

实体 7 Entity 7 non-polymer

实体 8 Entity 8 non-polymer

实体 9 Entity 9 non-polymer

实体 10 Entity 10 water

8. 引用文献 (1)

9. 文件与曲线 (10)

Files (7)

Curves (3)