3f1q

Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 1

Method: X-RAY DIFFRACTION D_max: 61.0 Å Quality: EXCELLENT

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

Dihydroorotate dehydrogenase

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 29–395	片段：residues 30-396	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 BCE (2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide × 1 ACY ACETIC ACID × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；drops: 50mM HEPES, pH 7.7, 400mM NaCl, 30% glycerol, 1mM EDTA, 10mM N,N-dimethylundecylamin-N-oxide (C11DAO), precipitant solution: 0.1M acetate pH 4.6-5.0, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM dihydroorotate (DHO), 1.8-2.4M ammonium sulfate, 1mM inhibitors, reservoir: 0.1M acetate pH 4.8, 2.4-2.6M ammonium sulfate, 30% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.00 Å R-free 0.199

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 3F1Q	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
1D3G HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG 提交 1999-09-29	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 30–396（367 aa）	未记录	SO4 SULFATE ION × 1 ACT ACETATE ION × 1 BRE 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；AMMONIUM SULFATE, ACETATE, GLYCEROL, DDAO, C11DAO, BREQUINAR, OROTATE, VAPOR DIFFUSION, temperature 293K	分辨率 1.60 Å R-free 0.188
1D3H HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726 提交 1999-09-29	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 30–396（367 aa）	未记录	SO4 SULFATE ION × 1 ACT ACETATE ION × 1 A26 (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide × 1 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；ammonium sulphate, acetate buffer, glycerol, DDAO, C11DAO, A771726, orotate, VAPOR DIFFUSION, temperature 293K	分辨率 1.80 Å R-free 0.185
2B0M Human dihydroorotate dehydrogenase bound to a novel inhibitor 提交 2005-09-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	201 3-AMIDO-5-BIPHENYL-BENZOIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；ammonium sulfate, sodium acetate, C11DAO, C10DAO, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.00 Å R-free 0.249
2BXV Dual binding mode of a novel series of DHODH inhibitors 提交 2005-07-27	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 29–395（367 aa）	未记录	SO4 SULFATE ION × 1 ACT ACETATE ION × 1 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 3FT 2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4.6；293 K；AMMONIUM SULPHATE, ACETATE BUFFER, GLYCEROL, DDAO, C11DAO, A771726, OROTATE, VAPOR DIFFUSION, TEMPERATURE 293K, pH 4.60	分辨率 2.15 Å R-free 0.223
2FPT Dual Binding Mode of a Novel Series of DHODH inhibitors 提交 2006-01-17	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 29–395（367 aa）	未记录	SO4 SULFATE ION × 4 ACT ACETATE ION × 1 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ILB 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.7；293 K；Drops were formed by mixing equal amounts of 20 mg/ml protein in 50 mM HEPES pH 7.7, 400 mM NaCl, 30% glycerol, 1 mM EDTA and 10 mM N,N-dimethylundecylamin-N-oxide (C11DAO) with a precipitant solution of 0.1 M acetate pH 4.6 5.0, 40 mM C11DAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2 mM dihydroorotate (DHO), 1.8 2.4 M ammonium sulfate. The hanging drops were incubated against 0.5 mL reservoir of 0.1 M acetate pH 4.8, 2.4 2.6 M ammonium sulfate and 30% glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.40 Å R-free 0.211
2FPV Dual binding mode of a novel series of DHODH inhibitors 提交 2006-01-17	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 32–398（367 aa）	未记录	ACT ACETATE ION × 2 SO4 SULFATE ION × 4 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ILC 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.7；293 K；Drops were formed by mixing equal amounts of 20 mg/ml protein in 50 mM HEPES pH 7.7, 400 mM NaCl, 30% glycerol, 1 mM EDTA and 10 mM N,N-dimethylundecylamin-N-oxide (C11DAO) with a precipitant solution of 0.1 M acetate pH 4.6 5.0, 40 mM C11DAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2 mM dihydroorotate (DHO), 1.8 2.4 M ammonium sulfate, 1 mM compound. The hanging drops were incubated against 0.5 mL reservoir of 0.1 M acetate pH 4.8, 2.4 2.6 M ammonium sulfate and 30% glycerol. , VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.80 Å R-free 0.205
2FPY Dual binding mode of a novel series of DHODH inhibitors 提交 2006-01-17	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 29–395（367 aa）	未记录	ACT ACETATE ION × 1 SO4 SULFATE ION × 5 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ILF 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.7；293 K；Drops were formed by mixing equal amounts of 20 mg/ml protein in 50 mM HEPES pH 7.7, 400 mM NaCl, 30% glycerol, 1 mM EDTA and 10 mM N,N-dimethylundecylamin-N-oxide (C11DAO) with a precipitant solution of 0.1 M acetate pH 4.6 5.0, 40 mM C11DAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2 mM dihydroorotate (DHO), 1.8 2.4 M ammonium sulfate, 1 mM compound. The hanging drops were incubated against 0.5 mL reservoir of 0.1 M acetate pH 4.8, 2.4 2.6 M ammonium sulfate and 30% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.00 Å R-free 0.200
2FQI dual binding modes of a novel series of DHODH inhibitors 提交 2006-01-18	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 29–395（367 aa）	未记录	SO4 SULFATE ION × 2 ACT ACETATE ION × 3 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ILH 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.7；293 K；Drops were formed by mixing equal amounts of 20 mg/ml protein in 50 mM HEPES pH 7.7, 400 mM NaCl, 30% glycerol, 1 mM EDTA and 10 mM N,N-dimethylundecylamin-N-oxide (C11DAO) with a precipitant solution of 0.1 M acetate pH 4.6 5.0, 40 mM C11DAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2 mM dihydroorotate (DHO), 1.8 2.4 M ammonium sulfate, 1 mM compound. The hanging drops were incubated against 0.5 mL reservoir of 0.1 M acetate pH 4.8, 2.4 2.6 M ammonium sulfate and 30% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.95 Å R-free 0.202
2PRH The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site 提交 2007-05-04	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 29–395（367 aa）	突变：N-terminus truncated	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 238 6-CHLORO-2-(2'-FLUOROBIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；298 K；0.1M acetate, 1.6-2.4M ammonium sulphate, 30% glycerol, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.40 Å R-free 0.217
2PRL The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site 提交 2007-05-04	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 29–395（367 aa）	突变：N-terminus truncated	SO4 SULFATE ION × 1 ACT ACETATE ION × 2 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 R2C 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；DROPS WERE FORMED BY MIXING EQUAL AMOUNTS OF 18-24 MG/ML PROTEIN IN 100 MM HEPES PH 7.0, 400 MM NACL, 30% GLYCEROL, 1 MM EDTA AND 10 MM N,N- DIMETHYLUNDECYLAMIN-N-OXIDE (C11DAO) WITH A PRECIPITANT SOLUTION OF 0.1 M ACETATE PH 4.8 40 MM C11DAO, 20.8 MM N,-DIMETHYLDECYLAMINE-N-OXIDE (DDAO), 2 MM DIHYDROOROTATE (DHO) THE HANGING DROPS WERE INCUBATED AGAINST 0.5 ML RESERVOIR OF 0.1 M ACETATE PH 4.8, 1.6-2.2 M AMMONIUM SULFATE AND 30% GLYCEROL., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.194
2PRM The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site 提交 2007-05-04	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 29–395（367 aa）	突变：N-terminus truncated	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；DROPS WERE FORMED BY MIXING EQUAL AMOUNTS OF 18-24 MG/ML PROTEIN IN 100 MM HEPES PH 7.0, 400 MM NACL, 30% GLYCEROL, 1 MM EDTA AND 10 MM N,N- DIMETHYLUNDECYLAMIN-N-OXIDE (C11DAO) WITH A PRECIPITANT SOLUTION OF 0.1 M ACETATE PH 4.8 40 MM C11DAO, 20.8 MM N, N-DIMETHYLDECYLAMINE-N-OXIDE (DDAO), 2 MM DIHYDROOROTATE (DHO) THE HANGING DROPS WERE INCUBATED AGAINST 0.5 ML RESERVOIR OF 0.1 M ACETATE PH 4.8, 1.6-2.2 M AMMONIUM SULFATE AND 30% GLYCEROL., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 3.00 Å R-free 0.253
2WV8 Complex of human dihydroorotate dehydrogenase with the inhibitor 221290 提交 2009-10-15	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 31–395（365 aa）片段：RESIDUES 31-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 VGN 2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 ACT ACETATE ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 1.90 Å R-free 0.201
3FJ6 Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 2 提交 2008-12-14	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 29–395（367 aa）片段：residues 30-396	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 2 CIH (2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；291 K；drops: 50mM HEPES, pH 7.7, 400mM NaCl, 30% glycerol, 1mM EDTA, 10mM N,N-dimethylundecylamin-N-oxide (C11DAO),precipitant solution: 0.1M acetate pH 4.6-5.0, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM dihydroorotate (DHO), 1.8-2.4M ammonium sulfate, 1mM inhibitors, reservoir: 0.1M acetate pH 4.8, 2.4-2.6M ammonium sulfate, 30% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.80 Å R-free 0.204
3FJL Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 3 提交 2008-12-14	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 29–395（367 aa）片段：residues 30-396	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 1 ACY ACETIC ACID × 2 CJH (2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；291 K；drops: 50mM HEPES, pH 7.7, 400mM NaCl, 30% glycerol, 1mM EDTA, 10mM N,N-dimethylundecylamin-N-oxide (C11DAO), precipitant solution: 0.1M acetate pH 4.6-5.0, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM dihydroorotate (DHO), 1.8-2.4M ammonium sulfate, 1mM inhibitors, reservoir: 0.1M acetate pH 4.8, 2.4-2.6M ammonium sulfate, 30% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.90 Å R-free 0.209
3G0U Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 4 提交 2009-01-28	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 29–395（367 aa）片段：residues 30-396	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 MDY (2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；291 K；Drops: 20mg/mL protein in 50mM HEPES, pH 7.7, 400mM NaCl, 30% glycerol, 1mM EDTA, 10mM N,N-dimethylundecylamin-N-oxide (C11DAO) precipitant solution: 0.1M acetate pH 4.6-5.0, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM dihydroorotate (DHO), 1.8-2.4M ammonium sulfate, 1mM inhibitors reservoir: 0.1M acetate pH 4.8, 2.4-2.6M ammonium sulfate, 30% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 2.00 Å R-free 0.203
3G0X Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 5 提交 2009-01-29	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 29–395（367 aa）片段：residues 30-396	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 MD7 (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；291 K；Drops: 20mg/mL protein in 50mM HEPES, pH 7.7, 400mM NaCl, 30% glycerol, 1mM EDTA, 10mM N,N-dimethylundecylamin-N-oxide (C11DAO), precipitant solution: 0.1M acetate pH 4.6-5.0, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM dihydroorotate (DHO), 1.8-2.4M ammonium sulfate, 1mM inhibitors, reservoir: 0.1M acetate pH 4.8, 2.4-2.6M ammonium sulfate, 30% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K	分辨率 1.80 Å R-free 0.211
3KVJ Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution 提交 2009-11-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	SO4 SULFATE ION × 1 FMN FLAVIN MONONUCLEOTIDE × 1 DOR (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID × 1 DET UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 ACT ACETATE ION × 1 1X5 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；2.4 M AMMONIUM SULFATE, 15% GLYCEROL, 0.1 M NA-ACETATE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.94 Å R-free 0.195
3KVK Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution 提交 2009-11-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	SO4 SULFATE ION × 1 FMN FLAVIN MONONUCLEOTIDE × 1 DOR (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID × 1 DET UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 6X1 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；2.4 M AMMONIUM SULFATE, 15% GLYCEROL, 0.1 M NA-ACETATE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.05 Å R-free 0.205
3KVL Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 715 at 1.85A resolution 提交 2009-11-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	SO4 SULFATE ION × 1 FMN FLAVIN MONONUCLEOTIDE × 1 DOR (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID × 1 DET UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 ACT ACETATE ION × 1 7Z5 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；2.4 M AMMONIUM SULFATE, 15% GLYCEROL, 0.1 M NA-ACETATE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.85 Å R-free 0.191
3KVM Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 951 at 2.00A resolution 提交 2009-11-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	SO4 SULFATE ION × 1 FMN FLAVIN MONONUCLEOTIDE × 1 DOR (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID × 1 DET UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 ACT ACETATE ION × 1 951 2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；2.4 M AMMONIUM SULFATE, 15% GLYCEROL, 0.1 M NA-ACETATE, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.215
3U2O Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor 提交 2011-10-04	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 1–395（395 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 03U methyl 4-{[(2Z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate × 1 ACT ACETATE ION × 3 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4.8；293 K；ammonium sulfate, pH 4.8, vapor diffusion, temperature 293K	分辨率 2.18 Å R-free 0.205
3W7R Structure of Human dihydroorotate dehydrogenase in complex with mii-4-097 提交 2013-03-06	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 29–395（367 aa）片段：UNP residues 29-395	未记录	CL CHLORIDE ION × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 6 W7A 2,6-dioxo-5-[2-(4-phenylphenyl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid × 1 FMN FLAVIN MONONUCLEOTIDE × 1 GOL GLYCEROL × 22 ORO OROTIC ACID × 1 SO4 SULFATE ION × 4 ACT ACETATE ION × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100mM SODIUM ACETATE, 1.8-1.9M AMMONIUM SULPHATE, 40mM C11DAO, 20.8mM DDAO, 2mM DIHYDROOROTATE, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.68 Å R-free 0.172
3ZWS Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor 提交 2011-08-02	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 29–395（367 aa）片段：RESIDUES 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 AVQ 2-[(2,5-DICHLOROBENZYL)SULFANYL]-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL × 1 ACT ACETATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 0.1 M SODIUM ACETATE (PH 4.8), 2.4-2.6 M AMMONIUM SULPHATE, 40 MM C11DAO, 20 MM DDAO.	分辨率 1.60 Å R-free 0.176
3ZWT Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor 提交 2011-08-02	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 29–395（367 aa）片段：RESIDUES 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 2 KFZ 2-{[(2,5-DICHLOROPHENYL)METHYL]SULFANYL}-5-ETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL × 1 ACT ACETATE ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 0.1 M SODIUM ACETATE (PH 4.8), 2.4-2.6 M AMMONIUM SULPHATE, 40 MM C11DAO, 20 MM DDAO.	分辨率 1.55 Å R-free 0.177
4IGH High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog 提交 2012-12-17	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 32–395（364 aa）片段：UNP residues 32-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 1EA 6-fluoro-2-[2-methyl-4-phenoxy-5-(propan-2-yl)phenyl]quinoline-4-carboxylic acid × 1 ZWI 3-[decyl(dimethyl)ammonio]propane-1-sulfonate × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.4；296 K；1.72 M ammonium sulfate, 0.1 M sodium acetate, pH 5.4, 1.5 M sodium chloride, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 296K	分辨率 1.30 Å R-free 0.148
4JGD Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 提交 2013-03-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 DET UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 SO4 SULFATE ION × 9 4JG 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide(DDAO), 2mM DHO, 2.4-2.6M ammonium sulfate., pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 2.05 Å R-free 0.175
4JS3 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 提交 2013-03-22	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 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 JS3 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide × 1 SO4 SULFATE ION × 7 ACY ACETIC ACID × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate pH 4.8, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide(DDAO), 2mM DHO, 2.4-2.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.00 Å R-free 0.179
4JTS Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 072 提交 2013-03-24	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 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 7 ACT ACETATE ION × 2 JTS 4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate pH 4.8, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO 1.6-1.8 M ammonium sulfate, 2mM 072, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.21 Å R-free 0.187
4JTT Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 066 提交 2013-03-24	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 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 6 JTT 2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide × 1 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate pH 4.8, 40mM C11DAO, 20.8 mM N,N-dimethyldecylamine-N-oxide(DDAO), 2mM DHO 1.6-1.8M ammonium sulfate, 2mM 072, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.192
4JTU Crystal structure of human dihydroorotate dehydrogenase (DHODH) with brequinar analogue 提交 2013-03-24	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 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 2 ORO OROTIC ACID × 2 SO4 SULFATE ION × 6 DET UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 JTU 6-bromo-2-{4-[(2R)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate pH 4.8, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide(DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1mM inhibitor., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.90 Å R-free 0.199
4JTU Crystal structure of human dihydroorotate dehydrogenase (DHODH) with brequinar analogue 提交 2013-03-24	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 3 DET UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 JTU 6-bromo-2-{4-[(2R)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate pH 4.8, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide(DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1mM inhibitor., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.90 Å R-free 0.199
4LS0 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH01B0033 提交 2013-07-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 10 B3B 2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.07 Å R-free 0.172
4LS1 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312 提交 2013-07-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 3X2 2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.185
4LS2 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313 提交 2013-07-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 5 ACT ACETATE ION × 1 3XS 2-[(E)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.27 Å R-free 0.190
4OQV High resolution crystal structure of human dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine) 提交 2014-02-10	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 32–395（364 aa）片段：UNP residues 32-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 2V6 N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine × 1 ACY ACETIC ACID × 2 GOL GLYCEROL × 1 NA SODIUM ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；1.76 M Ammonium sulfate, 0.1 M Sodium Acetate, pH 5.4, 1.9 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.23 Å R-free 0.157
4RK8 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356 提交 2014-10-12	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 3RV 5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid × 1 SO4 SULFATE ION × 11	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate pH 4.8, 40 mM UDAO, 20.8 mM, N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1 mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.22 Å R-free 0.177
4RKA Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347 提交 2014-10-12	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 6 3RY 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate pH 4.8, 40 mM UDAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1 mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.71 Å R-free 0.228
4RLI Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 提交 2014-10-17	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 3SH ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate pH 4.8, 40 mM UDAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1 mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.50 Å R-free 0.206
4RR4 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367 提交 2014-11-06	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 3V1 2-chloro-N-[3-(4-{[(2Z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate pH 4.8, 40 mM UDAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1 mM inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.38 Å R-free 0.207
4YLW Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound 提交 2015-03-06	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 29–395（367 aa）片段：UNP residues 29-395	未记录	52Y methyl (2Z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate × 1 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 10	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate	分辨率 1.79 Å R-free 0.178
4ZL1 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18X at 1.86 A resolution 提交 2015-05-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 18X methyl (2Z)-cyano[3-(3-fluorobiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate × 1 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide(DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1mM inhibitor	分辨率 1.86 Å R-free 0.179
4ZMG Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338 提交 2015-05-04	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 4R5 1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40 mM UDAO, 20.8 mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, 1 mM inhibitor	分辨率 1.90 Å R-free 0.198
5H2Z Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF 提交 2016-10-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 2 7GF methyl (2Z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8 M ammonium sulfate	分辨率 1.58 Å R-free 0.186
5H73 Crystal structure of human DHODH with 18F 提交 2016-11-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：UNP residues 30-395	未记录	7L7 methyl (2~{Z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate × 1 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；30% glycerol, 2.4M Ammonium sulfate, PH4.8, 0.1M Acetate, 40mM UDAO, 20.8mM DDAO	分辨率 1.58 Å R-free 0.186
5HIN Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L compound 提交 2016-01-12	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：UNP residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 5 1KL methyl (2Z)-(3-{4-[(4-tert-butylphenyl)carbamoyl]phenyl}-4-oxo-1,3-thiazolidin-2-ylidene)(cyano)acetate × 1 ACT ACETATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8 M ammonium sulfate	分辨率 1.60 Å R-free 0.182
5HQE Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T 提交 2016-01-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：UNP residues 29-395	未记录	64B methyl (2Z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate × 1 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 3 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8 M ammonium sulfate	分辨率 1.62 Å R-free 0.182
5K9C Crystal structure of human dihydroorotate dehydrogenase with ML390 提交 2016-05-31	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 29–395（367 aa）片段：residues 29-395	未记录	FNR 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL × 1 ORO OROTIC ACID × 1 MLJ ~{N}-[3-oxidanylidene-3-[[(1~{R})-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-4-(trifluoromethyloxy)benzamide × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 3 CL CHLORIDE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；0.1 M sodium acetate trihydrate pH 4.8 1.9 M ammonium sulfate 30% (v/v) glycerol	分辨率 1.66 Å R-free 0.150
5K9D Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution 提交 2016-05-31	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 29–395（367 aa）片段：residues 29-395	未记录	FNR 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL × 1 ORO OROTIC ACID × 1 CE9 DODECYL NONA ETHYLENE GLYCOL ETHER × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 3 CL CHLORIDE ION × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.8；298 K；0.1 M sodium acetate trihydrate pH 4.8 1.8 M ammonium sulfate 30% (v/v) glycerol	分辨率 1.70 Å R-free 0.160
5MUT Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds 提交 2017-01-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–395（365 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 HYT 2-methyl-5-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,3-triazole-4-carboxamide × 1 ACT ACETATE ION × 2 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；0.2M KBr, 0.2M KSCN, 0.1M NaAc pH 5.2, 25% PEG 400, 2% PGA-LM	分辨率 1.75 Å R-free 0.198
5MVC Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds 提交 2017-01-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 Y9B 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide × 1 ACT ACETATE ION × 2 CL CHLORIDE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；0.2M KBr, 0.2M KSCN, 0.1M NaAc pH 5.2, 35% PEG 400, 5% PGA-LM	分辨率 1.85 Å R-free 0.189
5MVD Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds 提交 2017-01-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 33–395（363 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 U91 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide × 1 ACT ACETATE ION × 2 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；0.2M KBr, 0.2M KSCN, 0.1M NaAc pH 5.2, 35% PEG 400, 5% PGA-LM	分辨率 1.95 Å R-free 0.202
5TCE N-terminal microdomain of 34-mers from HsDHODH - N-t(DH) 提交 2016-09-14	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 32–65（34 aa）片段：residues 32-65	非标准单体：是（mmCIF未提供具体位点）	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7.4；310 K；离子强度（mmCIF原始值）0；压力 ambient NMR样品组成 700 uM peptide, 90% H2O/10% D2O \| 90% H2O/10% D2O	分辨率未提供
5ZF4 Structure of human dihydroorotate dehydrogenase in complex with 275-10-COOMe 提交 2018-03-02	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 4 ACT ACETATE ION × 5 9BL methyl (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100MM SODIUM ACETATE, 1.8-1.9M AMMONIUM SULPHATE, 40MM C11DAO, 20.8MM DDAO, 2MM DIHYDROOROTATE	分辨率 1.66 Å R-free 0.181
5ZF7 Structure of human dihydroorotate dehydrogenase in complex with 277-9-OH 提交 2018-03-02	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ACT ACETATE ION × 2 SO4 SULFATE ION × 3 CHW 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100MM SODIUM ACETATE, 1.8-1.9M AMMONIUM SULPHATE, 40MM C11DAO, 20.8MM DDAO, 2MM DIHYDROOROTATE	分辨率 1.79 Å R-free 0.180
5ZF8 Structure of human dihydroorotate dehydrogenase in complex with 277-11-OAc 提交 2018-03-02	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ACT ACETATE ION × 4 SO4 SULFATE ION × 3 9BO (2S,3E,7E)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100MM SODIUM ACETATE, 1.8-1.9M AMMONIUM SULPHATE, 40MM C11DAO, 20.8MM DDAO, 2MM DIHYDROOROTATE	分辨率 1.70 Å R-free 0.182
5ZF9 Structure of human dihydroorotate dehydrogenase in complex with 280-12 提交 2018-03-02	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ACT ACETATE ION × 4 SO4 SULFATE ION × 2 9BR 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100MM SODIUM ACETATE, 1.8-1.9M AMMONIUM SULPHATE, 40MM C11DAO, 20.8MM DDAO, 2MM DIHYDROOROTATE	分辨率 1.77 Å R-free 0.181
5ZFA Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr 提交 2018-03-02	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ACT ACETATE ION × 3 SO4 SULFATE ION × 3 9BU (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100MM SODIUM ACETATE, 1.8-1.9M AMMONIUM SULPHATE, 40MM C11DAO, 20.8MM DDAO, 2MM DIHYDROOROTATE	分辨率 1.75 Å R-free 0.183
5ZFB Structure of human dihydroorotate dehydrogenase in complex with ascofuranone (open-form) 提交 2018-03-02	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ACT ACETATE ION × 1 SO4 SULFATE ION × 6 9BX 3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100MM SODIUM ACETATE, 1.8-1.9M AMMONIUM SULPHATE, 40MM C11DAO, 20.8MM DDAO, 2MM DIHYDROOROTATE	分辨率 2.00 Å R-free 0.189
6CJF Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 提交 2018-02-26	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 32–395（364 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 F54 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid × 1 ZWI 3-[decyl(dimethyl)ammonio]propane-1-sulfonate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；1.72 M ammonium sulfate, 1.4 M sodium chloride, 0.1 M sodium acetate pH 5.3, 10 mM DTT	分辨率 1.63 Å R-free 0.189
6CJF Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 提交 2018-02-26	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 32–395（364 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 F54 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid × 1 ZWI 3-[decyl(dimethyl)ammonio]propane-1-sulfonate × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；1.72 M ammonium sulfate, 1.4 M sodium chloride, 0.1 M sodium acetate pH 5.3, 10 mM DTT	分辨率 1.63 Å R-free 0.189
6CJG Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 提交 2018-02-26	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 32–395（364 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 F51 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 ZWI 3-[decyl(dimethyl)ammonio]propane-1-sulfonate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；2.2 M Ammonium Acetate, 1.5 M sodium chloride, 0.1 M sodium cacodylate pH 5.3, 10 mM DTT	分辨率 2.85 Å R-free 0.206
6ET4 HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR 提交 2017-10-25	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 29–395（367 aa）片段：N-TERMINALLY TRUNCATED HUMAN DHODH, RESIDUES 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 DOR (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID × 1 SDV N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 ACY ACETIC ACID × 4 GOL GLYCEROL × 3 SO4 SULFATE ION × 2 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；30% glycerol, 100 mM Sodium acetate pH 4.8, 2 M Ammoniumsulphate	分辨率 1.70 Å R-free 0.138
6FMD Targeting myeloid differentiation using potent human dihydroorotate dehydrogenase (hDHODH) inhibitors based on 2-hydroxypyrazolo[1,5-a]pyridine scaffold 提交 2018-01-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–395（395 aa）	未记录	DUH 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide × 1 CL CHLORIDE ION × 2 FMN FLAVIN MONONUCLEOTIDE × 1 ACT ACETATE ION × 6 ORO OROTIC ACID × 1 GOL GLYCEROL × 4 PGE TRIETHYLENE GLYCOL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；0.2M KBr, 0.2M KSCN, 0.1M NaAc pH 5.2, 25% PEG 400, 2% PGA-LM	分辨率 1.58 Å R-free 0.160
6GK0 HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR 提交 2018-05-17	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 DOR (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID × 1 ACY ACETIC ACID × 4 GOL GLYCEROL × 1 SO4 SULFATE ION × 5 CL CHLORIDE ION × 1 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 1 F1W 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.8；293 K；30% glycerol, 100 mM sodium acetate pH 4.8, 1.8 M Ammoniumsulphate, 40 mM DDAO, 6.4 mM C11DAO, 2 mM L-DHO, 1 mM Tenovin	分辨率 1.85 Å R-free 0.193
6IDJ Crystal structure of human DHODH in complex with ferulenol 提交 2018-09-10	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 29–395（367 aa）	未记录	SO4 SULFATE ION × 3 ACT ACETATE ION × 3 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 9AU 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100 MM SODIUM ACETATE, 1.8-1.9 M AMMONIUM SULPHATE, 40 MM C11DAO, 20.8 MM DDAO, 2 MM DIHYDROOROTATE,	分辨率 1.90 Å R-free 0.178
6J3B Crystal structure of human DHODH in complex with inhibitor 1289 提交 2019-01-04	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 30–395（366 aa）	未记录	SO4 SULFATE ION × 6 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 B5O (6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one × 1 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 1 DMS DIMETHYL SULFOXIDE × 2 ACT ACETATE ION × 6 CL CHLORIDE ION × 3 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；HEPES pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol	分辨率 1.60 Å R-free 0.176
6J3C Crystal structure of human DHODH in complex with inhibitor 1291 提交 2019-01-04	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 30–395（366 aa）	未记录	SO4 SULFATE ION × 4 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 B5X (6R)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one × 1 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol	分辨率 1.85 Å R-free 0.195
6JMD Crystal structure of human DHODH in complex with inhibitor 1223 提交 2019-03-08	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 30–395（366 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 2 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 1 BVO 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol	分辨率 1.78 Å R-free 0.177
6JME Crystal structure of human DHODH in complex with inhibitor 0946 提交 2019-03-08	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 30–395（366 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 3 ACT ACETATE ION × 3 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 1 BVU 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione × 1 NA SODIUM ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol	分辨率 1.80 Å R-free 0.170
6LP6 Crystal structure of human DHODH in complex with inhibitor 1214 提交 2020-01-09	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 30–395（366 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 5 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 1 B6U 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione × 1 NA SODIUM ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6 2M AMMONIUM SULPHATE 30%Glycerol	分辨率 1.79 Å R-free 0.178
6LP7 Crystal structure of human DHODH in complex with inhibitor 0944 提交 2020-01-09	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 30–395（366 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 2 B6R 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione × 1 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6 2M AMMONIUM SULPHATE 30%Glycerol	分辨率 1.80 Å R-free 0.171
6LP8 Crystal structure of human DHODH in complex with inhibitor 1243 提交 2020-01-09	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 30–395（366 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 5 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 1 B6O 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione × 1 NA SODIUM ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6 2M AMMONIUM SULPHATE 30%Glycerol	分辨率 1.79 Å R-free 0.174
6LZL Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine 提交 2020-02-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 31–395（365 aa）	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 AYR (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；HEPES pH 7.7, NaCl, 20% Glycerol, EDTA, UDAO, DDAO	分辨率 1.98 Å R-free 0.209
6M2B Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 提交 2020-02-27	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 EZO 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8M ammonium sulfate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.76 Å R-free 0.193
6OC0 Crystal structure of human DHODH with OSU-03012 提交 2019-03-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：residues 29-395	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 SO4 SULFATE ION × 3 M4J N-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}glycinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；Ammonium sulfate, glycerol, DHO, DDAO, OSU-03012	分辨率 1.40 Å R-free 0.184
6OC1 Crystal structure of human DHODH with TAK-632 提交 2019-03-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：residues 29-395	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 PO4 PHOSPHATE ION × 1 1SU N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；Sodium Phosphate	分辨率 2.70 Å R-free 0.294
6QU7 Crystal structure of human DHODH in complex with BAY 2402234 提交 2019-02-26	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 30–395（366 aa）	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 JJE ~{N}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；2.3 M NH4SO4, 0.1 M Na-acetate, 30% Glycerol	分辨率 1.52 Å R-free 0.173
6SYP Human DHODH bound to inhibitor IPP/CNRS-A017 提交 2019-09-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 AAA 1–395（395 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 1 M0B 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.8；293 K；32% PEG 400 0.2M KSCN 0.2M NaBr 0.1M acetate 4.8	分辨率 1.80 Å R-free 0.203
6VND Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636 提交 2020-01-29	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 29–395（367 aa）	未记录	R4P 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid × 1 DET UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 DDQ DECYLAMINE-N,N-DIMETHYL-N-OXIDE × 2 CL CHLORIDE ION × 1 NA SODIUM ION × 3 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ACT ACETATE ION × 3 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.8；293 K；2.5 M ammonium sulfate, 30% glycerol, 0.1 M sodium acetate, pH 4.8	分辨率 1.97 Å R-free 0.190
7K2U DHODH IN COMPLEX WITH LIGAND 13 提交 2020-09-09	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 29–395（367 aa）片段：TRUNCATED	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 VU7 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide × 1 ACT ACETATE ION × 4 SO4 SULFATE ION × 4 GOL GLYCEROL × 2 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；0.10 M NaAcetate pH 4.8, 2.30 M (NH4)2SO4, 30 % Glycerol, 18% (w/v) PEG 4000, 0.1M Na3Citrate pH5.75	分辨率 1.73 Å R-free 0.179
7Z6C Crystal structure of human Dihydroorotate Dehydrogenase in complex with the inhibitor 2-Hydroxy-N-(2-ispropyl-5-methyl-4-phenoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide. 提交 2022-03-11	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 30–395（366 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 IEQ ~{N}-(5-methyl-4-phenoxy-2-propan-2-yl-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide × 1 P6G HEXAETHYLENE GLYCOL × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；Ammonium sulfate 2 M, 100 mM sodium acetate pH 4.8, 30% glycerol.	分辨率 1.85 Å R-free 0.190
8DHF DHODH IN COMPLEX WITH LIGAND 11 提交 2022-06-27	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 29–395（367 aa）片段：TRUNCATED	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 T6L (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide × 1 ACT ACETATE ION × 4 GOL GLYCEROL × 8 SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4.8；293 K；0.10 M Sodium Acetate pH 4.8, 2.30 M (NH4)2SO4, 30% Glycerol, 18% (w/v) PEG 4000, 0.1M Trisodium Citrate pH 5.75	分辨率 1.78 Å R-free 0.181
8DHG DHODH IN COMPLEX WITH LIGAND 19 提交 2022-06-27	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 29–395（367 aa）片段：TRUNCATED	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 T78 (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4.8；293 K；0.10 M Sodium Acetate pH 4.8, 2.30 M (NH4)2SO4, 30% Glycerol	分辨率 1.85 Å R-free 0.186
8DHH DHODH IN COMPLEX WITH LIGAND 29 提交 2022-06-27	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 29–395（367 aa）片段：TRUNCATED	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 TMK (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide × 1 ACT ACETATE ION × 3 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4.8；293 K；0.10 M Sodium Acetate pH4.8, 2.30 M (NH4)2SO4, 30% Glycerol	分辨率 2.02 Å R-free 0.216
8K4F DHODH in complex with compound A0 提交 2023-07-18	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 30–395（366 aa）	未记录	SO4 SULFATE ION × 6 PG4 TETRAETHYLENE GLYCOL × 4 FMN FLAVIN MONONUCLEOTIDE × 2 OG6 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione × 2 ACT ACETATE ION × 6 CL CHLORIDE ION × 4 FJW 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M PH 4.6 CH3COONa, 1.6-2.0 M (NH4)2SO4, 30-36% glycerol	分辨率 2.48 Å R-free 0.204
8RAK Crystal structure of human Dihydroorotate Dehydrogenase in complex with the inhibitor 2-Hydroxy-N-(2-isopropyl-5-methyl-4-(pyridin-4-yloxy)phenyl)pyrazolo[1,5-a]pyridine-3-carboxamide 提交 2023-12-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 YMH ~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide × 1 ACT ACETATE ION × 5 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；2M ammonium sulphate, 100 mM sodium acetate pH 4.8, and 30 % v/v glycerol	分辨率 1.85 Å R-free 0.186
8VHL Structure of DHODH in Complex with Ligand 17 提交 2024-01-02	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 29–395（367 aa）片段：residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1AA2 N-(2-chloro-6-fluorophenyl)-4-[ethyl(2-hydroxyethyl)carbamamido]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide × 1 ACT ACETATE ION × 3 SO4 SULFATE ION × 3 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4.8；293 K；0.10 M NaAcetat_pH4,8 2.30 M (NH4)2SO4 30 % Glycerol, 18% (w/v) PEG 4000, 0,1M Na3Citrate pH=5.75	分辨率 1.93 Å R-free 0.199
8VHM Structure of DHODH in Complex with Fragment 2 提交 2024-01-02	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 29–395（367 aa）片段：residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1AA1 N-{4-[(R)-cyclohexyl(hydroxy)methyl]phenyl}acetamide × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 4 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 4.8；293 K；0.10 M NaAcetate pH 4.8, 2.30 M (NH4)2SO4, 30% Glycerol	分辨率 2.26 Å R-free 0.228
8YHR DHODH in complex with furocoumavirin 提交 2024-02-28	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 29–395（367 aa）	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 GOL GLYCEROL × 3 ACT ACETATE ION × 5 SO4 SULFATE ION × 1 A1LYU 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；Sodium acetate (pH 4.8), Ammonium sulfate, Glycerol	分辨率 1.70 Å R-free 0.165
9BKM DHODH in complex with Ligand 10 提交 2024-04-29	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 29–395（367 aa）片段：residues 29-395	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 4 A1AQM (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；0.10 M NaAcetat_pH4.8, 2.30 M (NH4)2SO4, 30 % Glycerol, 18% (w/v) PEG 4000, 0.1M Na3Citrate pH=5.75	分辨率 2.08 Å R-free 0.228
9BKN DHODH in complex with Ligand 16 提交 2024-04-29	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 30–395（366 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1AQK (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one × 1 ACT ACETATE ION × 3 SO4 SULFATE ION × 3 CL CHLORIDE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；0.10 M NaAcetate pH=4.8, 2.0 M (NH4)2SO4, 30 % Glycerol	分辨率 1.30 Å R-free 0.152
9BKO DHODH in complex with Ligand 26 提交 2024-04-29	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 30–395（366 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1AQL (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one × 1 SO4 SULFATE ION × 3 CL CHLORIDE ION × 3 GOL GLYCEROL × 2 ACT ACETATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；0.10 M NaAcetate pH 4.8, 2.0 M (NH4)2SO4, 30 % Glycerol	分辨率 1.44 Å R-free 0.170
9CCC Crystal structure of human dihydroorotate dehydrogenase with new alkyne ligand 提交 2024-06-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	ORO OROTIC ACID × 1 A1AVV N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 FMN FLAVIN MONONUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.8；294.15 K；0.1 M sodium acetate trihydrate pH 4.8 2 M ammonium sulfate 30% (v/v) glycerol	分辨率 2.00 Å R-free 0.273
9CZE High-Resolution Structure of Human DHODH for Molecular Replacement in Fragment Screening Campaign 提交 2024-08-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）片段：residues 29-395	未记录	SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 2 ACY ACETIC ACID × 6 CL CHLORIDE ION × 1 ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.8；293.15 K；0.1 M sodium acetate trihydrate pH 4.8, 1.8 M ammonium sulfate and 30% (v/v) glycerol	分辨率 1.60 Å R-free 0.197
9DHG DHODH in complex with Compound 5 提交 2024-09-03	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 29–395（367 aa）片段：residues 29-295	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1A4P (3P,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)quinolin-4(1H)-one × 1 SO4 SULFATE ION × 5 ACT ACETATE ION × 2 CL CHLORIDE ION × 10 EDO 1,2-ETHANEDIOL × 6 GOL GLYCEROL × 2 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；0.10 M NaAc pH4.8, 2.0 M (NH4)2SO4, 30 % (v/v) Glycerol	分辨率 1.39 Å R-free 0.139
9DHH DHODH in complex with Compound 8 提交 2024-09-03	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 29–395（367 aa）片段：TRUNCATED	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 ACT ACETATE ION × 8 A1A4O (3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one × 1 SO4 SULFATE ION × 4 CL CHLORIDE ION × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 LDA LAURYL DIMETHYLAMINE-N-OXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；0.10 M NaAcetate pH4.8, 2.0 M (NH4)2SO4 30 % Glycerol	分辨率 1.49 Å R-free 0.156
9DHI DHODH in complex with Compound 7 提交 2024-09-03	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 29–395（367 aa）片段：residues 29-295	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1A4N (2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)phthalazin-1(2H)-one × 1 SO4 SULFATE ION × 3 ACT ACETATE ION × 4 CL CHLORIDE ION × 8 EDO 1,2-ETHANEDIOL × 10 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；0.10 M NaAc pH4.8, 2.0 M (NH4)2SO4, 30 % (v/v) Glycerol	分辨率 1.38 Å R-free 0.139
9DHJ DHODH in complex with Compound 15 提交 2024-09-03	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 29–395（367 aa）片段：residues 29-295	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1A4M (2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]phthalazin-1(2H)-one × 1 SO4 SULFATE ION × 5 ACT ACETATE ION × 5 GOL GLYCEROL × 1 CL CHLORIDE ION × 7 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；293 K；0.10 M NaAc pH4.8, 2.0 M (NH4)2SO4, 30 % (v/v) Glycerol	分辨率 1.40 Å R-free 0.144
9EG9 Crystal structure of human dihydroorotate dehydrogenase in complex with lapachol 提交 2024-11-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 SO4 SULFATE ION × 3 ACT ACETATE ION × 1 GOL GLYCEROL × 3 A1BIJ 2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 4.8；293.15 K；0.1 M sodium acetate trihydrate pH 4.8, 1.8 M ammonium sulfate and 30% (v/v) glycerol	分辨率 1.31 Å R-free 0.180
9EZ9 Crystal structure of human Dihydroorotate Dehydrogenase in complex with the inhibitor N-(3'-(2,2-difluoropropoxy)-2,3,5,6-tetrafluoro-[1,1'-biphenyl]-4-yl)-2-hydroxypyrazolo[1,5-a]pyridine-3-carboxamide 提交 2024-04-11	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 29–395（367 aa）	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 P6G HEXAETHYLENE GLYCOL × 1 A1H8I N-[4-[3-[2,2-bis(fluoranyl)propoxy]phenyl]-2,3,5,6-tetrakis(fluoranyl)phenyl]-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；2 M ammonium sulphate, 100 mM sodium acetate pH 4.8 and 20 % v/v glycerol	分辨率 2.60 Å R-free 0.233
9I2Y Human DHODH in Complex with QC6352 提交 2025-01-22	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 31–395（365 aa）	未记录	SO4 SULFATE ION × 3 9DJ 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid × 1 ACT ACETATE ION × 1 ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；34% PEG 400 0.2 M KSCN 0.2 M NaBr 0.1M acetate pH 4.8	分辨率 1.95 Å R-free 0.198
9M4M Crystal structure of human DHODH in complex with Lapachol derivatives, 511-12 提交 2025-03-04	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 29–395（367 aa）	未记录	SO4 SULFATE ION × 2 ACT ACETATE ION × 3 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1L8J 2-HYDROXY-3-FARNESYL-1,4-NAPHTHOQUINONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100 mM SODIUM ACETATE, 1.8-1.9 M, AMMONIUM SULPHATE, 40 mM C11DAO, 20.8 mM DDAO, 2 mM DIHYDROOROTATE, PH 4.9	分辨率 1.75 Å R-free 0.176
9M4O Crystal structure of human DHODH in complex with Lapachol 提交 2025-03-04	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 30–395（366 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1BIJ 2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；100 mM SODIUM ACETATE, 1.8-1.9 M, AMMONIUM SULPHATE, 40 mM C11DAO, 20.8 mM DDAO, 2 mM DIHYDROOROTATE, PH 4.9	分辨率 1.75 Å R-free 0.171
9S1I Crystal structure of human Dihydroorotate Dehydrogenase in complex with arzanol 提交 2025-07-18	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 29–395（367 aa）	未记录	FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 A1JKW 3-[[3-ethanoyl-5-(3-methylbut-2-enyl)-2,4,6-tris(oxidanyl)phenyl]methyl]-6-ethyl-5-methyl-4-oxidanyl-pyran-2-one × 1 ACT ACETATE ION × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；2M Ammonium Sulphate, 100 mM Sodium Acetate pH 4.8, 20 % glycerol	分辨率 1.61 Å R-free 0.175
9UB2 Crystal structure of human DHODH in complex with inhibitor 006 提交 2025-04-02	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 30–395（366 aa）	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 A1EOU (4R)-2-[(3-cyclobutyloxy-4-phenyl-pyridin-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.7；293.15 K；acetate, ammonium sulfate, glycerol, sodium chloride, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, ethylenediaminetetraacetic acid	分辨率 1.90 Å R-free 0.222
9V34 Crystal structure of DHODH inhibitor HL6 in complex with DHODH 提交 2025-05-21	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 29–395（367 aa）	未记录	ORO OROTIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 A1EZL (4R)-2-[[2-(cyclobutylmethoxy)-3-phenyl-phenyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；Sodium chloride, 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid, Ethylene Diamine Tetraacetic Acid, Glycerol	分辨率 1.60 Å R-free 0.203

共 104 个其他 PDB 条目、106 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	PYRD_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–367； UniProt 29–395

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	3f1q
沉积日期 deposition_date	2008-10-28
结构标题 title	Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 1
关键词 keywords	;Dihydroorotate dehydrogenase, leflunomide, FAD, Flavoprotein, Membrane, Mitochondrion, Mitochondrion inner membrane, Oxidoreductase, Pyrimidine biosynthesis, Transit peptide ;; 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	20.35 Å
回转半径 Rg (电子) rg_electron	19.02 Å
零角强度 I(0) i0	28166200.00
分子量 molecular_weight	40225.0 kDa
排除体积 excluded_volume	50271 Å³
包络体积 envelope_volume	56743 Å³
水化壳体积 shell_volume	23708 Å³
包络直径 envelope_diameter	61.8 Å
壳层 Rg shell_rg	26.54 Å
包络 Rg envelope_rg	19.43 Å
形状 Rg shape_rg	19.00 Å
总 Rg total_rg	20.04 Å
总原子数 total_atoms	2834
残基数 n_residues	361
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	61.0 Å
Rg (实空间) rg_real	20.19 Å
Rg 误差 (实空间) rg_real_error	0.24 Å
I(0) (实空间) i0_real	2.8170e+07
I(0) 误差 (实空间) i0_real_error	3.1710e+05
Rg (倒空间) rg_reciprocal	20.22 Å
I(0) (倒空间) i0_reciprocal	28170000.0000
解质量估计 total_estimate	0.9022
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	26.1 Å
偏度 Skewness skewness	0.060
峰度 Kurtosis kurtosis	-0.493
角度范围 angular_range	— – 0.3900 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	8274000.0000
实空间数据点数 n_real_points	71
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.924; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.985

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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 (7)

实体 1 Entity 1 polymer

描述 description	Dihydroorotate dehydrogenase
分子量 formula_weight	39856.5 kDa
EC 编号 ec_number	1.3.3.1
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	3165

MATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR

来源 Source

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

实体 2 Entity 2 non-polymer

描述 description	FLAVIN MONONUCLEOTIDE
分子量 formula_weight	456.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 non-polymer

描述 description	OROTIC ACID
分子量 formula_weight	156.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 4 Entity 4 non-polymer

描述 description	(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
分子量 formula_weight	278.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 5 Entity 5 non-polymer

描述 description	ACETIC ACID
分子量 formula_weight	60.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	2

实体 6 Entity 6 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 7 Entity 7 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	311

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7. 折叠分类 (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d3f1qa_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.1 — TIM beta/alpha-barrel
超家族 Superfamily superfamily	c.1.4 — FMN-linked oxidoreductases
家族 Family family	c.1.4.1 — FMN-linked oxidoreductases

CATH v4.4 (1 domains)

结构域编号 domain_id	3f1qA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	20 — Alpha-Beta Barrel
拓扑 Topology topology	20 — TIM Barrel
同源超家族 H-superfamily homologous superfamily	70 — Aldolase class I

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8. 引用文献 (1)

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晶胞边长 a length_a	90.696 Å
晶胞边长 b length_b	90.696 Å
晶胞边长 c length_c	122.950 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	120.00 °
晶胞分子数 Z z_pdb	6

空间群 space_group	P 32 2 1
空间群编号 int_tables_number	154
晶系 crystal_system	—

分辨率 resolution	2.000 Å
最低分辨率 resolution_low	29.690 Å
R 因子 r_factor	0.1795
R_work r_work	0.1784
R_free r_free	0.1994

fit	/app/data/saxs_computation/f1/3f1q/3f1q.fit
pddf	/app/data/pr_computation/f1/3f1q/3f1q.pr.out
profile	/app/data/saxs_computation/f1/3f1q/3f1q.dat