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3w7r

Structure of Human dihydroorotate dehydrogenase in complex with mii-4-097

Method: X-RAY DIFFRACTION Dmax: 64.3 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Dihydroorotate dehydrogenase (quinone), mitochondrial

Homo sapiens

UniProt Q02127

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 29–395 Fragment：UNP residues 29-395 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 crystallization conditions：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 Resolution 1.68 Å R-free 0.172

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 3W7R Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1D3G HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG Deposited 1999-09-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–396（367 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION；293 K；AMMONIUM SULFATE, ACETATE, GLYCEROL, DDAO, C11DAO, BREQUINAR, OROTATE, VAPOR DIFFUSION, temperature 293K
Resolution 1.60 Å R-free 0.188
1D3H HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726 Deposited 1999-09-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–396（367 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION；293 K；ammonium sulphate, acetate buffer, glycerol, DDAO, C11DAO, A771726, orotate, VAPOR DIFFUSION, temperature 293K
Resolution 1.80 Å R-free 0.185
2B0M Human dihydroorotate dehydrogenase bound to a novel inhibitor Deposited 2005-09-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 201 3-AMIDO-5-BIPHENYL-BENZOIC ACID × 1 FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；ammonium sulfate, sodium acetate, C11DAO, C10DAO, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.00 Å R-free 0.249
2BXV Dual binding mode of a novel series of DHODH inhibitors Deposited 2005-07-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION；pH 4.6；293 K；AMMONIUM SULPHATE, ACETATE BUFFER, GLYCEROL, DDAO, C11DAO, A771726, OROTATE, VAPOR DIFFUSION, TEMPERATURE 293K, pH 4.60
Resolution 2.15 Å R-free 0.223
2FPT Dual Binding Mode of a Novel Series of DHODH inhibitors Deposited 2006-01-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.40 Å R-free 0.211
2FPV Dual binding mode of a novel series of DHODH inhibitors Deposited 2006-01-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 32–398（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.80 Å R-free 0.205
2FPY Dual binding mode of a novel series of DHODH inhibitors Deposited 2006-01-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.00 Å R-free 0.200
2FQI dual binding modes of a novel series of DHODH inhibitors Deposited 2006-01-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 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 Deposited 2007-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Mutation：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 crystallization conditions 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
Resolution 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 Deposited 2007-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Mutation：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 crystallization conditions 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
Resolution 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 Deposited 2007-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Mutation：N-terminus truncated FMN FLAVIN MONONUCLEOTIDE × 1 ORO OROTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 3.00 Å R-free 0.253
2WV8 Complex of human dihydroorotate dehydrogenase with the inhibitor 221290 Deposited 2009-10-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–395（365 aa） Fragment：RESIDUES 31-395
Not recorded 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 provides none of the parsed conditions Resolution 1.90 Å R-free 0.201
3F1Q Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 1 Deposited 2008-10-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 30-396
Not recorded 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 crystallization conditions 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
Resolution 2.00 Å R-free 0.199
3FJ6 Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 2 Deposited 2008-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 30-396
Not recorded 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 crystallization conditions 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
Resolution 1.80 Å R-free 0.204
3FJL Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 3 Deposited 2008-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 30-396
Not recorded 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 crystallization conditions 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
Resolution 1.90 Å R-free 0.209
3G0U Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 4 Deposited 2009-01-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 30-396
Not recorded 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 crystallization conditions 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
Resolution 2.00 Å R-free 0.203
3G0X Human dihydroorotate dehydrogenase in complex with a leflunomide derivative inhibitor 5 Deposited 2009-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 30-396
Not recorded 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 crystallization conditions 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
Resolution 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 Deposited 2009-11-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 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 Deposited 2009-11-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 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 Deposited 2009-11-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 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 Deposited 2009-11-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.00 Å R-free 0.215
3U2O Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor Deposited 2011-10-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–395（395 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION；pH 4.8；293 K；ammonium sulfate, pH 4.8, vapor diffusion, temperature 293K
Resolution 2.18 Å R-free 0.205
3ZWS Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor Deposited 2011-08-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：RESIDUES 29-395
Not recorded 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 crystallization conditions 0.1 M SODIUM ACETATE (PH 4.8), 2.4-2.6 M AMMONIUM SULPHATE, 40 MM C11DAO, 20 MM DDAO.
Resolution 1.60 Å R-free 0.176
3ZWT Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor Deposited 2011-08-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：RESIDUES 29-395
Not recorded 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 crystallization conditions 0.1 M SODIUM ACETATE (PH 4.8), 2.4-2.6 M AMMONIUM SULPHATE, 40 MM C11DAO, 20 MM DDAO.
Resolution 1.55 Å R-free 0.177
4IGH High resolution crystal structure of human dihydroorotate dehydrogenase bound with 4-quinoline carboxylic acid analog Deposited 2012-12-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 32–395（364 aa） Fragment：UNP residues 32-395
Not recorded 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 crystallization conditions 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
Resolution 1.30 Å R-free 0.148
4JGD Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 Deposited 2013-03-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.05 Å R-free 0.175
4JS3 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 Deposited 2013-03-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 2.00 Å R-free 0.179
4JTS Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 072 Deposited 2013-03-24 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 2.21 Å R-free 0.187
4JTT Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 066 Deposited 2013-03-24 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 2.10 Å R-free 0.192
4JTU Crystal structure of human dihydroorotate dehydrogenase (DHODH) with brequinar analogue Deposited 2013-03-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.90 Å R-free 0.199
4JTU Crystal structure of human dihydroorotate dehydrogenase (DHODH) with brequinar analogue Deposited 2013-03-24 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.90 Å R-free 0.199
4LS0 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH01B0033 Deposited 2013-07-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 2.07 Å R-free 0.172
4LS1 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312 Deposited 2013-07-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 2.20 Å R-free 0.185
4LS2 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313 Deposited 2013-07-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 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) Deposited 2014-02-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 32–395（364 aa） Fragment：UNP residues 32-395
Not recorded 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 crystallization conditions 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
Resolution 1.23 Å R-free 0.157
4RK8 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356 Deposited 2014-10-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.22 Å R-free 0.177
4RKA Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347 Deposited 2014-10-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.71 Å R-free 0.228
4RLI Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 Deposited 2014-10-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.50 Å R-free 0.206
4RR4 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367 Deposited 2014-11-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.38 Å R-free 0.207
4YLW Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound Deposited 2015-03-06 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.79 Å R-free 0.178
4ZL1 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18X at 1.86 A resolution Deposited 2015-05-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.86 Å R-free 0.179
4ZMG Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with DH03A338 Deposited 2015-05-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.90 Å R-free 0.198
5H2Z Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF Deposited 2016-10-19 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.58 Å R-free 0.186
5H73 Crystal structure of human DHODH with 18F Deposited 2016-11-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 30-395
Not recorded 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 crystallization conditions 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
Resolution 1.58 Å R-free 0.186
5HIN Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18L compound Deposited 2016-01-12 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.60 Å R-free 0.182
5HQE Crystal structure of human dihydroorotate dehydrogenase (DHODH) with compound 18T Deposited 2016-01-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：UNP residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.62 Å R-free 0.182
5K9C Crystal structure of human dihydroorotate dehydrogenase with ML390 Deposited 2016-05-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.66 Å R-free 0.150
5K9D Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution Deposited 2016-05-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.70 Å R-free 0.160
5MUT Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds Deposited 2017-01-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–395（365 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.75 Å R-free 0.198
5MVC Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds Deposited 2017-01-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.85 Å R-free 0.189
5MVD Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds Deposited 2017-01-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 33–395（363 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.95 Å R-free 0.202
5TCE N-terminal microdomain of 34-mers from HsDHODH - N-t(DH) Deposited 2016-09-14 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 32–65（34 aa） Fragment：residues 32-65
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.4；310 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition 700 uM peptide, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
5ZF4 Structure of human dihydroorotate dehydrogenase in complex with 275-10-COOMe Deposited 2018-03-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.66 Å R-free 0.181
5ZF7 Structure of human dihydroorotate dehydrogenase in complex with 277-9-OH Deposited 2018-03-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.79 Å R-free 0.180
5ZF8 Structure of human dihydroorotate dehydrogenase in complex with 277-11-OAc Deposited 2018-03-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.70 Å R-free 0.182
5ZF9 Structure of human dihydroorotate dehydrogenase in complex with 280-12 Deposited 2018-03-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.77 Å R-free 0.181
5ZFA Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr Deposited 2018-03-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.75 Å R-free 0.183
5ZFB Structure of human dihydroorotate dehydrogenase in complex with ascofuranone (open-form) Deposited 2018-03-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.00 Å R-free 0.189
6CJF Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 Deposited 2018-02-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 32–395（364 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.63 Å R-free 0.189
6CJF Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 Deposited 2018-02-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 32–395（364 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.63 Å R-free 0.189
6CJG Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 Deposited 2018-02-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 32–395（364 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.85 Å R-free 0.206
6ET4 HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR Deposited 2017-10-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：N-TERMINALLY TRUNCATED HUMAN DHODH, RESIDUES 29-395
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；30% glycerol, 100 mM Sodium acetate pH 4.8, 2 M Ammoniumsulphate
Resolution 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 Deposited 2018-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–395（395 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.58 Å R-free 0.160
6GK0 HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR Deposited 2018-05-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.85 Å R-free 0.193
6IDJ Crystal structure of human DHODH in complex with ferulenol Deposited 2018-09-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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,
Resolution 1.90 Å R-free 0.178
6J3B Crystal structure of human DHODH in complex with inhibitor 1289 Deposited 2019-01-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；HEPES pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol
Resolution 1.60 Å R-free 0.176
6J3C Crystal structure of human DHODH in complex with inhibitor 1291 Deposited 2019-01-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol
Resolution 1.85 Å R-free 0.195
6JMD Crystal structure of human DHODH in complex with inhibitor 1223 Deposited 2019-03-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol
Resolution 1.78 Å R-free 0.177
6JME Crystal structure of human DHODH in complex with inhibitor 0946 Deposited 2019-03-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol
Resolution 1.80 Å R-free 0.170
6LP6 Crystal structure of human DHODH in complex with inhibitor 1214 Deposited 2020-01-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6 2M AMMONIUM SULPHATE 30%Glycerol
Resolution 1.79 Å R-free 0.178
6LP7 Crystal structure of human DHODH in complex with inhibitor 0944 Deposited 2020-01-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6 2M AMMONIUM SULPHATE 30%Glycerol
Resolution 1.80 Å R-free 0.171
6LP8 Crystal structure of human DHODH in complex with inhibitor 1243 Deposited 2020-01-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；hepes pH4.6 2M AMMONIUM SULPHATE 30%Glycerol
Resolution 1.79 Å R-free 0.174
6LZL Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine Deposited 2020-02-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–395（365 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；HEPES pH 7.7, NaCl, 20% Glycerol, EDTA, UDAO, DDAO
Resolution 1.98 Å R-free 0.209
6M2B Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 Deposited 2020-02-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.76 Å R-free 0.193
6OC0 Crystal structure of human DHODH with OSU-03012 Deposited 2019-03-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-395
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；Ammonium sulfate, glycerol, DHO, DDAO, OSU-03012
Resolution 1.40 Å R-free 0.184
6OC1 Crystal structure of human DHODH with TAK-632 Deposited 2019-03-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-395
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；Sodium Phosphate
Resolution 2.70 Å R-free 0.294
6QU7 Crystal structure of human DHODH in complex with BAY 2402234 Deposited 2019-02-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.3 M NH4SO4, 0.1 M Na-acetate, 30% Glycerol
Resolution 1.52 Å R-free 0.173
6SYP Human DHODH bound to inhibitor IPP/CNRS-A017 Deposited 2019-09-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–395（395 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.8；293 K；32% PEG 400 0.2M KSCN 0.2M NaBr 0.1M acetate 4.8
Resolution 1.80 Å R-free 0.203
6VND Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.8；293 K；2.5 M ammonium sulfate, 30% glycerol, 0.1 M sodium acetate, pH 4.8
Resolution 1.97 Å R-free 0.190
7K2U DHODH IN COMPLEX WITH LIGAND 13 Deposited 2020-09-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：TRUNCATED
Not recorded 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 crystallization conditions 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
Resolution 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. Deposited 2022-03-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Ammonium sulfate 2 M, 100 mM sodium acetate pH 4.8, 30% glycerol.
Resolution 1.85 Å R-free 0.190
8DHF DHODH IN COMPLEX WITH LIGAND 11 Deposited 2022-06-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：TRUNCATED
Not recorded 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 crystallization conditions 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
Resolution 1.78 Å R-free 0.181
8DHG DHODH IN COMPLEX WITH LIGAND 19 Deposited 2022-06-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：TRUNCATED
Not recorded 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 crystallization conditions VAPOR DIFFUSION；pH 4.8；293 K；0.10 M Sodium Acetate pH 4.8, 2.30 M (NH4)2SO4, 30% Glycerol
Resolution 1.85 Å R-free 0.186
8DHH DHODH IN COMPLEX WITH LIGAND 29 Deposited 2022-06-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：TRUNCATED
Not recorded 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 crystallization conditions VAPOR DIFFUSION；pH 4.8；293 K；0.10 M Sodium Acetate pH4.8, 2.30 M (NH4)2SO4, 30% Glycerol
Resolution 2.02 Å R-free 0.216
8K4F DHODH in complex with compound A0 Deposited 2023-07-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M PH 4.6 CH3COONa, 1.6-2.0 M (NH4)2SO4, 30-36% glycerol
Resolution 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 Deposited 2023-12-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；2M ammonium sulphate, 100 mM sodium acetate pH 4.8, and 30 % v/v glycerol
Resolution 1.85 Å R-free 0.186
8VHL Structure of DHODH in Complex with Ligand 17 Deposited 2024-01-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.93 Å R-free 0.199
8VHM Structure of DHODH in Complex with Fragment 2 Deposited 2024-01-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-395
Not recorded 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 crystallization conditions VAPOR DIFFUSION；pH 4.8；293 K；0.10 M NaAcetate pH 4.8, 2.30 M (NH4)2SO4, 30% Glycerol
Resolution 2.26 Å R-free 0.228
8YHR DHODH in complex with furocoumavirin Deposited 2024-02-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Sodium acetate (pH 4.8), Ammonium sulfate, Glycerol
Resolution 1.70 Å R-free 0.165
9BKM DHODH in complex with Ligand 10 Deposited 2024-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 2.08 Å R-free 0.228
9BKN DHODH in complex with Ligand 16 Deposited 2024-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION；293 K；0.10 M NaAcetate pH=4.8, 2.0 M (NH4)2SO4, 30 % Glycerol
Resolution 1.30 Å R-free 0.152
9BKO DHODH in complex with Ligand 26 Deposited 2024-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION；293 K；0.10 M NaAcetate pH 4.8, 2.0 M (NH4)2SO4, 30 % Glycerol
Resolution 1.44 Å R-free 0.170
9CCC Crystal structure of human dihydroorotate dehydrogenase with new alkyne ligand Deposited 2024-06-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 2.00 Å R-free 0.273
9CZE High-Resolution Structure of Human DHODH for Molecular Replacement in Fragment Screening Campaign Deposited 2024-08-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-395
Not recorded 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 crystallization conditions 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
Resolution 1.60 Å R-free 0.197
9DHG DHODH in complex with Compound 5 Deposited 2024-09-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-295
Not recorded 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 crystallization conditions VAPOR DIFFUSION；293 K；0.10 M NaAc pH4.8, 2.0 M (NH4)2SO4, 30 % (v/v) Glycerol
Resolution 1.39 Å R-free 0.139
9DHH DHODH in complex with Compound 8 Deposited 2024-09-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：TRUNCATED
Not recorded 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 crystallization conditions VAPOR DIFFUSION；293 K；0.10 M NaAcetate pH4.8, 2.0 M (NH4)2SO4 30 % Glycerol
Resolution 1.49 Å R-free 0.156
9DHI DHODH in complex with Compound 7 Deposited 2024-09-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-295
Not recorded 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 crystallization conditions VAPOR DIFFUSION；293 K；0.10 M NaAc pH4.8, 2.0 M (NH4)2SO4, 30 % (v/v) Glycerol
Resolution 1.38 Å R-free 0.139
9DHJ DHODH in complex with Compound 15 Deposited 2024-09-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa） Fragment：residues 29-295
Not recorded 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 crystallization conditions VAPOR DIFFUSION；293 K；0.10 M NaAc pH4.8, 2.0 M (NH4)2SO4, 30 % (v/v) Glycerol
Resolution 1.40 Å R-free 0.144
9EG9 Crystal structure of human dihydroorotate dehydrogenase in complex with lapachol Deposited 2024-11-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 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 Deposited 2024-04-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；2 M ammonium sulphate, 100 mM sodium acetate pH 4.8 and 20 % v/v glycerol
Resolution 2.60 Å R-free 0.233
9I2Y Human DHODH in Complex with QC6352 Deposited 2025-01-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–395（365 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；34% PEG 400 0.2 M KSCN 0.2 M NaBr 0.1M acetate pH 4.8
Resolution 1.95 Å R-free 0.198
9M4M Crystal structure of human DHODH in complex with Lapachol derivatives, 511-12 Deposited 2025-03-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.75 Å R-free 0.176
9M4O Crystal structure of human DHODH in complex with Lapachol Deposited 2025-03-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions 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
Resolution 1.75 Å R-free 0.171
9S1I Crystal structure of human Dihydroorotate Dehydrogenase in complex with arzanol Deposited 2025-07-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；2M Ammonium Sulphate, 100 mM Sodium Acetate pH 4.8, 20 % glycerol
Resolution 1.61 Å R-free 0.175
9UB2 Crystal structure of human DHODH in complex with inhibitor 006 Deposited 2025-04-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 30–395（366 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；293.15 K；acetate, ammonium sulfate, glycerol, sodium chloride, 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid, ethylenediaminetetraacetic acid
Resolution 1.90 Å R-free 0.222
9V34 Crystal structure of DHODH inhibitor HL6 in complex with DHODH Deposited 2025-05-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–395（367 aa）
Not recorded 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 crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Sodium chloride, 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid, Ethylene Diamine Tetraacetic Acid, Glycerol
Resolution 1.60 Å R-free 0.203

104 other PDB entries and 106 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PYRD_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 24–390； UniProt 29–395

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 3w7r

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3w7r
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3w7r
Deposition date deposition_date2013-03-06
Structure title titleStructure of Human dihydroorotate dehydrogenase in complex with mii-4-097
Keywords keywords;Rossmann Fold, Oxidoreductase, Dihydroorotate/orotate and ubiquinone/ubiquinol, Mitochondrial inner membrane, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex ;; OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier20.75 Å
Radius of gyration Rg (electron density) rg_electron19.72 Å
Forward intensity I(0) i033657800.00
Molecular weight molecular_weight44823.0 kDa
Excluded volume excluded_volume56331 ų
Envelope volume envelope_volume62882 ų
Hydration-shell volume shell_volume25260 ų
Envelope diameter envelope_diameter67.3 Å
Shell Rg shell_rg27.54 Å
Envelope Rg envelope_rg20.18 Å
Shape Rg shape_rg19.65 Å
Total Rg total_rg20.88 Å
Total atoms total_atoms3137
Residues n_residues367
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax64.3 Å
Rg (real space) rg_real20.57 Å
Rg uncertainty (real space) rg_real_error0.33 Å
I(0) (real space) i0_real3.3660e+07
I(0) uncertainty (real space) i0_real_error4.1210e+05
Rg (reciprocal space) rg_reciprocal20.60 Å
I(0) (reciprocal space) i0_reciprocal33660000.0000
Solution quality estimate total_estimate0.8107
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary27.1 Å
Skewness Skewness skewness0.056
Kurtosis Kurtosis kurtosis-0.478
Angular range angular_range— – 0.3850 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha10110000.0000
Real-space data points n_real_points70
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.855; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (10)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd3w7ra_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.1 — TIM beta/alpha-barrel
Superfamily Superfamily superfamilyc.1.4 — FMN-linked oxidoreductases
Family Family familyc.1.4.1 — FMN-linked oxidoreductases

CATH v4.4 (1 domains)

Domain ID domain_id3w7rA00
Class class3 — Alpha Beta
Architecture architecture20 — Alpha-Beta Barrel
Topology topology20 — TIM Barrel
Homologous superfamily homologous superfamily70 — Aldolase class I
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8. Citations (1)

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9. Files and Curves (10)