3p89

FXR bound to a quinolinecarboxylic acid

Method: X-RAY DIFFRACTION D_max: 58.6 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Farnesoid X receptor

Homo sapiens

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 244–472	Fragment：unp residues 244-472 Mutation：C432E, C466E	Nuclear receptor coactivator 1 × 1 （A8K1V4） 89P 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 20%, .2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.30 Å R-free 0.255
2	Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count	Chain A； UniProt 244–472	Fragment：unp residues 244-472 Mutation：C432E, C466E	Nuclear receptor coactivator 1 × 3 （A8K1V4） 89P 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid × 3 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 20%, .2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.30 Å R-free 0.255
3	Protein heterocomplex Heteromer Protein × 24 PDB declaration: 24-meric（24） Consistent with protein copy count	Chain A； UniProt 244–472	Fragment：unp residues 244-472 Mutation：C432E, C466E	Nuclear receptor coactivator 1 × 12 （A8K1V4） 89P 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid × 12 SO4 SULFATE ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 20%, .2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.30 Å R-free 0.255

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 3P89	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
3P88 FXR bound to isoquinolinecarboxylic acid Deposited 2010-10-13	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 244–472（229 aa） Fragment：unp residues 244-472	Mutation：C432E, C466E	P88 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 22%, Hepes, 0.2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.95 Å R-free 0.289
3P88 FXR bound to isoquinolinecarboxylic acid Deposited 2010-10-13	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 24 PDB declaration: 24-meric	Chain A 244–472（229 aa） Fragment：unp residues 244-472	Mutation：C432E, C466E	P88 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid × 12 SO4 SULFATE ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 22%, Hepes, 0.2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.95 Å R-free 0.289
3P88 FXR bound to isoquinolinecarboxylic acid Deposited 2010-10-13	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 244–472（229 aa） Fragment：unp residues 244-472	Mutation：C432E, C466E	P88 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid × 3 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 22%, Hepes, 0.2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.95 Å R-free 0.289

1 other PDB entries and 3 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	B6ZGS9_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–229； UniProt 244–472

Nuclear receptor coactivator 1

Homo sapiens

UniProt A8K1V4

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 745–755	Fragment：unp residues 745-755	Farnesoid X receptor × 1 （B6ZGS9） 89P 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 20%, .2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.30 Å R-free 0.255
2	Protein heterocomplex Heteromer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count	Chain B； UniProt 745–755	Fragment：unp residues 745-755	Farnesoid X receptor × 3 （B6ZGS9） 89P 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid × 3 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 20%, .2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.30 Å R-free 0.255
3	Protein heterocomplex Heteromer Protein × 24 PDB declaration: 24-meric（24） Consistent with protein copy count	Chain B； UniProt 745–755	Fragment：unp residues 745-755	Farnesoid X receptor × 12 （B6ZGS9） 89P 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid × 12 SO4 SULFATE ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 20%, .2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.30 Å R-free 0.255

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 3P89	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
3P88 FXR bound to isoquinolinecarboxylic acid Deposited 2010-10-13	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 745–755（11 aa） Fragment：unp residues 745-755	Not recorded	P88 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 22%, Hepes, 0.2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.95 Å R-free 0.289
3P88 FXR bound to isoquinolinecarboxylic acid Deposited 2010-10-13	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 24 PDB declaration: 24-meric	Chain B 745–755（11 aa） Fragment：unp residues 745-755	Not recorded	P88 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid × 12 SO4 SULFATE ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 22%, Hepes, 0.2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.95 Å R-free 0.289
3P88 FXR bound to isoquinolinecarboxylic acid Deposited 2010-10-13	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain B 745–755（11 aa） Fragment：unp residues 745-755	Not recorded	P88 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid × 3 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；peg3350 22%, Hepes, 0.2 M Li2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.95 Å R-free 0.289
5Q0J Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9KV (2S)-N,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1H-benzimidazol-1-yl]acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2 M Na Chloride, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 2.00 Å R-free 0.247
5Q0J Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9KV (2S)-N,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1H-benzimidazol-1-yl]acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2 M Na Chloride, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 2.00 Å R-free 0.247
5Q0K Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7.5；298 K；0.2M MgCl2, 0.1M HEPES pH 7.5, 25%PEG3350	Resolution 1.80 Å R-free 0.271
5Q0L Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9KY (2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 2.50 Å R-free 0.263
5Q0L Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9KY (2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 2.50 Å R-free 0.263
5Q0M Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9L1 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7.5；298 K；0.1 M HEPES pH 7.5, 1.4 M Sodium Citrate	Resolution 2.20 Å R-free 0.262
5Q0N Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9L4 3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7.5；298 K；0.2 M Mg Chloride, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350	Resolution 2.40 Å R-free 0.226
5Q0N Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9L4 3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7.5；298 K；0.2 M Mg Chloride, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350	Resolution 2.40 Å R-free 0.226
5Q0O Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	CL CHLORIDE ION × 1 9L7 (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2M NaCl, 0.1M Bis-Tris pH 6.5, 25% PEG3350	Resolution 1.90 Å R-free 0.222
5Q0O Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9L7 (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2M NaCl, 0.1M Bis-Tris pH 6.5, 25% PEG3350	Resolution 1.90 Å R-free 0.222
5Q0P Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LA 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 5.5；298 K；0.1M Bis-Tris pH 5.5, 2M Ammonium Sulfate	Resolution 1.80 Å R-free 0.254
5Q0P Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LA 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 5.5；298 K；0.1M Bis-Tris pH 5.5, 2M Ammonium Sulfate	Resolution 1.80 Å R-free 0.254
5Q0Q Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LD ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7.5；298 K；0.1 M HEPES pH 7.5, 2.0 M Ammonium Sulfate	Resolution 2.60 Å R-free 0.295
5Q0Q Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LD ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7.5；298 K；0.1 M HEPES pH 7.5, 2.0 M Ammonium Sulfate	Resolution 2.60 Å R-free 0.295
5Q0R Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LG N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2 M Mg Chloride, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.91 Å R-free 0.244
5Q0S Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LJ (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000	Resolution 2.50 Å R-free 0.260
5Q0S Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LJ (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000	Resolution 2.50 Å R-free 0.260
5Q0T Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LM 2-phenyl-N-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7；298 K；3.5 M Sodium Formate pH 7.0	Resolution 2.14 Å R-free 0.259
5Q0U Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LP trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000	Resolution 1.90 Å R-free 0.218
5Q0U Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LP trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000	Resolution 1.90 Å R-free 0.218
5Q0V Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LS (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.87 Å R-free 0.238
5Q0V Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LS (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.87 Å R-free 0.238
5Q0W Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa）	Not recorded	9LV 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 8.5；298 K；0.2M MgCl2, 0.1M Tris pH 8.5, 25%PEG3350	Resolution 1.90 Å R-free 0.254
5Q0X Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	643 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox ylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2 M Mg Chloride, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 2.26 Å R-free 0.233
5Q0Y Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LY (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；298 K；25% w/v PEG 1500	Resolution 2.20 Å R-free 0.220
5Q0Y Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9LY (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；298 K；25% w/v PEG 1500	Resolution 2.20 Å R-free 0.220
5Q0Z Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9M1 ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6；298 K；0.1 M Bis-Tris pH 6.0, 20% w/v PEG 3350	Resolution 2.26 Å R-free 0.258
5Q0Z Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9M1 ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6；298 K；0.1 M Bis-Tris pH 6.0, 20% w/v PEG 3350	Resolution 2.26 Å R-free 0.258
5Q10 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9M4 N-[3-(acetylamino)phenyl]-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 8.5；298 K；0.2M MgCl2, 0.1M Tris pH 8.5, 25%PEG3350	Resolution 2.20 Å R-free 0.243
5Q11 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9M7 N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1M Bis-Tris pH 6.5, 2M Ammonium Sulfate	Resolution 2.20 Å R-free 0.223
5Q12 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MA 2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 8.5；298 K；0.2 M Li Sulfate, 0.1 M Tris pH 8.5, 25% w/v PEG 3350	Resolution 2.00 Å R-free 0.233
5Q13 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MD (2S)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzimidazol-1-yl]-N-cyclohexyl-2-[(2S)-oxan-2-yl]acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.90 Å R-free 0.226
5Q13 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MD (2S)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzimidazol-1-yl]-N-cyclohexyl-2-[(2S)-oxan-2-yl]acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.90 Å R-free 0.226
5Q14 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MM 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2 M Ammonium Acetate, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.85 Å R-free 0.247
5Q14 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MM 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2 M Ammonium Acetate, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.85 Å R-free 0.247
5Q15 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MP (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 3.5；298 K；0.1 M Citric Acid pH 3.5, 3.0 M Sodium Chloride	Resolution 1.90 Å R-free 0.255
5Q15 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MP (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 3.5；298 K；0.1 M Citric Acid pH 3.5, 3.0 M Sodium Chloride	Resolution 1.90 Å R-free 0.255
5Q16 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MS (2S)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000	Resolution 2.00 Å R-free 0.284
5Q16 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MS (2S)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000	Resolution 2.00 Å R-free 0.284
5Q18 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MY (2S)-2-cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.90 Å R-free 0.240
5Q18 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9MY (2S)-2-cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.90 Å R-free 0.240
5Q19 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9N1 (2S)-N,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 24% w/v PEG 3350	Resolution 1.98 Å R-free 0.237
5Q19 Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9N1 (2S)-N,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 24% w/v PEG 3350	Resolution 1.98 Å R-free 0.237
5Q1A Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9N4 (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 20% w/v PEG MME 5000	Resolution 2.00 Å R-free 0.235
5Q1A Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9N4 (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 20% w/v PEG MME 5000	Resolution 2.00 Å R-free 0.235
5Q1B Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9N7 4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000	Resolution 2.30 Å R-free 0.236
5Q1B Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9N7 4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 28% w/v PEG MME 2000	Resolution 2.30 Å R-free 0.236
5Q1C Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NA (2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7.5；298 K；0.2 M Ammonium Sulfate, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350	Resolution 2.30 Å R-free 0.264
5Q1C Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NA (2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7.5；298 K；0.2 M Ammonium Sulfate, 0.1 M HEPES pH 7.5, 25% w/v PEG 3350	Resolution 2.30 Å R-free 0.264
5Q1D Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9ND (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2 M Na Chloride, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.89 Å R-free 0.244
5Q1D Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9ND (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2 M Na Chloride, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.89 Å R-free 0.244
5Q1E Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NG 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 7.5；298 K；0.2M MgCl2, 0.1M HEPES pH 7.5, 25%PEG3350	Resolution 1.85 Å R-free 0.223
5Q1F Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NJ trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 2.30 Å R-free 0.245
5Q1F Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NJ trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 2.30 Å R-free 0.245
5Q1G Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NM (2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.1M Bis-Tris pH 6.5, 2M Ammonium Sulfate	Resolution 2.00 Å R-free 0.254
5Q1H Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NP (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 5.5；298 K；0.1 M BIS-TRIS pH 5.5, 25%PEG3350	Resolution 2.20 Å R-free 0.218
5Q1H Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NP (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 5.5；298 K；0.1 M BIS-TRIS pH 5.5, 25%PEG3350	Resolution 2.20 Å R-free 0.218
5Q1H Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NP (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 5.5；298 K；0.1 M BIS-TRIS pH 5.5, 25%PEG3350	Resolution 2.20 Å R-free 0.218
5Q1H Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9NP (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 5.5；298 K；0.1 M BIS-TRIS pH 5.5, 25%PEG3350	Resolution 2.20 Å R-free 0.218
5Q1I Ligand binding to FARNESOID-X-RECEPTOR Deposited 2017-05-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 744–757（14 aa） Fragment：UNP residues 744-757	Not recorded	9O1 3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions evaporation, hanging drop；pH 6.5；298 K；0.2 M Mg Chloride, 0.1 M Bis-Tris pH 6.5, 25% w/v PEG 3350	Resolution 1.95 Å R-free 0.225

36 other PDB entries and 63 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	NCOA1_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–11； UniProt 745–755

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

P(r) Distance Distribution P(r) Distribution

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

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	3p89
Deposition date deposition_date	2010-10-13
Structure title title	FXR bound to a quinolinecarboxylic acid
Keywords keywords	nuclear receptor FXR, TRANSCRIPTION-INHIBITOR complex; TRANSCRIPTION/INHIBITOR
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	18.89 Å
Radius of gyration Rg (electron density) rg_electron	17.47 Å
Forward intensity I(0) i0	12632500.00
Molecular weight molecular_weight	26845.0 kDa
Excluded volume excluded_volume	33647 Å³
Envelope volume envelope_volume	38533 Å³
Hydration-shell volume shell_volume	18266 Å³
Envelope diameter envelope_diameter	58.6 Å
Shell Rg shell_rg	23.86 Å
Envelope Rg envelope_rg	17.77 Å
Shape Rg shape_rg	17.48 Å
Total Rg total_rg	18.42 Å
Total atoms total_atoms	1891
Residues n_residues	234
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	58.6 Å
Rg (real space) rg_real	18.77 Å
Rg uncertainty (real space) rg_real_error	0.36 Å
I(0) (real space) i0_real	1.2630e+07
I(0) uncertainty (real space) i0_real_error	1.5920e+05
Rg (reciprocal space) rg_reciprocal	18.79 Å
I(0) (reciprocal space) i0_reciprocal	12630000.0000
Solution quality estimate total_estimate	0.8138
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	24.4 Å
Skewness Skewness skewness	0.135
Kurtosis Kurtosis kurtosis	-0.439
Angular range angular_range	— – 0.4200 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	2816000.0000
Real-space data points n_real_points	73
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.873; Stabil: 0.988; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Farnesoid X receptor
Molecular weight formula_weight	26854.7 kDa
Mutation mutation	C432E, C466E
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1967

ELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFAELLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLEEIWDVQ

来源 Source

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

Entity 2 Entity 2 polymer

Description description	Nuclear receptor coactivator 1
Molecular weight formula_weight	1416.6 kDa
EC 编号 ec_number	2.3.1.48
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

DHQLLRYLLDK

来源 Source

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

Entity 3 Entity 3 non-polymer

Description description	6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid
Molecular weight formula_weight	533.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	76

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d3p89a_
Class class	a — All alpha proteins
Fold Fold fold	a.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamily	a.123.1 — Nuclear receptor ligand-binding domain
Family Family family	a.123.1.1 — Nuclear receptor ligand-binding domain

CATH v4.4 (1 domains)

Domain ID domain_id	3p89A00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	565 — Retinoid X Receptor
Homologous superfamily homologous superfamily	10 — Retinoid X Receptor

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8. Citations (1)

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Unit-cell length a length_a	159.911 Å
Unit-cell length b length_b	159.911 Å
Unit-cell length c length_c	159.911 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	48

Space group space_group	F 2 3
Space-group number int_tables_number	196
Crystal system crystal_system	—

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	48.220 Å
R factor r_factor	0.2276
R_work r_work	0.2254
R_free r_free	0.2547

fit	/app/data/saxs_computation/p8/3p89/3p89.fit
pddf	/app/data/pr_computation/p8/3p89/3p89.pr.out
profile	/app/data/saxs_computation/p8/3p89/3p89.dat

FXR bound to a quinolinecarboxylic acid

1. Protein Identity and Related Structures Protein Identity & Related Structures

Farnesoid X receptor

State in the Current Structure

Other States of the Same Protein in the Database

Nuclear receptor coactivator 1

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

CATH v4.4 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)