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6s4t

LXRbeta ligand binding domain in comlpex with small molecule inhibitors

Method: X-RAY DIFFRACTION Dmax: 65.7 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Oxysterols receptor LXR-beta

Homo sapiens

UniProt P55055

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 216–460 Not recorded KVB 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 6.5；293 K；100 mM Bis-Tris pH 6.5, 2 M sodium formate and 100 mM NaCl Resolution 2.00 Å R-free 0.238

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 6S4T Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1P8D X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol Deposited 2003-05-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 214–461（248 aa） Fragment：Liver X Receptor beta ligand binding domain (residues 214-461)
Not recorded CO1 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；10-12% PEG3350-8000, 0.2M NaCl , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.80 Å R-free 0.277
1P8D X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol Deposited 2003-05-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 214–461（248 aa） Fragment：Liver X Receptor beta ligand binding domain (residues 214-461)
Not recorded CO1 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；10-12% PEG3350-8000, 0.2M NaCl , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.80 Å R-free 0.277
1P8D X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol Deposited 2003-05-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 214–461（248 aa） Fragment：Liver X Receptor beta ligand binding domain (residues 214-461)
Chain B 214–461（248 aa） Fragment：Liver X Receptor beta ligand binding domain (residues 214-461)
Not recorded CO1 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；10-12% PEG3350-8000, 0.2M NaCl , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.80 Å R-free 0.277
1PQ6 HUMAN LXR BETA HORMONE RECEPTOR / GW3965 COMPLEX Deposited 2003-06-18 Different construct Different mutation/modification 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 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain B 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Not recorded 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid × 2 IPA ISOPROPYL ALCOHOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, PEG 4000, HEPES, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.40 Å R-free 0.262
1PQ6 HUMAN LXR BETA HORMONE RECEPTOR / GW3965 COMPLEX Deposited 2003-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain D 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Not recorded 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, PEG 4000, HEPES, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.40 Å R-free 0.262
1PQ6 HUMAN LXR BETA HORMONE RECEPTOR / GW3965 COMPLEX Deposited 2003-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain C 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain D 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Not recorded 965 [3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid × 2 IPA ISOPROPYL ALCOHOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, PEG 4000, HEPES, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.40 Å R-free 0.262
1PQ9 HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX Deposited 2003-06-18 Different construct Different mutation/modification 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 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain B 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Not recorded BNS benzenesulfonic acid × 2 44B 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, peg 4000, hepes, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.254
1PQ9 HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX Deposited 2003-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain D 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Not recorded BNS benzenesulfonic acid × 2 44B 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, peg 4000, hepes, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.254
1PQ9 HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX Deposited 2003-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain B 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain C 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain D 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Not recorded BNS benzenesulfonic acid × 4 44B 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, peg 4000, hepes, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.254
1PQ9 HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX Deposited 2003-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Chain D 213–461（249 aa） Fragment：Ligand binding domain, residues 213-461
Not recorded BNS benzenesulfonic acid × 2 44B 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, peg 4000, hepes, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.254
1PQC HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 Deposited 2003-06-18 Different construct Different mutation/modification 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 213–461（249 aa） Fragment：Ligand binding domain, residues 213-261
Chain B 213–461（249 aa） Fragment：Ligand binding domain, residues 213-261
Not recorded 444 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, peg 4000, hepes, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.80 Å R-free 0.262
1PQC HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 Deposited 2003-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 213–461（249 aa） Fragment：Ligand binding domain, residues 213-261
Chain D 213–461（249 aa） Fragment：Ligand binding domain, residues 213-261
Not recorded 444 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, peg 4000, hepes, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.80 Å R-free 0.262
1PQC HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 Deposited 2003-06-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 213–461（249 aa） Fragment：Ligand binding domain, residues 213-261
Chain B 213–461（249 aa） Fragment：Ligand binding domain, residues 213-261
Chain C 213–461（249 aa） Fragment：Ligand binding domain, residues 213-261
Chain D 213–461（249 aa） Fragment：Ligand binding domain, residues 213-261
Not recorded 444 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；isopropanol, peg 4000, hepes, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.80 Å R-free 0.262
1UPV Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist Deposited 2003-10-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 209–461（253 aa） Fragment：LIGAND BINDING DOMAIN, RESIDUES 209-461
Not recorded 444 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；RESERVOIR: 25% MPD, 10% PEG4K, 100 MM HEPES PH 7.5, 10 MM D PROTEIN: 4-8 MG/ML IN 20 MM TRIS PH 8.0, 100 MM NACL, 10 MM
Resolution 2.10 Å R-free 0.274
1UPW Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist Deposited 2003-10-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 209–461（253 aa） Fragment：LIGAND BINDING DOMAIN, RESIDUES 209-461
Not recorded 444 N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；RESERVOIR: 25% MPD, 10% PEG4K, 100 MM HEPES PH 7.5, 10 MM D PROTEIN: 4-8 MG/ML IN 20 MM TRIS PH 8.0, 100 MM NACL, 10 MM
Resolution 2.40 Å R-free 0.295
3KFC Complex Structure of LXR with an agonist Deposited 2009-10-27 Different construct Different mutation/modification 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 213–461（249 aa） Fragment：Ligand binding Domain
Chain B 213–461（249 aa） Fragment：Ligand binding Domain
Not recorded 61X 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；292 K；0.1 M Hepes, 15% PEG4K, 5.33% iso-propanol, 6.4% glycerol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.40 Å R-free 0.284
3KFC Complex Structure of LXR with an agonist Deposited 2009-10-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 213–461（249 aa） Fragment：Ligand binding Domain
Chain D 213–461（249 aa） Fragment：Ligand binding Domain
Not recorded 61X 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；292 K；0.1 M Hepes, 15% PEG4K, 5.33% iso-propanol, 6.4% glycerol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.40 Å R-free 0.284
3L0E X-ray crystal structure of a Potent Liver X Receptor Modulator Deposited 2009-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 213–461（249 aa） Fragment：UNP residues 213-461
Mutation：C238S, C326S, R361S, R362S, Q445A, K447A, K448A G58 N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1:1 (v/v) ratio of the protein complex and PEG 2K MME 20%, 0.2mM MgCl2, 0.1mM TRIS HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.237
3L0E X-ray crystal structure of a Potent Liver X Receptor Modulator Deposited 2009-12-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 213–461（249 aa） Fragment：UNP residues 213-461
Mutation：C238S, C326S, R361S, R362S, Q445A, K447A, K448A G58 N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1:1 (v/v) ratio of the protein complex and PEG 2K MME 20%, 0.2mM MgCl2, 0.1mM TRIS HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.237
4DK7 Crystal structure of LXR ligand binding domain in complex with full agonist 1 Deposited 2012-02-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 218–460（243 aa） Fragment：UNP residues 218-460
Chain C 218–460（243 aa） Fragment：UNP residues 218-460
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) 0KS N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide × 2 ACT ACETATE ION × 1 CA CALCIUM ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；293 K；0.1 M Tris pH 8, 12% PEG 10000, 0.2 M calcium acetate, 0.005 M DTT, vapor diffusion, temperature 293K
Resolution 2.45 Å R-free 0.270
4DK8 Crystal structure of LXR ligand binding domain in complex with partial agonist 5 Deposited 2012-02-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 218–460（243 aa） Fragment：UNP residues 218-460
Chain C 218–460（243 aa） Fragment：UNP residues 218-460
Not recorded 0KT N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide × 2 ACT ACETATE ION × 1 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；293 K；0.1 M Tris, 12% PEG 10000, 0.2 M calcium acetate, 0.005 M DTT, pH 8, vapor diffusion, temperature 293K
Resolution 2.75 Å R-free 0.278
4RAK Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed with partial agonist Deposited 2014-09-10 Different construct Different mutation/modification 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 213–460（248 aa） Fragment：UNP residues 213-460
Chain B 213–460（248 aa） Fragment：UNP residues 213-460
Not recorded BU1 1,4-BUTANEDIOL × 3 652 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.04 Å R-free 0.271
4RAK Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed with partial agonist Deposited 2014-09-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 213–460（248 aa） Fragment：UNP residues 213-460
Chain B 213–460（248 aa） Fragment：UNP residues 213-460
Not recorded BU1 1,4-BUTANEDIOL × 6 652 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.04 Å R-free 0.271
5HJP Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease Deposited 2016-01-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 216–460（245 aa）
Mutation：Q258A,R260G,D261S,R263S 668 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16% to 22% PEG3350, 0.2M K-Na Tartrate
Resolution 2.60 Å R-free 0.283
5HJP Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease Deposited 2016-01-13 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 216–460（245 aa）
Mutation：Q258A,R260G,D261S,R263S 668 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；16% to 22% PEG3350, 0.2M K-Na Tartrate
Resolution 2.60 Å R-free 0.283
5I4V Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists Deposited 2016-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 210–460（251 aa）
Mutation：Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S 67S {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
Resolution 2.61 Å R-free 0.248
5I4V Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists Deposited 2016-02-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 210–460（251 aa）
Mutation：Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S,Q259A, R261G, D262S, R264S 67S {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
Resolution 2.61 Å R-free 0.248
5JY3 CRYSTAL STRUCTURE OF LXRbeta (NUCLEAR RECEPTOR SUBFAMILY 1, GROUP H, MEMBER 2) COMPLEXED WITH BMS-852927 Deposited 2016-05-13 Different construct Different mutation/modification 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 213–460（248 aa） Fragment：UNP residues 213-460
Chain B 213–460（248 aa） Fragment：UNP residues 213-460
Not recorded 6OX 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol × 2 BU1 1,4-BUTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K
Resolution 2.40 Å R-free 0.268
5JY3 CRYSTAL STRUCTURE OF LXRbeta (NUCLEAR RECEPTOR SUBFAMILY 1, GROUP H, MEMBER 2) COMPLEXED WITH BMS-852927 Deposited 2016-05-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 213–460（248 aa） Fragment：UNP residues 213-460
Chain D 213–460（248 aa） Fragment：UNP residues 213-460
Not recorded 6OX 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol × 2 BU1 1,4-BUTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K
Resolution 2.40 Å R-free 0.268
5KYA Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core Deposited 2016-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 209–460（252 aa）
Mutation：G213H, E214M, Q259A, R261G, D262S, R264S 6Y4 [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
Resolution 2.60 Å R-free 0.249
5KYA Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core Deposited 2016-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 209–460（252 aa）
Mutation：G213H, E214M, Q259A, R261G, D262S, R264S 6Y4 [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
Resolution 2.60 Å R-free 0.249
5KYJ Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core Deposited 2016-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 210–460（251 aa）
Mutation：G213H, E214M, Q259A, R261G, D262S, R264S 6Y8 (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
Resolution 2.80 Å R-free 0.253
5KYJ Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core Deposited 2016-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 210–460（251 aa）
Mutation：G213H, E214M, Q259A, R261G, D262S, R264S 6Y8 (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1uL of scLXRbeta-LBD/scRXRbeta-LBD @ 10 mg protein/ml in 20 mM Tris-HCl pH 8.0, 150 mM NaCl, 5 mM DTT containing 1mM ligand and less than 2%(v/v) DMSO was mixed with 1uL of reservoir solution (0.2M LiCl, 16-20%(w/v) PEG3350, 7-10%(v/v) ethylene glycol, 0.01M Strontium chloride) on a circular, silanized glass cover slide and inverted and sealed with silicon grease over a well of 200uL of reservoir solution. Crystallization plates were incubated at 23 deg C for 2-5 days before rods would appear measuring 50 to 100um long.
Resolution 2.80 Å R-free 0.253
6JIO Human LXR-beta in complex with a ligand Deposited 2019-02-22 Different construct Different mutation/modification 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 214–460（247 aa）
Chain C 214–460（247 aa）
Mutation：Q259A, R261G, D262S, R264S Mutation：Q259A, R261G, D262S, R264S BQ3 tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；281 K；22% PEG 3350, 0.1 M Tris HCl pH 8.5
Resolution 2.60 Å R-free 0.285
6JIO Human LXR-beta in complex with a ligand Deposited 2019-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 214–460（247 aa）
Chain D 214–460（247 aa）
Mutation：Q259A, R261G, D262S, R264S Mutation：Q259A, R261G, D262S, R264S BQ3 tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；281 K；22% PEG 3350, 0.1 M Tris HCl pH 8.5
Resolution 2.60 Å R-free 0.285
6K9G Human LXR-beta in complex with an agonist Deposited 2019-06-15 Different construct Different mutation/modification 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 214–460（247 aa）
Chain C 214–460（247 aa）
Mutation：Q259A, R261G, D262S, R264S Mutation：Q259A, R261G, D262S, R264S D3R ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；281 K；22% PEG 3350, 0.1M Tris HCl pH 8.5
Resolution 2.80 Å R-free 0.281
6K9G Human LXR-beta in complex with an agonist Deposited 2019-06-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 214–460（247 aa）
Chain D 214–460（247 aa）
Mutation：Q259A, R261G, D262S, R264S Mutation：Q259A, R261G, D262S, R264S D3R ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；281 K；22% PEG 3350, 0.1M Tris HCl pH 8.5
Resolution 2.80 Å R-free 0.281
6K9H Human LXR-beta in complex with an agonist Deposited 2019-06-15 Different construct Different mutation/modification 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 214–460（247 aa）
Chain B 214–460（247 aa）
Mutation：Q259A, R261G, D262S, R264S Mutation：Q259A, R261G, D262S, R264S D40 ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；22% PEG 3350, 0.1 M Tris HCl, pH 8.5
Resolution 2.50 Å R-free 0.287
6K9M Human LXR-beta in complex with an agonist Deposited 2019-06-16 Different construct Different mutation/modification 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 214–460（247 aa）
Chain C 214–460（247 aa）
Mutation：Q259A, R261G, D262S, R264S Mutation：Q259A, R261G, D262S, R264S D43 ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；22% PEG3350, 0.1 M Tris HCl, pH8.5
Resolution 2.90 Å R-free 0.280
6K9M Human LXR-beta in complex with an agonist Deposited 2019-06-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 214–460（247 aa）
Chain D 214–460（247 aa）
Mutation：Q259A, R261G, D262S, R264S Mutation：Q259A, R261G, D262S, R264S D43 ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-propan-2-yl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；22% PEG3350, 0.1 M Tris HCl, pH8.5
Resolution 2.90 Å R-free 0.280
6S4N LXRbeta ligand binding domain in comlpex with small molecule inhibitors Deposited 2019-06-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 216–460（245 aa）
Not recorded KUW 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M HEPES pH 7.5 and 18% PEG6000
Resolution 1.90 Å R-free 0.245
6S4N LXRbeta ligand binding domain in comlpex with small molecule inhibitors Deposited 2019-06-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 216–460（245 aa）
Not recorded KUW 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M HEPES pH 7.5 and 18% PEG6000
Resolution 1.90 Å R-free 0.245
6S4N LXRbeta ligand binding domain in comlpex with small molecule inhibitors Deposited 2019-06-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 216–460（245 aa）
Not recorded KUW 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M HEPES pH 7.5 and 18% PEG6000
Resolution 1.90 Å R-free 0.245
6S4N LXRbeta ligand binding domain in comlpex with small molecule inhibitors Deposited 2019-06-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 216–460（245 aa）
Not recorded KUW 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M HEPES pH 7.5 and 18% PEG6000
Resolution 1.90 Å R-free 0.245
6S4U LXRbeta ligand binding domain in comlpex with small molecule inhibitors Deposited 2019-06-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 216–460（245 aa）
Not recorded KVK 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；Unknown.
Resolution 2.81 Å R-free 0.280
6S4U LXRbeta ligand binding domain in comlpex with small molecule inhibitors Deposited 2019-06-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 216–460（245 aa）
Not recorded KVK 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；Unknown.
Resolution 2.81 Å R-free 0.280
6S4U LXRbeta ligand binding domain in comlpex with small molecule inhibitors Deposited 2019-06-28 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 216–460（245 aa）
Not recorded KVK 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；Unknown.
Resolution 2.81 Å R-free 0.280
6S5K LXRbeta ligand binding domain in complex with small molecule inhibitors Deposited 2019-07-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 216–460（245 aa）
Not recorded KWE 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；100 mM PIPES pH 7 and 17% PEG4000
Resolution 1.60 Å R-free 0.214

23 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NR1H2_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–245； UniProt 216–460

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 6s4t

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6s4t
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6s4t
Deposition date deposition_date2019-06-28
Structure title titleLXRbeta ligand binding domain in comlpex with small molecule inhibitors
Keywords keywordsliver X receptor beta LXRb LXR beta Nuclear hormone receptor receptor ligand binding domain, nuclear protein; NUCLEAR PROTEIN
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_guinier19.88 Å
Radius of gyration Rg (electron density) rg_electron18.46 Å
Forward intensity I(0) i013490200.00
Molecular weight molecular_weight28454.0 kDa
Excluded volume excluded_volume36035 ų
Envelope volume envelope_volume41846 ų
Hydration-shell volume shell_volume18977 ų
Envelope diameter envelope_diameter68.0 Å
Shell Rg shell_rg24.80 Å
Envelope Rg envelope_rg18.92 Å
Shape Rg shape_rg18.44 Å
Total Rg total_rg19.51 Å
Total atoms total_atoms2010
Residues n_residues238
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 dmax65.7 Å
Rg (real space) rg_real19.82 Å
Rg uncertainty (real space) rg_real_error0.48 Å
I(0) (real space) i0_real1.3490e+07
I(0) uncertainty (real space) i0_real_error1.7480e+05
Rg (reciprocal space) rg_reciprocal19.82 Å
I(0) (reciprocal space) i0_reciprocal13490000.0000
Solution quality estimate total_estimate0.6459
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary25.0 Å
Skewness Skewness skewness0.315
Kurtosis Kurtosis kurtosis-0.161
Angular range angular_range— – 0.4000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2966000.0000
Real-space data points n_real_points72
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.795; Stabil: 1.000; Sysdev: 0.338; Positv: 1.000; Valcen: 0.995; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd6s4ta_
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain

CATH v4.4 (1 domains)

Domain ID domain_id6s4tA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
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8. Citations (1)

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9. Files and Curves (10)