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2ltp

Solution structure of the SANT2 domain of the human nuclear receptor corepressor 2 (NCoR2), Northeast Structural Genomics Consortium (NESG) target ID HR4636E

Method: SOLUTION NMR Dmax: 40.8 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Nuclear receptor corepressor 2

Homo sapiens

UniProt Q9Y618

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 615–685 Fragment：SANT 2 domain residues 615-685 No other associated polymer SOLUTION NMR NMR measurement conditions：pH 6.5；298 K；Ionic strength (raw mmCIF value) 200；Pressure ambient NMR sample composition：1 mM [U-13C; U-15N] protein 1, 25 mM sodium phosphate, 200 mM NaCl, 0.01 mM ZnSO4, 10 mM DTT, 1 mM benzamidine, 0.01 % NaN3, 95 % H2O, 5 % D2O, 95% H2O/5% D2O | 95% H2O/5% D2O Resolution not provided

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 2LTP Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1KKQ Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif Deposited 2001-12-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 2339–2357（19 aa） Fragment：SMRT receptor interacting motif
Not recorded 471 N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG35K, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.290
1KKQ Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif Deposited 2001-12-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2339–2357（19 aa） Fragment：SMRT receptor interacting motif
Not recorded 471 N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG35K, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.290
1KKQ Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif Deposited 2001-12-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 2339–2357（19 aa） Fragment：SMRT receptor interacting motif
Not recorded 471 N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG35K, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.290
1KKQ Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif Deposited 2001-12-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 2339–2357（19 aa） Fragment：SMRT receptor interacting motif
Not recorded 471 N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；PEG35K, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.290
1R2B Crystal structure of the BCL6 BTB domain complexed with a SMRT co-repressor peptide Deposited 2003-09-26 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1414–1430（17 aa） Fragment：SMRT - BBD (residues 1414-1430)
Chain D 1414–1430（17 aa） Fragment：SMRT - BBD (residues 1414-1430)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3350, sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.267
1XC5 Solution Structure of the SMRT Deacetylase Activation Domain Deposited 2004-09-01 Different construct Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 412–480（69 aa） Fragment：Deacetylase Activation Domain (residues 410-480)
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；290 K；Ionic strength (raw mmCIF value) 0.35 M；Pressure ambient
NMR sample composition 1-2mM DAD, 50mM NaCl, 50mM phosphate buffer NA | 93% H2O/7% D2O
NMR sample composition 1-2mM DAD, 50mM NaCl, 50mM phosphate buffer NA | 100% D2O
NMR sample composition 1-2mM DAD U-15N, 50mM NaCl, 50mM phosphate buffer NA | 93% H2O/7% D2O
Resolution not provided
2GPV Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide Deposited 2006-04-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain G 2338–2359（22 aa） Fragment：LXXLL Motif (residues 2338-2359)
Chain H 2338–2359（22 aa） Fragment：LXXLL Motif (residues 2338-2359)
Not recorded OHT 4-HYDROXYTAMOXIFEN × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；7% PEG3350 0.2M Lithium Acetate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.85 Å R-free 0.279
2GPV Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide Deposited 2006-04-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain I 2338–2359（22 aa） Fragment：LXXLL Motif (residues 2338-2359)
Not recorded OHT 4-HYDROXYTAMOXIFEN × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；7% PEG3350 0.2M Lithium Acetate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.85 Å R-free 0.279
2RT5 Structural insights into the recruitment of SMRT by the co-repressor SHARP under phosphorylative regulation Deposited 2013-04-22 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2518–2525（8 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.5；303 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition 93% H2O/7% D2O
Resolution not provided
3R29 Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 Deposited 2011-03-14 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain C 2346–2361（16 aa） Fragment：UNP residues 2346-2361
Chain D 2346–2361（16 aa） Fragment：UNP residues 2346-2361
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；100 mM sodium cacodylate, 15% PEG4000, 100 mM magnesium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.90 Å R-free 0.326
3R2A Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist rhein Deposited 2011-03-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain E 2346–2361（16 aa） Fragment：UNP residues 2346-2361
Chain F 2346–2361（16 aa） Fragment：UNP residues 2346-2361
Not recorded RHN 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；100 mM sodium cacodylate, 20% PEG4000, 100 mM magnesium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.00 Å R-free 0.335
4A69 Structure of HDAC3 bound to corepressor and inositol tetraphosphate Deposited 2011-11-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 389–480（92 aa） Fragment：RESIDUES 389-480
Not recorded ZN ZINC ION × 1 ACT ACETATE ION × 1 K POTASSIUM ION × 2 GOL GLYCEROL × 2 I0P D-MYO INOSITOL 1,4,5,6 TETRAKISPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1 M HEPES PH 7.5 0.2 M NACL 10 % V/V PROPAN-2-OL
Resolution 2.06 Å R-free 0.236
4A69 Structure of HDAC3 bound to corepressor and inositol tetraphosphate Deposited 2011-11-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 389–480（92 aa） Fragment：RESIDUES 389-480
Not recorded ZN ZINC ION × 1 ACT ACETATE ION × 1 K POTASSIUM ION × 2 GOL GLYCEROL × 2 I0P D-MYO INOSITOL 1,4,5,6 TETRAKISPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1 M HEPES PH 7.5 0.2 M NACL 10 % V/V PROPAN-2-OL
Resolution 2.06 Å R-free 0.236
4OAR Progesterone receptor with bound ulipristal acetate and a peptide from the co-repressor SMRT Deposited 2014-01-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2346–2362（17 aa） Fragment：UNP RESIDUES 2346-2362
Not recorded 2S0 [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, Tris,HCl 50mM, NaCl 400mM, 10% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.41 Å R-free 0.234
5X8Q Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. Deposited 2017-03-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 82R (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；299 K；0.1M MES pH6.0, 10% PEG6000, Sitting DROP, temperature 299K
Resolution 2.20 Å R-free 0.241
5X8Q Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. Deposited 2017-03-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 82R (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；299 K；0.1M MES pH6.0, 10% PEG6000, Sitting DROP, temperature 299K
Resolution 2.20 Å R-free 0.241
5X8Q Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. Deposited 2017-03-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 82R (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；299 K；0.1M MES pH6.0, 10% PEG6000, Sitting DROP, temperature 299K
Resolution 2.20 Å R-free 0.241
5X8Q Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. Deposited 2017-03-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 82R (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；299 K；0.1M MES pH6.0, 10% PEG6000, Sitting DROP, temperature 299K
Resolution 2.20 Å R-free 0.241
5X8X Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A. Deposited 2017-03-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 82O (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；299 K；0.1M Hepes pH6.9, 12% PEG6000
Resolution 2.60 Å R-free 0.233
5X8X Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A. Deposited 2017-03-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 82O (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；299 K；0.1M Hepes pH6.9, 12% PEG6000
Resolution 2.60 Å R-free 0.233
5X8X Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A. Deposited 2017-03-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 82O (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；299 K；0.1M Hepes pH6.9, 12% PEG6000
Resolution 2.60 Å R-free 0.233
5X8X Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With Compound A. Deposited 2017-03-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 82O (3R,4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)-1-ethanoyl-pyrrolidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；299 K；0.1M Hepes pH6.9, 12% PEG6000
Resolution 2.60 Å R-free 0.233
6A22 Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T. Deposited 2018-06-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 9P6 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；299 K；0.1M Hepes pH6.9, 12% PEG6000
Resolution 2.55 Å R-free 0.243
6A22 Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T. Deposited 2018-06-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 9P6 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；299 K；0.1M Hepes pH6.9, 12% PEG6000
Resolution 2.55 Å R-free 0.243
6A22 Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T. Deposited 2018-06-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 9P6 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；299 K；0.1M Hepes pH6.9, 12% PEG6000
Resolution 2.55 Å R-free 0.243
6A22 Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T. Deposited 2018-06-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded 9P6 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；299 K；0.1M Hepes pH6.9, 12% PEG6000
Resolution 2.55 Å R-free 0.243
6IVX Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. Deposited 2018-12-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2335–2356（22 aa）
Not recorded AYO (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；299 K；0.1M MES pH6.0, 10% PEG6000
Resolution 2.35 Å R-free 0.198
6IVX Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. Deposited 2018-12-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2335–2356（22 aa）
Not recorded AYO (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；299 K；0.1M MES pH6.0, 10% PEG6000
Resolution 2.35 Å R-free 0.198
6IVX Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. Deposited 2018-12-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2335–2356（22 aa）
Not recorded AYO (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；299 K；0.1M MES pH6.0, 10% PEG6000
Resolution 2.35 Å R-free 0.198
6IVX Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. Deposited 2018-12-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 2335–2356（22 aa）
Not recorded AYO (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；299 K；0.1M MES pH6.0, 10% PEG6000
Resolution 2.35 Å R-free 0.198
6PDZ Crystal structure of PPARgamma ligand binding domain in complex with SMRT peptide and inverse agonist T0070907 Deposited 2019-06-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 2318–2339（22 aa）
Chain D 2318–2339（22 aa）
Not recorded EEY 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Ammonium sulfate 0.1M MES, pH 6.5 30% w/v PEG8000
Resolution 2.10 Å R-free 0.241
7SQA PPAR gamma LBD bound to SR10221 and SMRT corepressor motif Deposited 2021-11-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2335–2356（22 aa）
Not recorded A8R (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；28% PEG 8,000, 0.1M Ammonium sulphate, 0.1M MES pH 6.5
Resolution 2.50 Å R-free 0.285
7SQA PPAR gamma LBD bound to SR10221 and SMRT corepressor motif Deposited 2021-11-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2335–2356（22 aa）
Not recorded A8R (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；28% PEG 8,000, 0.1M Ammonium sulphate, 0.1M MES pH 6.5
Resolution 2.50 Å R-free 0.285
8AQM Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) Deposited 2022-08-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded O2O 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M MES pH 6, 0.2M NH4Cl, 20% PEG6000
Resolution 2.30 Å R-free 0.251
8AQM Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) Deposited 2022-08-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded O2O 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M MES pH 6, 0.2M NH4Cl, 20% PEG6000
Resolution 2.30 Å R-free 0.251
8AQN Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) Deposited 2022-08-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded O0U 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide × 1 GOL GLYCEROL × 2 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MES pH 6.0, 0.2 M Ca acetate, 20% PEG8000
Resolution 1.90 Å R-free 0.218
8AQN Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) Deposited 2022-08-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded O0U 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M MES pH 6.0, 0.2 M Ca acetate, 20% PEG8000
Resolution 1.90 Å R-free 0.218
8B8W Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded Q2X 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 4000 24%, NaCl 0.2 M, Hepes 0.1 M (pH 7.5)
Resolution 1.86 Å R-free 0.275
8B8W Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded Q2X 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 4000 24%, NaCl 0.2 M, Hepes 0.1 M (pH 7.5)
Resolution 1.86 Å R-free 0.275
8B8X Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded A8R (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, K/Na tartrate 0.2 M
Resolution 1.78 Å R-free 0.216
8B8X Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded A8R (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, K/Na tartrate 0.2 M
Resolution 1.78 Å R-free 0.216
8B8Y Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded Q33 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, HCOOMg 0.2 M
Resolution 2.00 Å R-free 0.242
8B8Y Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded Q33 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, HCOOMg 0.2 M
Resolution 2.00 Å R-free 0.242
8B8Z Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound 7e) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded Q33 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, HCOONa 0.2 M
Resolution 2.22 Å R-free 0.248
8B8Z Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound 7e) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded Q33 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, HCOONa 0.2 M
Resolution 2.22 Å R-free 0.248
8B90 Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded Q1R 5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, LiNO3 0.2 M
Resolution 2.10 Å R-free 0.274
8B90 Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d) Deposited 2022-10-05 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, LiNO3 0.2 M
Resolution 2.10 Å R-free 0.274
8B91 Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded Q4O ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, NaAc 0.2 M
Resolution 2.23 Å R-free 0.228
8B91 Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1) Deposited 2022-10-05 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, NaAc 0.2 M
Resolution 2.23 Å R-free 0.228
8B92 Crystal structure of PPARG and NCOR2 with an inverse agonist (compound SI-2) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded Q5X 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 6000 25%, TRIS 0.1 M (pH 8.0), ZnCl 0.01 M
Resolution 1.66 Å R-free 0.227
8B92 Crystal structure of PPARG and NCOR2 with an inverse agonist (compound SI-2) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded Q5X 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 6000 25%, TRIS 0.1 M (pH 8.0), ZnCl 0.01 M
Resolution 1.66 Å R-free 0.227
8B93 Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded Q8F 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, HCOONa 0.2 M
Resolution 2.21 Å R-free 0.386
8B93 Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b) Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded Q8F 4-chloranyl-6-fluoranyl-~{N}1-[[4-fluoranyl-2-(2-methoxyethoxymethyl)phenyl]methyl]-~{N}3-[2-methyl-4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, HCOONa 0.2 M
Resolution 2.21 Å R-free 0.386
8B94 Crystal structure of PPARG and NCOR2 with BAY-5516, an inverse agonist Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded Q5O ~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, HCOOK 0.2 M
Resolution 1.55 Å R-free 0.240
8B94 Crystal structure of PPARG and NCOR2 with BAY-5516, an inverse agonist Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded Q5O ~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, HCOOK 0.2 M
Resolution 1.55 Å R-free 0.240
8B95 Crystal structure of PPARG and NCOR2 with BAY-9683, an inverse agonist Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2332–2354（23 aa）
Not recorded Q4C ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, BT Prop 0.1 M (pH 7.5), NaAc 0.2 M
Resolution 1.72 Å R-free 0.238
8B95 Crystal structure of PPARG and NCOR2 with BAY-9683, an inverse agonist Deposited 2022-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2332–2354（23 aa）
Not recorded Q4C ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；PEG 3350 20%, BT Prop 0.1 M (pH 7.5), NaAc 0.2 M
Resolution 1.72 Å R-free 0.238
8X7E Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With JTE-151 Deposited 2023-11-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded YAL (4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1M MES pH 6.5, 13.6% PEG6000
Resolution 2.30 Å R-free 0.263
8X7E Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With JTE-151 Deposited 2023-11-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded YAL (4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1M MES pH 6.5, 13.6% PEG6000
Resolution 2.30 Å R-free 0.263
8X7E Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With JTE-151 Deposited 2023-11-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded YAL (4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1M MES pH 6.5, 13.6% PEG6000
Resolution 2.30 Å R-free 0.263
8X7E Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With JTE-151 Deposited 2023-11-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded YAL (4~{S})-6-[(2-chloranyl-4-methyl-phenyl)amino]-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-6-oxidanylidene-hexanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1M MES pH 6.5, 13.6% PEG6000
Resolution 2.30 Å R-free 0.263
9IWJ X-ray structure of human PPARalpha ligand binding domain-NCoR2 corepressor peptide co-crystals obtained by co-crystallization Deposited 2024-07-25 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1M HEPES (pH 7.0), 14% PEG 8000, 0.2M magnesium chloride
Resolution 2.48 Å R-free 0.254
9IWJ X-ray structure of human PPARalpha ligand binding domain-NCoR2 corepressor peptide co-crystals obtained by co-crystallization Deposited 2024-07-25 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1M HEPES (pH 7.0), 14% PEG 8000, 0.2M magnesium chloride
Resolution 2.48 Å R-free 0.254
9IWJ X-ray structure of human PPARalpha ligand binding domain-NCoR2 corepressor peptide co-crystals obtained by co-crystallization Deposited 2024-07-25 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1M HEPES (pH 7.0), 14% PEG 8000, 0.2M magnesium chloride
Resolution 2.48 Å R-free 0.254
9IWJ X-ray structure of human PPARalpha ligand binding domain-NCoR2 corepressor peptide co-crystals obtained by co-crystallization Deposited 2024-07-25 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1M HEPES (pH 7.0), 14% PEG 8000, 0.2M magnesium chloride
Resolution 2.48 Å R-free 0.254
9IWK X-ray structure of human PPARgamma ligand binding domain-NCoR2 corepressor peptide co-crystals obtained by co-crystallization Deposited 2024-07-25 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1M Tris (pH 8.5), 30% PEG 8000, 0.2M ammonium sulfate
Resolution 2.43 Å R-free 0.266
9IWK X-ray structure of human PPARgamma ligand binding domain-NCoR2 corepressor peptide co-crystals obtained by co-crystallization Deposited 2024-07-25 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1M Tris (pH 8.5), 30% PEG 8000, 0.2M ammonium sulfate
Resolution 2.43 Å R-free 0.266
9XMJ A Potent and Selective ROR gamma Inhibitor for the Treatment of Autoimmune Diseases Deposited 2025-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded A1MCM (4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；295 K；80mM MES buffer (pH 6.2) in the presence of 9% PEG6,000.
Resolution 2.18 Å R-free 0.218
9XMJ A Potent and Selective ROR gamma Inhibitor for the Treatment of Autoimmune Diseases Deposited 2025-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded A1MCM (4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；295 K；80mM MES buffer (pH 6.2) in the presence of 9% PEG6,000.
Resolution 2.18 Å R-free 0.218
9XMJ A Potent and Selective ROR gamma Inhibitor for the Treatment of Autoimmune Diseases Deposited 2025-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded A1MCM (4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；295 K；80mM MES buffer (pH 6.2) in the presence of 9% PEG6,000.
Resolution 2.18 Å R-free 0.218
9XMJ A Potent and Selective ROR gamma Inhibitor for the Treatment of Autoimmune Diseases Deposited 2025-11-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 2346–2367（22 aa） Fragment：UNP residues 2346-2367
Not recorded A1MCM (4~{S})-4-[3-chloranyl-4-(2,2-dimethylpropoxy)phenyl]-~{N},~{N},6-trimethyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；295 K；80mM MES buffer (pH 6.2) in the presence of 9% PEG6,000.
Resolution 2.18 Å R-free 0.218

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View Construct and Data Evidence
UniProt name NCOR2_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 19–89； UniProt 615–685

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 2ltp

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2ltp
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2ltp
Deposition date deposition_date2012-05-30
Structure title titleSolution structure of the SANT2 domain of the human nuclear receptor corepressor 2 (NCoR2), Northeast Structural Genomics Consortium (NESG) target ID HR4636E
Keywords keywords;SMRT, TRAC, SGC, Structural Genomics Consortium, NESG, Northeast Structural Genomics Consortium, Transcription regulator, PSI-Biology ;; Transcription regulator
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier14.97 Å
Radius of gyration Rg (electron density) rg_electron15.29 Å
Forward intensity I(0) i0432086000.00
Molecular weight molecular_weight171320.0 kDa
Excluded volume excluded_volume213560 ų
Envelope volume envelope_volume25723 ų
Hydration-shell volume shell_volume12926 ų
Envelope diameter envelope_diameter64.7 Å
Shell Rg shell_rg23.56 Å
Envelope Rg envelope_rg19.87 Å
Shape Rg shape_rg15.21 Å
Total Rg total_rg15.71 Å
Total atoms total_atoms24440
Residues n_residues1420
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 dmax40.8 Å
Rg (real space) rg_real14.05 Å
Rg uncertainty (real space) rg_real_error0.09 Å
I(0) (real space) i0_real4.1350e+08
I(0) uncertainty (real space) i0_real_error3.6740e+06
Rg (reciprocal space) rg_reciprocal15.22 Å
I(0) (reciprocal space) i0_reciprocal432100000.0000
Solution quality estimate total_estimate0.6765
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary15.5 Å
Skewness Skewness skewness0.412
Kurtosis Kurtosis kurtosis-0.387
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha3.1690
Highest regularization parameter α highest_alpha74110.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.002; Oscil: 0.958; Stabil: 0.988; Sysdev: 0.000; Positv: 1.000; Valcen: 0.966; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd2ltpa_
Class classa — All alpha proteins
Fold Fold folda.4 — DNA/RNA-binding 3-helical bundle
Superfamily Superfamily superfamilya.4.1 — Homeodomain-like
Family Family familya.4.1.0 — automated matches

CATH v4.4 (1 domains)

Domain ID domain_id2ltpA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily60 — Homeodomain-like
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8. Citations (1)

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9. Files and Curves (10)