UniProt Q9Y618
Nuclear receptor corepressor 2 (Q9Y618)
Nuclear receptor corepressor 2 (UniProt Q9Y618): 41 experimental structures and 1 predicted model on GenesisL1, 9 ligands bound, 36 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q9Y618
- Protein
- Nuclear receptor corepressor 2
- Experimental structures
- 41
- Predicted models
- 1
- Ligands
- 9
- Pockets
- 36 · 13 records with a druggable one
Structures
42 records of Q9Y618 in the MolNFT archive: 41 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1KKQ | Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist… | x-ray diffraction | E, F, G, H | — | — |
| 1KKQ | Crystal structure of the human ppar-alpha ligand-binding domain in complex with an antagonist… | x-ray diffraction | E, F, G, H | — | — |
| 1R2B | Crystal structure of the BCL6 BTB domain complexed with a SMRT co-repressor peptide | x-ray diffraction | C, D | — | — |
| 1R2B | Crystal structure of the BCL6 btb domain complexed with a smrt co- repressor peptide | x-ray diffraction | C, D | — | — |
| 1XC5 | Solution Structure of the SMRT Deacetylase Activation Domain | solution nmr | A | — | — |
| 1XC5 | Solution structure of the smrt deacetylase activation domain | solution nmr | A | — | — |
| 2GPV | Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT… | x-ray diffraction | G, H, I | — | — |
| 2GPV | Estrogen related receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a smrt… | x-ray diffraction | G, H, I | — | — |
| 2LTP | Solution structure of the SANT2 domain of the human nuclear receptor corepressor 2 (NCoR2)… | solution nmr | A | — | — |
| 2LTP | Solution structure of the SANT2 domain of the human nuclear receptor corepressor 2 (NCOR2)… | solution nmr | A | — | — |
| 2RT5 | Structural insights into the recruitment of SMRT by the co-repressor SHARP under phosphorylative… | solution nmr | B | — | — |
| 2RT5 | Structural insights into the recruitment of smrt by the co-repressor sharp under phosphorylative… | solution nmr | B | — | — |
| 3R29 | Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 | x-ray diffraction | C, D | — | — |
| 3R29 | Crystal structure of rxralpha ligand-binding domain complexed with corepressor SMRT2 | x-ray diffraction | C, D | — | — |
| 3R2A | Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist… | x-ray diffraction | E, F | — | — |
| 3R2A | Crystal structure of rxralpha ligand-binding domain complexed with corepressor SMRT2 and antagonist… | x-ray diffraction | E, F | — | — |
| 4A69 | Structure of HDAC3 bound to corepressor and inositol tetraphosphate | x-ray diffraction | C, D | — | — |
| 4A69 | Structure of HDAC3 bound to corepressor and inositol tetraphosphate | x-ray diffraction | C, D | — | — |
| 4OAR | Progesterone receptor with bound ulipristal acetate and a peptide from the co-repressor SMRT | x-ray diffraction | B | — | — |
| 4OAR | Progesterone receptor with bound ulipristal acetate and a peptide from the co-repressor smrt | x-ray diffraction | B | — | — |
| 5X8Q | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. | x-ray diffraction | B, D, F, H | — | 5 (best 0.79) |
| 5X8Q | Crystal structure of the mutant human ror gamma ligand binding domain with rockogenin. | x-ray diffraction | B, D, F, H | — | — |
| 5X8X | Crystal structure of the mutant human ror gamma ligand binding domain with compound a. | x-ray diffraction | B, D, F, H | — | — |
| 6A22 | Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T. | x-ray diffraction | B, D, F, H | — | — |
| 6A22 | Ternary complex of human ror gamma ligand binding domain with compound T. | x-ray diffraction | B, D, F, H | — | — |
| 6IVX | Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold. | x-ray diffraction | B, D, F, H | — | — |
| 6IVX | Discovery of the second generation ror gamma inhibitors composed of an azole scaffold. | x-ray diffraction | B, D, F, H | — | — |
| 6PDZ | Crystal structure of ppargamma ligand binding domain in complex with smrt peptide and inverse… | x-ray diffraction | C, D | — | — |
| 7SQA | PPAR gamma LBD bound to SR10221 and SMRT corepressor motif | x-ray diffraction | C, D | A8R | 2 (best 0.80) |
| 8AQM | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) | x-ray diffraction | C, D | O2O | 2 (best 0.72) |
| 8AQN | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | x-ray diffraction | C, D | O0U, CA | 2 (best 0.67) |
| 8B8W | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a) | x-ray diffraction | C, D | Q2X | 1 (best 0.81) |
| 8B8X | Crystal structure of PPARG and NCOR2 with SR10221, an inverse agonist | x-ray diffraction | C, D | A8R | 2 (best 0.83) |
| 8B8Y | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) | x-ray diffraction | C, D | Q33 | 2 (best 0.80) |
| 8B8Z | Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound 7e) | x-ray diffraction | C, D | — | 2 (best 0.81) |
| 8B90 | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d) | x-ray diffraction | C, D | — | 2 (best 0.77) |
| 8B91 | Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1) | x-ray diffraction | C, D | — | 3 (best 0.77) |
| 8B92 | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound SI-2) | x-ray diffraction | C, D | Q5X | 2 (best 0.83) |
| 8B93 | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 15b) | x-ray diffraction | C, D | Q8F | — |
| 8B94 | Crystal structure of PPARG and NCOR2 with BAY-5516, an inverse agonist | x-ray diffraction | C, D | Q5O | 2 (best 0.81) |
| 8X7E | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With JTE-151 | x-ray diffraction | B, D, F, H | — | 4 (best 0.44) |
| Q9Y618 | AlphaFold monomer V2.0 prediction for nuclear receptor corepressor 2 (Q9Y618) | predicted | A | — | 5 (best 0.52) |
Ligands
- A8R · (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid · in 2 records
- CA · Calcium ion · in 1 record
- O0U · 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide · in 1 record
- O2O · 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide · in 1 record
- Q2X · 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide · in 1 record
- Q33 · 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide · in 1 record
- Q5O · ~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide · in 1 record
- Q5X · 4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide · in 1 record
- 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 · in 1 record
Experiment against prediction
- 8B8Y chain D against the predicted model Q9Y618: TM-score 0.92, RMSD 0.15 Å
- 8AQN chain D against the predicted model Q9Y618: TM-score 0.91, RMSD 0.16 Å
- 8B8X chain D against the predicted model Q9Y618: TM-score 0.91, RMSD 0.16 Å
- 6PDZ chain D against the predicted model Q9Y618: TM-score 0.90, RMSD 0.17 Å
- 8B91 chain D against the predicted model Q9Y618: TM-score 0.90, RMSD 0.17 Å
- 8B94 chain C against the predicted model Q9Y618: TM-score 0.89, RMSD 0.18 Å
- 8B8Z chain C against the predicted model Q9Y618: TM-score 0.89, RMSD 0.18 Å
- 8B8Z chain D against the predicted model Q9Y618: TM-score 0.88, RMSD 0.19 Å
- 8B8X chain C against the predicted model Q9Y618: TM-score 0.88, RMSD 0.19 Å
- 4OAR chain B against the predicted model Q9Y618: TM-score 0.87, RMSD 0.22 Å
Elsewhere
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