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Structure paper

TitleA surface on the androgen receptor that allosterically regulates coactivator binding.
Journal, issue, pagesProc. Natl. Acad. Sci. Usa, Vol. 104, Page 16074-16079, Year 2007
Publish dateApr 13, 2007 (structure data deposition date)
AuthorsEstebanez-Perpina, E. / Arnold, L.A. / Arnold, A.A. / Nguyen, P. / Rodrigues, E.D. / Mar, E. / Bateman, R. / Pallai, P. / Shokat, K.M. / Baxter, J.D. ...Estebanez-Perpina, E. / Arnold, L.A. / Arnold, A.A. / Nguyen, P. / Rodrigues, E.D. / Mar, E. / Bateman, R. / Pallai, P. / Shokat, K.M. / Baxter, J.D. / Guy, R.K. / Webb, P. / Fletterick, R.J.
External linksProc. Natl. Acad. Sci. Usa / PubMed:17911242
MethodsX-ray diffraction
Resolution1.76 - 2.58 Å
Structure data

PDB-2pio:
Androgen receptor LBD with small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-2pip:
Androgen receptor LBD with small molecule
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2piq:
androgen receptor LBD with small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-2pir:
Androgen receptor LBD with small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2pit:
Androgen receptor LBD with small molecule
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-2piu:
Androgen receptor LBD with small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-2piv:
Androgen receptor with small molecule
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2piw:
Androgen receptor with small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

PDB-2pix:
AR LBD with small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-2pkl:
Androgen receptor LBD with small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-2qpy:
AR LBD with small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-DHT:
5-ALPHA-DIHYDROTESTOSTERONE / hormone*YM

ChemComp-2MI:
2-METHYL-1H-INDOLE

ChemComp-HOH:
WATER

ChemComp-ICO:
1H-INDOLE-3-CARBOXYLIC ACID

ChemComp-K10:
1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE

ChemComp-RB1:
3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL

ChemComp-NK:
SALICYLALDEHYDE

ChemComp-4HY:
[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID / hormone*YM

ChemComp-T3:
3,5,3'TRIIODOTHYRONINE / hormone*YM

ChemComp-FLF:
2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID / antiinflammatory, inhibitor*YM

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
  • synthetic construct (others)
KeywordsHORMONE RECEPTOR / androgen receptor ligand binding domain / inhibitors coactivator binding AF-2 pocket / androgen receptor / coactivators / AF-2 pocket / inhibitors / inhibitors coactivator binding AF-2 / androgen receptor coactivator binding inhibitors AF-2 pocket / androgen receptor coactivator binding inhibitors AF-2 / androgen receptor inhibitors coactivator binding AF-2 / androgen receptor inhibitor coactivator binding / androgen receptor inhibitors coactivator binding / AR LBD ihnibitors coactivator binding / androgen receptor coactivators AF2 inhibitors / DNA BINDING PROTEIN / androgen receptor DHT coactivator / DNA-binding / Lipid-binding / Metal-binding / Nucleus / Steroid-binding / Transcription / Transcription regulation / Ubl conjugation / Zinc / Zinc-finger

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