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Structure paper

TitleDiscovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 1785-1799, Year 2018
Publish dateSep 28, 2017 (structure data deposition date)
AuthorsRipa, L. / Edman, K. / Dearman, M. / Edenro, G. / Hendrickx, R. / Ullah, V. / Chang, H.F. / Lepisto, M. / Chapman, D. / Geschwindner, S. ...Ripa, L. / Edman, K. / Dearman, M. / Edenro, G. / Hendrickx, R. / Ullah, V. / Chang, H.F. / Lepisto, M. / Chapman, D. / Geschwindner, S. / Wissler, L. / Svanberg, P. / Lawitz, K. / Malmberg, J. / Nikitidis, A. / Olsson, R.I. / Bird, J. / Llinas, A. / Hegelund-Myrback, T. / Berger, M. / Thorne, P. / Harrison, R. / Kohler, C. / Drmota, T.
External linksJ. Med. Chem. / PubMed:29424542
MethodsX-ray diffraction
Resolution2.18 - 2.4 Å
Structure data

PDB-6el6:
Glucocorticoid Receptor in complex with compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-6el7:
Glucocorticoid Receptor in complex with compound 31
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-6el9:
Glucocorticoid Receptor in complex with AZD9567
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-B9Q:
~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide

ChemComp-HOH:
WATER

ChemComp-B9T:
~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide

ChemComp-B9W:
2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Glucocorticoid receptor / nuclear hormone receptor / steroid receptor / ligand complex / peptide complex

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