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TitleSelective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 8591-8605, Year 2017
Publish dateMar 15, 2017 (structure data deposition date)
AuthorsHemmerling, M. / Nilsson, S. / Edman, K. / Eirefelt, S. / Russell, W. / Hendrickx, R. / Johnsson, E. / Karrman Mardh, C. / Berger, M. / Rehwinkel, H. ...Hemmerling, M. / Nilsson, S. / Edman, K. / Eirefelt, S. / Russell, W. / Hendrickx, R. / Johnsson, E. / Karrman Mardh, C. / Berger, M. / Rehwinkel, H. / Abrahamsson, A. / Dahmen, J. / Eriksson, A.R. / Gabos, B. / Henriksson, K. / Hossain, N. / Ivanova, S. / Jansson, A.H. / Jensen, T.J. / Jerre, A. / Johansson, H. / Klingstedt, T. / Lepisto, M. / Lindsjo, M. / Mile, I. / Nikitidis, G. / Steele, J. / Tehler, U. / Wissler, L. / Hansson, T.
External linksJ. Med. Chem. / PubMed:28937774
MethodsX-ray diffraction
Resolution2.1 - 2.3 Å
Structure data

PDB-5nfp:
Glucocorticoid Receptor in complex with budesonide
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5nft:
Glucocorticoid Receptor in complex with AZD5423
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-CPS:
3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE / detergent*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-8W5:
(1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one

ChemComp-HOH:
WATER

ChemComp-8W8:
2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide

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

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