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Structure paper

TitleIdentification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 1385-1406, Year 2019
Publish dateApr 27, 2018 (structure data deposition date)
AuthorsGranberg, K.L. / Yuan, Z.Q. / Lindmark, B. / Edman, K. / Kajanus, J. / Hogner, A. / Malmgren, M. / O'Mahony, G. / Nordqvist, A. / Lindberg, J. ...Granberg, K.L. / Yuan, Z.Q. / Lindmark, B. / Edman, K. / Kajanus, J. / Hogner, A. / Malmgren, M. / O'Mahony, G. / Nordqvist, A. / Lindberg, J. / Tangefjord, S. / Kossenjans, M. / Lofberg, C. / Branalt, J. / Liu, D. / Selmi, N. / Nikitidis, G. / Nordberg, P. / Hayen, A. / Aagaard, A. / Hansson, E. / Hermansson, M. / Ivarsson, I. / Jansson-Lofmark, R. / Karlsson, U. / Johansson, U. / William-Olsson, L. / Hartleib-Geschwindner, J. / Bamberg, K.
External linksJ. Med. Chem. / PubMed:30596500
MethodsX-ray diffraction
Resolution1.54 - 1.8 Å
Structure data

PDB-6gev:
Mineralocorticoid receptor in complex with (s)-13
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-6gg8:
Mineralocorticoid receptor in complex with (s)-13
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6ggg:
Mineralocorticoid receptor in complex with (s)-13
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-EWN:
6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one

ChemComp-HOH:
WATER

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-EY8:
[(3~{R})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]methanesulfonamide

ChemComp-CL:
Unknown entry

ChemComp-EYN:
2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Mineralocorticoid receptor / nuclear hormone receptor / steroid receptor / ligand complex / peptide complex / signaling protein

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