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Structure paper

TitleStructure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
Journal, issue, pagesChemMedChem, Vol. 12, Page 50-65, Year 2017
Publish dateJun 3, 2016 (structure data deposition date)
AuthorsNordqvist, A. / O'Mahony, G. / Friden-Saxin, M. / Fredenwall, M. / Hogner, A. / Granberg, K.L. / Aagaard, A. / Backstrom, S. / Gunnarsson, A. / Kaminski, T. ...Nordqvist, A. / O'Mahony, G. / Friden-Saxin, M. / Fredenwall, M. / Hogner, A. / Granberg, K.L. / Aagaard, A. / Backstrom, S. / Gunnarsson, A. / Kaminski, T. / Xue, Y. / Dellsen, A. / Hansson, E. / Hansson, P. / Ivarsson, I. / Karlsson, U. / Bamberg, K. / Hermansson, M. / Georgsson, J. / Lindmark, B. / Edman, K.
External linksChemMedChem / PubMed:27897427
MethodsX-ray diffraction
Resolution1.84 - 2.01 Å
Structure data

PDB-5l7e:
MCR IN COMPLEX WITH ligand
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-5l7g:
MCR IN COMPLEX WITH ligand
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-5l7h:
MCR IN COMPLEX WITH ligand
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-NHE:
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID / pH buffer*YM

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

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-6Q0:
~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide

ChemComp-HOH:
WATER

ChemComp-6QE:
~{N}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide

ChemComp-6QG:
3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / MINERALOCORTICOID RECEPTOR 2

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