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TitleRational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 1567-1584, Year 2022
Publish dateSep 29, 2021 (structure data deposition date)
AuthorsHalland, N. / Schmidt, F. / Weiss, T. / Li, Z. / Czech, J. / Saas, J. / Ding-Pfennigdorff, D. / Dreyer, M.K. / Strubing, C. / Nazare, M.
External linksJ. Med. Chem. / PubMed:34931844
MethodsX-ray diffraction
Resolution2.506 Å
Structure data

PDB-7pue:
Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3a
Method: X-RAY DIFFRACTION / Resolution: 2.506 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-86H:
6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / serine/threonine protein kinase / atp-competitive inhibitor / DFG-loop / hinge-binder / osteoarthritis / cartilage degradation / pyrazolo-pyridine

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