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TitleDevelopment of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 3813-3842, Year 2024
Publish dateDec 14, 2022 (structure data deposition date)
AuthorsRak, M. / Menge, A. / Tesch, R. / Berger, L.M. / Balourdas, D.I. / Shevchenko, E. / Kramer, A. / Elson, L. / Berger, B.T. / Abdi, I. ...Rak, M. / Menge, A. / Tesch, R. / Berger, L.M. / Balourdas, D.I. / Shevchenko, E. / Kramer, A. / Elson, L. / Berger, B.T. / Abdi, I. / Wahl, L.M. / Poso, A. / Kaiser, A. / Hanke, T. / Kronenberger, T. / Joerger, A.C. / Muller, S. / Knapp, S.
External linksJ. Med. Chem. / PubMed:38422480
MethodsX-ray diffraction
Resolution1.47 - 2.52 Å
Structure data

PDB-8bzj:
Human MST3 (STK24) kinase in complex with inhibitor MRLW5
Method: X-RAY DIFFRACTION / Resolution: 2.52 Å

PDB-8qlr:
Human MST3 (STK24) kinase in complex with inhibitor MR24
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-8qls:
Human MST3 (STK24) kinase in complex with inhibitor MR26
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-8qlt:
Human MST3 (STK24) kinase in complex with inhibitor MR30
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

Chemicals

ChemComp-SJX:
8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-VYN:
8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

ChemComp-VYH:
8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one

ChemComp-VZ2:
8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / selective kinase inhibitors / structure-based drug design / structure-guided drug design

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