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Structure paper

TitleDiscovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 2717-2743, Year 2023
Publish dateMar 15, 2022 (structure data deposition date)
AuthorsKaneshige, A. / Bai, L. / Wang, M. / McEachern, D. / Meagher, J.L. / Xu, R. / Kirchhoff, P.D. / Wen, B. / Sun, D. / Stuckey, J.A. / Wang, S.
External linksJ. Med. Chem. / PubMed:36735833
MethodsX-ray diffraction
Resolution2.352 - 3.102 Å
Structure data

PDB-7ubt:
Stat5a Core in complex with Compound 18
Method: X-RAY DIFFRACTION / Resolution: 2.352 Å

PDB-7uc6:
Stat5a Core in complex with Compound 12
Method: X-RAY DIFFRACTION / Resolution: 3.101 Å

PDB-7uc7:
Stat5a Core in complex with Compound 17
Method: X-RAY DIFFRACTION / Resolution: 3.102 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-MIW:
N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide

ChemComp-HOH:
WATER

ChemComp-MJ6:
N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide

ChemComp-MQX:
N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/INHIBITOR / STAT5a / ACTIVATOR / TRANSCRIPTION / TRANSCRIPTION-INHIBITOR COMPLEX

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