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Structure paper

TitleDiscovery of ATX968: An Orally Available Allosteric Inhibitor of DHX9.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 9537-9554, Year 2025
Publish dateDec 10, 2024 (structure data deposition date)
AuthorsDaniels, M.H. / Castro, J. / Lee, Y.T. / Gotur, D. / Knockenhauer, K.E. / Grigoriu, S. / Lockbaum, G.J. / Cheong, J.E. / Lu, C. / Brennan, D. ...Daniels, M.H. / Castro, J. / Lee, Y.T. / Gotur, D. / Knockenhauer, K.E. / Grigoriu, S. / Lockbaum, G.J. / Cheong, J.E. / Lu, C. / Brennan, D. / Buker, S.M. / Liu, J. / Yao, S. / Sparling, B.A. / Sickmier, E.A. / Ribich, S. / Blakemore, S.J. / Silver, S.J. / Boriack-Sjodin, P.A. / Duncan, K.W. / Copeland, R.A.
External linksJ. Med. Chem. / PubMed:40298172
MethodsX-ray diffraction
Resolution2.27 - 3.26 Å
Structure data

PDB-9mfo:
Human DHX9 in Complex with Compound 1 and ADP
Method: X-RAY DIFFRACTION / Resolution: 3.26 Å

PDB-9mfp:
Cat DHX9 in Complex with Compound 1 and ADP
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-9mfq:
Cat DHX9 in Complex with Compound 10 and ADP
Method: X-RAY DIFFRACTION / Resolution: 2.99 Å

PDB-9mfr:
Cat DHX9 in Complex with Compound 23 and ADP
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-9mfs:
Cat DHX9 in Complex with ATX968 and ADP
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-9mft:
Human DHX9 in Complex with ATX968 and ADP
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

PDB-1bk0:
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX)

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

PDB-1bkz:
CRYSTAL STRUCTURE OF HUMAN GALECTIN-7

PDB-1bky:
VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M1CYT AND S-ADENOSYLHOMOCYSTEINE

ChemComp-CL:
Unknown entry

PDB-1bkx:
A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY

Source
  • homo sapiens (human)
  • felis catus (domestic cat)
KeywordsHYDROLASE / Helicase / DHX9 / Inhibitor / Complex

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