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TitleThe Discovery of Bridged Benzoazepine Amides as Selective Allosteric Modulators of RIPK1.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 16, Page 811-818, Year 2025
Publish dateJan 23, 2025 (structure data deposition date)
AuthorsChen, J.L. / Methot, J.L. / Mitcheltree, M.J. / Musacchio, A. / Corcoran, E.B. / Feng, G. / Lammens, A. / Maskos, K. / Palte, R.L. / Rickard, M.M. ...Chen, J.L. / Methot, J.L. / Mitcheltree, M.J. / Musacchio, A. / Corcoran, E.B. / Feng, G. / Lammens, A. / Maskos, K. / Palte, R.L. / Rickard, M.M. / Otte, K.M. / Mansueto, M.S. / Venkat, S. / Sondey, C. / Thomsen, M. / Lesburg, C.A. / Fradera, X. / Fell, M.J. / DiMauro, E.F. / Siliphaivanh, P.
External linksAcs Med. Chem. Lett. / PubMed:40365380
MethodsX-ray diffraction
Resolution2.32 - 2.68 Å
Structure data

PDB-9mzx:
Crystal structure of human RIPK1 with Compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.53 Å

PDB-9mzy:
Crystal structure of human RIPK1 with Compound 22
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-9mzz:
Crystal structure of RIPK1 with compound 36
Method: X-RAY DIFFRACTION / Resolution: 2.68 Å

Chemicals

PDB-1bu4:
RIBONUCLEASE 1 COMPLEX WITH 2'GMP

ChemComp-IOD:
IODIDE ION

ChemComp-HOH:
WATER

PDB-1bu6:
CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION

ChemComp-GLY:
GLYCINE

ChemComp-CL:
Unknown entry

PDB-1bu5:
X-RAY CRYSTAL STRUCTURE OF THE DESULFOVIBRIO VULGARIS (HILDENBOROUGH) APOFLAVODOXIN-RIBOFLAVIN COMPLEX

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / Kinase / serine/threonine-protein kinase / Inhibitor / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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