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TitlePotent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 61, Page e202114922-e202114922, Year 2022
Publish dateJul 15, 2021 (structure data deposition date)
AuthorsYang, X. / Lu, H. / Xie, H. / Zhang, B. / Nie, T. / Fan, C. / Yang, T. / Xu, Y. / Su, H. / Tang, W. / Zhou, B.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:34851543
MethodsX-ray diffraction
Resolution2 - 2.21 Å
Structure data

PDB-7fcz:
Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-7fd0:
Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-3IF:
N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-3IU:
N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM/INHIBITOR / IMMUNE SYSTEM-INHIBITOR COMPLEX

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