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TitleIn Silico Enabled Discovery of KAI-11101, a Preclinical DLK Inhibitor for the Treatment of Neurodegenerative Disease and Neuronal Injury.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 2720-2741, Year 2025
Publish dateJun 25, 2024 (structure data deposition date)
AuthorsLagiakos, H.R. / Zou, Y. / Igawa, H. / Therrien, E. / Lawrenz, M. / Kato, M. / Svensson, M. / Gray, F. / Jensen, K. / Dahlgren, M.K. ...Lagiakos, H.R. / Zou, Y. / Igawa, H. / Therrien, E. / Lawrenz, M. / Kato, M. / Svensson, M. / Gray, F. / Jensen, K. / Dahlgren, M.K. / Pelletier, R.D. / Dingley, K. / Bell, J.A. / Liu, Z. / Jiang, Y. / Zhou, H. / Skene, R.J. / Nie, Z.
External linksJ. Med. Chem. / PubMed:39670820
MethodsX-ray diffraction
Resolution1.5 - 2.38 Å
Structure data

PDB-9cdx:
Crystal structure of DLK with inhibitor bound
Method: X-RAY DIFFRACTION / Resolution: 2.38 Å

PDB-9cdy:
Crystal structure of DLK with inhibitor bound
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

PDB-1azp:
HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SAC7D BOUND WITH KINKED DNA DUPLEX

ChemComp-HOH:
WATER

PDB-1az8:
BOVINE TRYPSIN COMPLEXED TO BIS-PHENYLAMIDINE INHIBITOR

ChemComp-MG:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / DUAL LEUCINE ZIPPER BEARING KINASE / COMPLEX / INHIBITOR / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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