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TitleIdentification of TAK-756, A Potent TAK1 Inhibitor for the Treatment of Osteoarthritis through Intra-Articular Administration.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 21163-21185, Year 2024
Publish dateJun 13, 2024 (structure data deposition date)
AuthorsLanglois, J.B. / Brenneisen, S. / Rodde, S. / Vangrevelinghe, E. / Rose, G. / Lerch, P. / Sorge, M. / Ullrich, T. / Patora-Komisarska, K. / Quancard, J. ...Langlois, J.B. / Brenneisen, S. / Rodde, S. / Vangrevelinghe, E. / Rose, G. / Lerch, P. / Sorge, M. / Ullrich, T. / Patora-Komisarska, K. / Quancard, J. / Larger, P. / Gianola, L. / Textor, C. / Chenal, G. / Rubic-Schneider, T. / Simkova, K. / Masmanidou, O. / Scheufler, C. / Lammens, A. / Bouzan, A. / Demirci, S. / Flotte, L. / Rivet, H. / Hartmann, L. / Guezel, D. / Flueckiger, M. / Schilb, A. / Schuepbach, E. / Kettle, R. / Jacobi, C. / Pearson, D. / Richards, P.J. / Minetti, G.C.
External linksJ. Med. Chem. / PubMed:39576936
MethodsX-ray diffraction
Resolution2.402 Å
Structure data

PDB-9fpd:
Crystal structure of human TAK1/TAB1 fusion protein in complex with compound S1
Method: X-RAY DIFFRACTION / Resolution: 2.402 Å

Chemicals

PDB-1ied:
CRYSTAL STRUCTURE OF THE CATALYTIC SITE MUTANT (H157E) OF THE HUMAN CYTOMEGALOVIRUS PROTEASE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Inhibitor / Complex

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