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Structure paper

TitleBiaryl substituted hydantoin compounds as TACE inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 5286-5289, Year 2010
Publish dateJan 14, 2010 (structure data deposition date)
AuthorsYu, W. / Tong, L. / Kim, S.H. / Wong, M.K. / Chen, L. / Yang, D.Y. / Shankar, B.B. / Lavey, B.J. / Zhou, G. / Kosinski, A. ...Yu, W. / Tong, L. / Kim, S.H. / Wong, M.K. / Chen, L. / Yang, D.Y. / Shankar, B.B. / Lavey, B.J. / Zhou, G. / Kosinski, A. / Rizvi, R. / Li, D. / Feltz, R.J. / Piwinski, J.J. / Rosner, K.E. / Shih, N.Y. / Siddiqui, M.A. / Guo, Z. / Orth, P. / Shah, H. / Sun, J. / Umland, S. / Lundell, D.J. / Niu, X. / Kozlowski, J.A.
External linksBioorg. Med. Chem. Lett. / PubMed:20663669
MethodsX-ray diffraction
Resolution1.85 - 2 Å
Structure data

PDB-3le9:
Crystal structure of the catalytic domain of TACE with Indazolinone-phenyl-hydantoin inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-3lea:
Crystal structure of the catalytic domain of TACE with Isoindolinone-biphenyl-hydantoin inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-727:
(5R)-5-[(5-methoxy-3-oxo-1,3-dihydro-2H-indazol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-HOH:
WATER

ChemComp-Z93:
2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium

Source
  • homo sapiens (human)
KeywordsHYDROLASE / GLYCOPROTEIN / MEMBRANE / METAL-BINDING / METALLOPROTEASE / NOTCH SIGNALING PATHWAY / PHOSPHOPROTEIN / PROTEASE / TRANSMEMBRANE / ZYMOGEN

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