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Structure paper

TitleDiscovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 5809-5814, Year 2008
Publish dateAug 20, 2008 (structure data deposition date)
AuthorsMazzola, R.D. / Zhu, Z. / Sinning, L. / McKittrick, B. / Lavey, B. / Spitler, J. / Kozlowski, J. / Neng-Yang, S. / Zhou, G. / Guo, Z. ...Mazzola, R.D. / Zhu, Z. / Sinning, L. / McKittrick, B. / Lavey, B. / Spitler, J. / Kozlowski, J. / Neng-Yang, S. / Zhou, G. / Guo, Z. / Orth, P. / Madison, V. / Sun, J. / Lundell, D. / Niu, X.
External linksBioorg. Med. Chem. Lett. / PubMed:18835710
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-3e8r:
Crystal structure of catalytic domain of TACE with hydroxamate inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3edz:
Crystal structure of catalytic domain of TACE with hydroxamate inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-615:
(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide

ChemComp-INN:
N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

ChemComp-550:
methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate

Source
  • homo sapiens (human)
KeywordsHYDROLASE / TACE ADAM17 ZN-Endopeptidase / Cleavage on pair of basic residues / Glycoprotein / Membrane / Metal-binding / Metalloprotease / Notch signaling pathway / Phosphoprotein / Protease / SH3-binding / Transmembrane / Zymogen / ZN-ENDOPEPTIDASE

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