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Structure paper

TitleIdentification of potent and selective TACE inhibitors via the S1 pocket.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 34-39, Year 2007
Publish dateAug 21, 2006 (structure data deposition date)
AuthorsCondon, J.S. / Joseph-McCarthy, D. / Levin, J.I. / Lombart, H.G. / Lovering, F.E. / Sun, L. / Wang, W. / Xu, W. / Zhang, Y.
External linksBioorg. Med. Chem. Lett. / PubMed:17064892
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-2i47:
Crystal structure of catalytic domain of TACE with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-ZN:
Unknown entry

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

ChemComp-KGY:
4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / TACE/ADAM-17 / TACE-inhibitor complex

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