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Structure paper

TitleThe design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 1376-1381, Year 2011
Publish dateDec 20, 2010 (structure data deposition date)
AuthorsDe Savi, C. / Pape, A. / Cumming, J.G. / Ting, A. / Smith, P.D. / Burrows, J.N. / Mills, M. / Davies, C. / Lamont, S. / Milne, D. ...De Savi, C. / Pape, A. / Cumming, J.G. / Ting, A. / Smith, P.D. / Burrows, J.N. / Mills, M. / Davies, C. / Lamont, S. / Milne, D. / Cook, C. / Moore, P. / Sawyer, Y. / Gerhardt, S.
External linksBioorg. Med. Chem. Lett. / PubMed:21300546
MethodsX-ray diffraction
Resolution2.3 - 2.33 Å
Structure data

PDB-3q2g:
Adamts1 in complex with a novel N-hydroxyformamide inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-3q2h:
Adamts1 in complex with N-hydroxyformamide inhibitors of ADAM-TS4
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

Chemicals

ChemComp-QGF:
N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide

ChemComp-ZN:
Unknown entry

ChemComp-CD:
Unknown entry

ChemComp-NI:
NICKEL (II) ION

ChemComp-MG:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-QHF:
N-[(2S,4S)-1-({4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Adamts1 Zn-Metalloprotease / disintegrin / metalloproteinase / thrombospondin motifs / HYDROLASE-HYDROLASE INHIBITOR complex

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