3Q2G

Adamts1 in complex with a novel N-hydroxyformamide inhibitors

Summary for 3Q2G

• Entry DOI: 10.2210/pdb3q2g/pdb
• Related: 3Q2H
• Descriptor: A disintegrin and metalloproteinase with thrombospondin motifs 1, N-[(2S,4S)-1-({4-[(2,4-dichlorobenzyl)oxy]piperidin-1-yl}sulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl]-N-hydroxyformamide, ZINC ION, ... (8 entities in total)
• Functional Keywords: adamts1 zn-metalloprotease, disintegrin, metalloproteinase, thrombospondin motifs, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Secreted, extracellular space, extracellular matrix (By similarity): Q9UHI8
• Total number of polymer chains: 2
• Total formula weight: 67845.91

Authors

Gerhardt, S.,Hargreaves, D. (deposition date: 2010-12-20, release date: 2011-03-30, Last modification date: 2023-11-01)

• Primary citation: 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.; The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis; Bioorg.Med.Chem.Lett., 21:1376-1381, 2011; PubMed: 21300546; DOI: 10.1016/j.bmcl.2011.01.036

Experimental method

X-RAY DIFFRACTION (2.3 Å)