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-Structure paper
Title | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. |
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Journal, issue, pages | Bioorg. Med. Chem. Lett., Vol. 20, Page 576-580, Year 2010 |
Publish date | Oct 25, 2009 (structure data deposition date) |
![]() | Schnute, M.E. / O'Brien, P.M. / Nahra, J. / Morris, M. / Howard Roark, W. / Hanau, C.E. / Ruminski, P.G. / Scholten, J.A. / Fletcher, T.R. / Hamper, B.C. ...Schnute, M.E. / O'Brien, P.M. / Nahra, J. / Morris, M. / Howard Roark, W. / Hanau, C.E. / Ruminski, P.G. / Scholten, J.A. / Fletcher, T.R. / Hamper, B.C. / Carroll, J.N. / Patt, W.C. / Shieh, H.S. / Collins, B. / Pavlovsky, A.G. / Palmquist, K.E. / Aston, K.W. / Hitchcock, J. / Rogers, M.D. / McDonald, J. / Johnson, A.R. / Munie, G.E. / Wittwer, A.J. / Man, C.F. / Settle, S.L. / Nemirovskiy, O. / Vickery, L.E. / Agawal, A. / Dyer, R.D. / Sunyer, T. |
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Methods | X-ray diffraction |
Resolution | 1.97 - 2.3 Å |
Structure data | ![]() PDB-3kec: ![]() PDB-3kej: ![]() PDB-3kek: |
Chemicals | ![]() ChemComp-ZN: ![]() ChemComp-CA: ![]() ChemComp-SO4: ![]() ChemComp-3KE: ![]() ChemComp-HAE: ![]() ChemComp-HOH: ![]() ChemComp-3EJ: ![]() ChemComp-3EK: |
Source |
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![]() | HYDROLASE/HYDROLASE INHIBITOR / S1' inhibitor; selective MMP-13 inhibitor; S1' specificity pocket; no contact to Zn / Collagen degradation / Disease mutation / Disulfide bond / Extracellular matrix / Glycoprotein / Hydrolase / Metal-binding / Metalloprotease / Protease / Secreted / Zymogen / HYDROLASE-HYDROLASE INHIBITOR complex / S1' inhibitor / selective MMP-13 inhibitor / S1' specificity pocket / no contact to Zn / S1' inhibitor; selective MMP-13 inhibitor; S1' specificity |