1D8M
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR
Summary for 1D8M
| Entry DOI | 10.2210/pdb1d8m/pdb |
| Related | 1CQR 1D5J 1D7X 1D8F |
| Descriptor | STROMELYSIN-1 PRECURSOR, ZINC ION, CALCIUM ION, ... (5 entities in total) |
| Functional Keywords | mixed alpha beta structure, zinc protease, inhibited, hydrolase |
| Biological source | Homo sapiens (human) |
| Cellular location | Secreted, extracellular space, extracellular matrix (Probable): P08254 |
| Total number of polymer chains | 2 |
| Total formula weight | 39754.61 |
| Authors | Pikul, S.,Dunham, K.M.,Almstead, N.G.,De, B.,Natchus, M.G.,Taiwo, Y.O.,Williams, L.E.,Hynd, B.A.,Hsieh, L.C.,Janusz, M.J.,Gu, F.,Mieling, G.E. (deposition date: 1999-10-25, release date: 2000-10-25, Last modification date: 2024-02-07) |
| Primary citation | Pikul, S.,Dunham, K.M.,Almstead, N.G.,De, B.,Natchus, M.G.,Taiwo, Y.O.,Williams, L.E.,Hynd, B.A.,Hsieh, L.C.,Janusz, M.J.,Gu, F.,Mieling, G.E. Heterocycle-based MMP inhibitors with P2' substituents. Bioorg.Med.Chem.Lett., 11:1009-1013, 2001 Cited by PubMed Abstract: Potent and selective inhibition of matrix metalloproteinases was demonstrated for a series of sulfonamide-based hydroxamic acids. The design of the heterocyclic sulfonamides incorporates a six- or seven-member central ring with a P2' substituent that can be modified. Binding interactions of this substituent at the S2' site are believed to contribute to high inhibitory potency against stromelysin, collagenase-3 and gelatinases A and B, and to provide selectivity against collagenase-1 and matrilysin. An X-ray structure of a stromelysin inhibitor complex was obtained to provide insights into the SAR and selectivity trends observed for the series. PubMed: 11327577DOI: 10.1016/S0960-894X(01)00137-8 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.44 Å) |
Structure validation
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