1D8M

CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR

1D8M の概要

• エントリーDOI: 10.2210/pdb1d8m/pdb
• 関連するPDBエントリー: 1CQR 1D5J 1D7X 1D8F
• 分子名称: STROMELYSIN-1 PRECURSOR, ZINC ION, CALCIUM ION, ... (5 entities in total)
• 機能のキーワード: mixed alpha beta structure, zinc protease, inhibited, hydrolase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Secreted, extracellular space, extracellular matrix (Probable): P08254
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 39754.61

構造登録者

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. (登録日: 1999-10-25, 公開日: 2000-10-25, 最終更新日: 2024-02-07)

主引用文献

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

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: 11327577
DOI: 10.1016/S0960-894X(01)00137-8

実験手法

X-RAY DIFFRACTION (2.44 Å)