2YIG

MMP13 in complex with a novel selective non zinc binding inhibitor

2YIG の概要

• エントリーDOI: 10.2210/pdb2yig/pdb
• 関連するPDBエントリー: 1EUB 1FLS 1FM1 1PEX 1UC1 1XUC 1XUD 1XUR 1YOU 1ZTQ 2D1N 456C 830C
• 分子名称: COLLAGENASE 3, 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE, ZINC ION, ... (6 entities in total)
• 機能のキーワード: hydrolase, collagenase 3, mmp-13, matrixmetalloprotease
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Secreted, extracellular space, extracellular matrix : P45452
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 39868.75

構造登録者

Gerhardt, S.,Hargreaves, D. (登録日: 2011-05-13, 公開日: 2011-06-29, 最終更新日: 2024-05-08)

主引用文献

Savi, C.D.,Morley, A.D.,Ting, A.,Nash, I.,Karabelas, K.,Wood, C.M.,James, M.,Norris, S.J.,Karoutchi, G.,Rankine, N.,Hamlin, G.,Macfaul, P.A.,Ryan, D.,Baker, S.V.,Hargreaves, D.,Gerhardt, S.
Selective Non Zinc Binding Inhibitors of Mmp13.
Bioorg.Med.Chem.Lett., 21:4215-, 2011

PubMed Abstract: Directed screening has identified a novel series of MMP13 inhibitors that possess good levels of activity whilst possessing excellent selectivity over related MMPs. The binding mode of the series has been solved by co-crystallisation and demonstrates an interesting mode of inhibition without interaction with the catalytic zinc atom.

PubMed: 21669521
DOI: 10.1016/J.BMCL.2011.05.075

実験手法

X-RAY DIFFRACTION (1.7 Å)