5B5P

Crystal structure of the catalytic domain of MMP-13 complexed with 4-oxo-N-(3-(2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy)benzyl)-3,4-dihydroquinazoline-2-carboxamide

5B5P の概要

• エントリーDOI: 10.2210/pdb5b5p/pdb
• 関連するPDBエントリー: 3WV1 3WV2 3WV3 5B5O
• 分子名称: Collagenase 3, ZINC ION, CALCIUM ION, ... (5 entities in total)
• 機能のキーワード: mmp-13, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 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: 40076.02

構造登録者

Oki, H.,Tanaka, Y. (登録日: 2016-05-13, 公開日: 2017-01-18, 最終更新日: 2023-11-08)

• 主引用文献: Nara, H.,Kaieda, A.,Sato, K.,Naito, T.,Mototani, H.,Oki, H.,Yamamoto, Y.,Kuno, H.,Santou, T.,Kanzaki, N.,Terauchi, J.,Uchikawa, O.,Kori, M.; Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach; J. Med. Chem., 60:608-626, 2017; PubMed: 27966948; DOI: 10.1021/acs.jmedchem.6b01007

実験手法

X-RAY DIFFRACTION (1.6 Å)