2BDL

Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor

2BDL の概要

• エントリーDOI: 10.2210/pdb2bdl/pdb
• 分子名称: Cathepsin K, (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE (3 entities in total)
• 機能のキーワード: cathepsin, cysteine protease, catk, cato, hydrolase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 24067.13

構造登録者

Shewchuk, L.M. (登録日: 2005-10-20, 公開日: 2006-03-21, 最終更新日: 2024-11-20)

主引用文献

Barrett, D.G.,Catalano, J.G.,Deaton, D.N.,Hassell, A.M.,Long, S.T.,Miller, A.B.,Miller, L.R.,Ray, J.A.,Samano, V.,Shewchuk, L.M.,Wells-Knecht, K.J.,Willard Jr., D.H.,Wright, L.L.
Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 16:1735-1739, 2006

PubMed Abstract: Starting from a potent pantolactone ketoamide cathepsin K inhibitor discovered from structural screening, conversion of the lactone scaffold to a pyrrolidine scaffold allowed exploration of the S(3) subsite of cathepsin K. Manipulation of P3 and P1' groups afforded potent inhibitors with drug-like properties.

PubMed: 16376075
DOI: 10.1016/j.bmcl.2005.11.101

実験手法

X-RAY DIFFRACTION (2 Å)