9AW7

Yeast 20S proteasome soaked with isolated TMC-95B

これはPDB形式変換不可エントリーです。

9AW7 の概要

• エントリーDOI: 10.2210/pdb9aw7/pdb
• 分子名称: PRE8 isoform 1, Proteasome subunit beta, proteasome endopeptidase complex, ... (20 entities in total)
• 機能のキーワード: hydrolase
• 由来する生物種: Saccharomyces cerevisiae (brewer's yeast); 詳細
• タンパク質・核酸の鎖数: 28
• 化学式量合計: 741029.06

構造登録者

Meneghello, R.,Rustiguel, J.K.,Fernandes, A.Z.N.,Trivella, D.B.B. (登録日: 2024-03-05, 公開日: 2025-03-19, 最終更新日: 2025-05-07)

主引用文献

Meneghello, R.,Rustiguel, J.K.,de Araujo, E.A.,de Felicio, R.,Fernandes, A.Z.N.,Ferreira, E.L.F.,Gubiani, J.R.,Takeda, A.A.S.,Araujo, A.,de Lima Silva, C.C.,Bertonha, A.F.,Urano, R.P.M.,Trindade, D.M.,Cunha, T.M.,Cardoso, A.C.,Berlinck, R.G.S.,Nascimento, A.F.Z.,Trivella, D.B.B.
High-throughput protein crystallography to empower natural product-based drug discovery.
Acta Crystallogr.,Sect.F, 81:179-192, 2025

PubMed Abstract: Nature is a rich and largely untapped reservoir of small molecules, the latter historically being the main source of new drugs. Three-dimensional structures of proteins in complex with small-molecule ligands represent key information to progress drug-discovery projects, in particular in the hit-to-lead phase. High-throughput crystallography has been of extensive use in recent years, especially to obtain crystallographic complexes of synthetic ligands and fragments. However, the process of discovering novel bioactive natural products has experienced limitations that have long prevented large drug-discovery programs using this outstanding source of molecules. Recent technologies have contributed to the re-emergence of natural products in modern drug discovery. We present the use of high-throughput protein crystallography to directly capture bioactive natural products from unpurified biota chemical samples using protein crystals. These routines, which are currently in use at the Brazilian Centre for Research in Energy and Materials (CNPEM), are introduced with a description of crystal preparation, automated data collection and processing at the MANACÁ beamline (Sirius, LNLS, CNPEM), along with case examples of bioactive natural product capture using protein crystals. The usefulness of this pipeline, which accelerates the discovery and structural elucidation of both known and previously unknown bioactive natural products, paves the way for the development of innovative therapeutic agents, thus contributing to the new era of natural product-based drug discovery.

PubMed: 40237633
DOI: 10.1107/S2053230X25001542

実験手法

X-RAY DIFFRACTION (2.91 Å)