6JPW

Crystal structure of Zika NS2B-NS3 protease with compound 1C

6JPW の概要

• エントリーDOI: 10.2210/pdb6jpw/pdb
• 分子名称: Serine protease subunit NS2B, NS3 protease, SER-C0F-GLY-LYS-ARG-LYS, ... (4 entities in total)
• 機能のキーワード: viral protease, protease inhibitor complex, viral protein
• 由来する生物種: Zika virus (ZIKV); 詳細
• タンパク質・核酸の鎖数: 11
• 化学式量合計: 102173.94

構造登録者

Quek, J.P. (登録日: 2019-03-28, 公開日: 2019-06-26, 最終更新日: 2023-11-22)

主引用文献

Nitsche, C.,Onagi, H.,Quek, J.P.,Otting, G.,Luo, D.,Huber, T.
Biocompatible Macrocyclization between Cysteine and 2-Cyanopyridine Generates Stable Peptide Inhibitors.
Org.Lett., 21:4709-4712, 2019

PubMed Abstract: Peptides featuring an N-terminal cysteine residue and the unnatural amino acid 3-(2-cyano-4-pyridyl)alanine (Cpa) cyclize spontaneously in aqueous solution at neutral pH. Cpa is readily available and easily introduced into peptides using standard solid-phase peptide synthesis. The reaction is orthogonal to all proteinogenic amino acids, including cysteine residues that are not at the N-terminus. A substrate peptide of the Zika virus NS2B-NS3 protease cyclized in this way produced an inhibitor of high affinity and proteolytic stability.

PubMed: 31188009
DOI: 10.1021/acs.orglett.9b01545

実験手法

X-RAY DIFFRACTION (1.951 Å)