3VDD

Structure of HRV2 capsid complexed with antiviral compound BTA798

3VDD の概要

• エントリーDOI: 10.2210/pdb3vdd/pdb
• 分子名称: Protein VP1, Protein VP2, Protein VP3, ... (6 entities in total)
• 機能のキーワード: viral capsid, virus-drug complex, virus
• 由来する生物種: Human rhinovirus 2 (HRV-2); 詳細
• 細胞内の位置: Capsid protein VP0: Virion (By similarity). Capsid protein VP4: Virion (By similarity). Capsid protein VP2: Virion (By similarity). Capsid protein VP3: Virion (By similarity). Capsid protein VP1: Virion (By similarity). Protein 2B: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 2C: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 3A: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Protein 3AB: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). Viral protein genome-linked: Virion (By similarity). Protease 3C: Host cytoplasm (By similarity). Protein 3CD: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential). RNA-directed RNA polymerase: Host cytoplasmic vesicle membrane; Peripheral membrane protein; Cytoplasmic side (Potential): P04936 P04936 P04936 P04936
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 95262.10

構造登録者

Morton, C.J.,Feil, S.C.,Parker, M.W. (登録日: 2012-01-05, 公開日: 2012-09-12, 最終更新日: 2023-09-13)

主引用文献

Feil, S.C.,Hamilton, S.,Krippner, G.Y.,Lin, B.,Luttick, A.,McConnell, D.B.,Nearn, R.,Parker, M.W.,Ryan, J.,Stanislawski, P.C.,Tucker, S.P.,Watson, K.G.,Morton, C.J.
An Orally Available 3-Ethoxybenzisoxazole Capsid Binder with Clinical Activity against Human Rhinovirus.
ACS Med Chem Lett, 3:303-307, 2012

PubMed Abstract: Respiratory infections caused by human rhinovirus are responsible for severe exacerbations of underlying clinical conditions such as asthma in addition to their economic cost in terms of lost working days due to illness. While several antiviral compounds for treating rhinoviral infections have been discovered, none have succeeded, to date, in reaching approval for clinical use. We have developed a potent, orally available rhinovirus inhibitor 6 that has progressed through early clinical trials. The compound shows favorable pharmacokinetic and activity profiles and has a confirmed mechanism of action through crystallographic studies of a rhinovirus-compound complex. The compound has now progressed to phase IIb clinical studies of its effect on natural rhinovirus infection in humans.

PubMed: 24900468
DOI: 10.1021/ml2002955

実験手法

X-RAY DIFFRACTION (3.2 Å)