6H80
Dengue-RdRp3-inhibitor complex co-crystallisation
6H80 の概要
エントリーDOI | 10.2210/pdb6h80/pdb |
分子名称 | Genome polyprotein, 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, ZINC ION, ... (5 entities in total) |
機能のキーワード | dengue virus; crystallization screen; rna-dependent rna polymerase; flavivirus; antiviral drug-discovery, viral protein |
由来する生物種 | Dengue virus type 3 (strain Sri Lanka/1266/2000) (DENV-3) |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 74534.58 |
構造登録者 | |
主引用文献 | Riccio, F.,Talapatra, S.K.,Oxenford, S.,Angell, R.,Mazzon, M.,Kozielski, F. Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases. Biol Open, 8:-, 2019 Cited by PubMed Abstract: Members of the family constitute a severe risk to human health. Whilst effective drugs have been developed against the HCV, no antiviral therapy is currently available for any other viruses, including the dengue (DENV), West Nile and Zika viruses. The RNA-dependent RNA polymerase (RdRp) is responsible for viral replication and represents an excellent therapeutic target with no homologue found in mammals. The identification of compounds targeting the RdRp of other flaviviruses is an active area of research. One of the main factors hampering further developments in the field is the difficulty in obtaining high-quality crystal information that could aid a structure-based drug discovery approach. To address this, we have developed a convenient and economical 96-well screening platform. We validated the screen by successfully obtaining crystals of both native DENV serotype 2 and 3 RdRps under several conditions included in the screen. In addition, we have obtained crystal structures of RdRp3 in complex with a previously identified fragment using both soaking and co-crystallization techniques. This work will streamline and accelerate the generation of crystal structures of viral RdRps and provide the community with a valuable tool to aid the development of structure-based antiviral design. PubMed: 30602529DOI: 10.1242/bio.037663 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.3 Å) |
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