pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 14)

pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 14) Descriptor: N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... Authors: Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A. Deposit date: 2014-08-27 Release date: 2014-09-10 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities. J.Med.Chem., 57, 2014

本数据集收录了pVHL、EloB与EloC组成的复合物与(2S,4R)-1-((S)-2-((S)-2-乙酰氨基-3-苯基丙酰胺基)-3,3-二甲基丁酰基)-4-羟基-N-(4-(4-甲基噻唑-5-基)苄基)吡咯烷-2-甲酰胺（配体14）结合的三维结构数据。复合物的分子描述符为：N-乙酰-L-苯丙氨酰基-3-甲基-L-缬氨酰基-(4R)-4-羟基-N-[4-(4-甲基-1,3-噻唑-5-基)苄基]-L-脯氨酰胺；涉及的蛋白包括转录延伸因子B多肽1（Transcription elongation factor B polypeptide 1，即EloB）、转录延伸因子B多肽2（Transcription elongation factor B polypeptide 2，即EloC）等。本数据集作者为Gadd, M.S.、Galdeano, C.、van Molle, I.、Ciulli, A.；数据提交日期为2014-08-27，发布日期为2014-09-10，最后修改日期为2024-10-23。结构解析采用X射线衍射法，分辨率为2.1 Å。相关引用文献：《Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities》，发表于《药物化学杂志（J. Med. Chem.）》，2014年，第57卷。