<sup>19</sup>F-NMR data on protein-ligand complexes.

NIAID Data Ecosystem2026-03-08 收录

蛋白质-配体相互作用

核磁共振波谱

数据链接：

https://figshare.com/articles/dataset/_19_F_NMR_data_on_protein_ligand_complexes_/1481411 数据链接链接失效反馈

官方服务：

资源简介：

a free ligand data in CDCl3 19F-NMR data on protein-ligand complexes.

创建时间：

2015-07-13

Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution.

晶体结构解析

蛋白质-配体相互作用

Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution. Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... Autho

Protein Data Bank Japan2024-11-20 更新30

Non-bonded interactions of the docked complexes after the 100-ns simulation time, where H, PS, PA, and A represent hydrogen, pi-sulfur, pi-alkyl, and alkyl bonds, respectively.

分子动力学模拟

蛋白质-配体相互作用

Non-bonded interactions of the docked complexes after the 100-ns simulation time, where H, PS, PA, and A represent hydrogen, pi-sulfur, pi-alkyl, and alkyl bonds, respectively.

Figshare2022-08-23 更新00

Glycyrrhetinic acid/Enoxolone 900_400MHz DMSOd6 NMR data

核磁共振波谱

化合物结构解析

NMR data for glycyrrhetinic acid (Enoxolone) in DMSO-d6. The dataset contains the 1D 1H and 13C, as well as 2D COSY, HSQC, HMBC acquired at 900MHz (Bruker Avance spectrometer, equipped with cryoprobe

Harvard Dataverse2019-04-30 更新00

Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide

药物靶点识别

蛋白质-配体相互作用

Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide Descriptor: (S)-5-(1-acetyl-2-cyclopropyl-4-

Protein Data Bank Japan2024-05-08 更新20

Electron-transfer-enabled concerted nucleophilic fluorination of azaarenes: selective C–H fluorination of quinolines

选择性C-H氟化

核磁共振波谱

NMR FID data

NIAID Data Ecosystem00