Supplementary Data for the FRASE-bot / CIB1 manuscript

Name: Supplementary Data for the FRASE-bot / CIB1 manuscript
Creator: Dmitri Kireev
Published: 2026-04-09T12:26:53+08:00

Mendeley Data2026-04-09 收录

片段药物设计

数据链接：

https://data.mendeley.com/datasets/9yn47cy5jv 数据链接链接失效反馈

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资源简介：

Input/output files for/from the FRASE-bot Pipeline Pilot protocols for CIB1.

针对CIB1的FRASE-bot Pipeline Pilot协议的输入、输出文件及源自该协议的文件

提供机构：

Dmitri Kireev

Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds

片段药物设计

Keap1-Nrf2抑制剂

Targeting the protein–protein interaction (PPI) between nuclear factor erythroid 2-related factor 2 (Nrf2) and Kelch-like ECH-associated protein 1 (Keap1) is a potential therapeutic strategy to contro

NIAID Data Ecosystem50

Crystal structure of the cAMP-dependent protein kinase A cocrystallized with Methyl 5-isoquinolinecarboxylate and PKI (5-24)

蛋白激酶A抑制剂

片段药物设计

Crystal structure of the cAMP-dependent protein kinase A cocrystallized with Methyl 5-isoquinolinecarboxylate and PKI (5-24) Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, M

Protein Data Bank Japan2024-11-13 更新30

Endothiapepsin in complex with a fragment

片段药物设计

蛋白质复合物结构解析

Endothiapepsin in complex with a fragment Descriptor: 1H-isoindol-3-amine, Endothiapepsin, GLYCEROL Authors: Koester, H, Heine, A, Klebe, G. Deposit date: 2010-10-20 Release date: 2011-10-19 Last modi

Protein Data Bank Japan2024-11-06 更新10

Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin

片段药物设计

蛋白质-配体复合物结构

Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin

NIAID Data Ecosystem30

Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one

片段药物设计

糜蛋白酶结构解析

Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ... Au

Protein Data Bank Japan2024-11-27 更新20

Supplementary Data for the FRASE-bot / CIB1 manuscript

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