Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)

Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) Descriptor: (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. Deposit date: 2016-03-14 Release date: 2016-05-25 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published

本数据集记录了人源JARID1B催化结构域与Maybridge片段4,5-二氢萘并(1,2-b)噻吩-2-羧酸（N11181a）的复合物晶体结构，其中配体基于PANDDA事件图谱建模，数据源自SGC-Diamond I04-1片段筛选实验。
体系组分：(3R)-5-氟-3-羟基-1,3-二氢-2H-吲哚-2-酮、1,2-乙二醇、4-(2-羟乙基)-1-哌嗪乙磺酸等。
作者：Nowak, R、Krojer, T、Johansson, C、Kupinska, K、Szykowska, A、Pearce, N、Talon, R、Collins, P、Gileadi, C、Strain-Damerell, C、Burgess-Brown, N.A、Arrowsmith, C.H、Bountra, C、Edwards, A.M、von Delft, F、Brennan, P.E、Oppermann, U。
提交日期：2016-03-14；发布日期：2016-05-25；最后修改日期：2024-01-10。
实验方法：X射线衍射（分辨率2.09埃）。
引用信息：人源JARID1B催化结构域与Maybridge片段4,5-二氢萘并(1,2-b)噻吩-2-羧酸（N11181A）的复合物晶体结构（配体基于PANDDA事件图谱建模，SGC-Diamond I04-1片段筛选），待发表。