日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Water Networks as Hydrophobic Recognition Motifs in Proteins

水网络作为蛋白质中的疏水识别基序

Piticchio, Serena G; Martínez-Cartró, Miriam; Scaffidi, Salvatore; Rodríguez-Arévalo, Sergio; Bagán, Andrea; Sánchez-Arfelis, Ainoa; Picaud, Sarah; Krojer, Tobias; Filippakopoulos, Panagis; von Delft, Frank; Escolano, Carmen; Galdeano, Carles; Barril, Xavier

Structure-activity relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures

结构-活性关系可以直接从粗反应混合物中片段衍生化的高通量晶体学评价中提取出来。

Grosjean, Harold; Fieseler, Kate K; Sanchez-Garcia, Rubén; Thompson, Warren; Deane, Charlotte M; von Delft, Frank; Biggin, Philip C

Crystal structure of fatty acid thioesterase A bound by 129 fragments provides diverse development opportunities

脂肪酸硫酯酶A与129个片段结合的晶体结构提供了多种开发机会

Kot, Ekaterina; Ferla, Matteo Paolo; Hollinshead, Patricia Helen; Tomlinson, Charles William Ernest; Fearon, Daren; Aschenbrenner, Jasmin Cara; Koekemoer, Lizbé; Winokan, Max; Fairhead, Michael; Ni, Xiaomin; Chalk, Rod; England, Katherine Sara; Varga, Laura Ortega; Montgomery, Mark Greer; Mulholland, Nicholas Phillip; von Delft, Frank

Workflow for Crystallographic Fragment Screening by Crystal Soaking for Protein Targets: A Case Study on Thioredoxin Glutathione Reductase From Schistosoma mansoni

利用晶体浸泡法筛选蛋白质靶标的晶体学片段的工作流程:以曼氏血吸虫硫氧还蛋白谷胱甘肽还原酶为例

Neto, Lauro R S; Montoya, Bogar O; Brandão-Neto, José; Parker, Kelly; Von Delft, Frank; Furnham, Nicholas; Owens, Raymond J; Silva-Jr, Floriano P

Binding-Site Purification of Actives (B-SPA) Enables Efficient Large-Scale Progression of Fragment Hits by Combining Multi-Step Array Synthesis With HT Crystallography

结合位点活性化合物纯化(B-SPA)结合多步阵列合成和高通量晶体学,可实现片段先导化合物的高效大规模筛选。

Grosjean, Harold; Aimon, Anthony; Hassell-Hart, Storm; Thompson, Warren; Koekemoer, Lizbé; Bennett, James; Bradley, Anthony; Anderson, Cameron; Wild, Conor; Bradshaw, William J; FitzGerald, Edward A; Krojer, Tobias; Fedorov, Oleg; Biggin, Philip C; Spencer, John; von Delft, Frank

Combined crystallographic fragment screening and deep mutational scanning enable discovery of Zika virus NS2B-NS3 protease inhibitors

结合晶体学片段筛选和深度突变扫描,可以发现寨卡病毒NS2B-NS3蛋白酶抑制剂。

Ni, Xiaomin; Richardson, R Blake; Godoy, Andre Schutzer; Ferla, Matteo P; Kikawa, Caroline; Scheen, Jenke; Hannon, William W; Capkin, Eda; Lahav, Noa; Balcomb, Blake H; Marples, Peter G; Fairhead, Michael; Wang, SiYi; Williams, Eleanor P; Tomlinson, Charles W E; Aschenbrenner, Jasmin C; Lithgo, Ryan M; Winokan, Max; Giroud, Charline; Dolci, Isabela; Fernandes, Rafaela Sachetto; Oliva, Glaucius; Chandran, Anu V; Xavier, Mary-Ann; Walsh, Martin A; Thompson, Warren; Bloom, Jesse D; Kenton, Nathaniel T; Lee, Alpha A; von Delft, Annette; Barr, Haim; Kirkegaard, Karla; Koekemoer, Lizbé; Fearon, Daren; Evans, Matthew J; von Delft, Frank

Gluebodies Offer a Route To Improve Crystal Reliability and Diversity through Transferable Nanobody Mutations That Introduce Constitutive Close Contacts

胶体提供了一种通过可转移的纳米抗体突变来提高晶体可靠性和多样性的途径,这些突变引入了组成性的紧密接触。

Ye, Mingda; Makola, Mpho; Richards, Mark W; Newman, Joseph A; Fairhead, Michael; Burgess, Selena G; Wu, Zhihuang; Maclean, Elizabeth; Wright, Nathan D; Koekemoer, Lizbé; Thompson, Andrew; Bezerra, Gustavo Arruda; Yi, Gangshun; Li, Huanyu; Rangel, Victor L; Mamalis, Dimitrios; Aitkenhead, Hazel; Davis, Benjamin G; Gilbert, Robert J C; Duerr, Katharina L; Bayliss, Richard; Gileadi, Opher; von Delft, Frank

Crystallographic Fragment Screening of the Dengue Virus Polymerase Reveals Multiple Binding Sites for the Development of Non-nucleoside Antiflavivirals

登革病毒聚合酶晶体学片段筛选揭示了多个结合位点,可用于开发非核苷类抗黄病毒药物

Saini, Manisha; Aschenbrenner, Jasmin C; Ruiz, Francesc Xavier; Chopra, Ashima; Chandran, Anu V; Marples, Peter G; Balcomb, Blake H; Fearon, Daren; von Delft, Frank; Arnold, Eddy

Crystallographic fragment screening reveals ligand hotspots in TRIM21 PRY-SPRY domain.

晶体学片段筛选揭示了TRIM21 PRY-SPRY结构域中的配体热点

Kim Yeojin, Lučić Aleksandar, Lenz Christopher, Farges Frederic, Schwalm Martin P, Saxena Krishna, Hanke Thomas, Marples Peter G, Aschenbrenner Jasmin C, Fearon Daren, von Delft Frank, Krämer Andreas, Knapp Stefan

Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding-based methodology

Fragmenstein:利用严格的基于保守结合的方法预测由已知晶体学片段序列衍生的化合物的蛋白质-配体结构

Ferla, Matteo P; Sánchez-García, Rubén; Skyner, Rachael E; Gahbauer, Stefan; Taylor, Jenny C; von Delft, Frank; Marsden, Brian D; Deane, Charlotte M