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

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

Studies on the selectivity of the SARS-CoV-2 papain-like protease reveal the importance of the P2' proline of the viral polyprotein

对SARS-CoV-2木瓜蛋白酶样蛋白酶选择性的研究揭示了病毒多聚蛋白P2'脯氨酸的重要性。

Chan, H T Henry; Brewitz, Lennart; Lukacik, Petra; Strain-Damerell, Claire; Walsh, Martin A; Schofield, Christopher J; Duarte, Fernanda

Control of phosphodiesterase activity in the regulator of biofilm dispersal RbdA from Pseudomonas aeruginosa

铜绿假单胞菌生物膜分散调节因子 RbdA 中磷酸二酯酶活性的控制

Cordery, Charlotte; Craddock, Jack; Malý, Martin; Basavaraja, Kieran; Webb, Jeremy S; Walsh, Martin A; Tews, Ivo

A community effort in SARS-CoV-2 drug discovery

社区在SARS-CoV-2药物研发方面的努力

Schimunek, Johannes; Seidl, Philipp; Elez, Katarina; Hempel, Tim; Le, Tuan; Noé, Frank; Olsson, Simon; Raich, Lluís; Winter, Robin; Gokcan, Hatice; Gusev, Filipp; Gutkin, Evgeny M; Isayev, Olexandr; Kurnikova, Maria G; Narangoda, Chamali H; Zubatyuk, Roman; Bosko, Ivan P; Furs, Konstantin V; Karpenko, Anna D; Kornoushenko, Yury V; Shuldau, Mikita; Yushkevich, Artsemi; Benabderrahmane, Mohammed B; Bousquet-Melou, Patrick; Bureau, Ronan; Charton, Beatrice; Cirou, Bertrand C; Gil, Gérard; Allen, William J; Sirimulla, Suman; Watowich, Stanley; Antonopoulos, Nick; Epitropakis, Nikolaos; Krasoulis, Agamemnon; Itsikalis, Vassilis; Theodorakis, Stavros; Kozlovskii, Igor; Maliutin, Anton; Medvedev, Alexander; Popov, Petr; Zaretckii, Mark; Eghbal-Zadeh, Hamid; Halmich, Christina; Hochreiter, Sepp; Mayr, Andreas; Ruch, Peter; Widrich, Michael; Berenger, Francois; Kumar, Ashutosh; Yamanishi, Yoshihiro; Zhang, Kam Y J; Bengio, Emmanuel; Bengio, Yoshua; Jain, Moksh J; Korablyov, Maksym; Liu, Cheng-Hao; Marcou, Gilles; Glaab, Enrico; Barnsley, Kelly; Iyengar, Suhasini M; Ondrechen, Mary Jo; Haupt, V Joachim; Kaiser, Florian; Schroeder, Michael; Pugliese, Luisa; Albani, Simone; Athanasiou, Christina; Beccari, Andrea; Carloni, Paolo; D'Arrigo, Giulia; Gianquinto, Eleonora; Goßen, Jonas; Hanke, Anton; Joseph, Benjamin P; Kokh, Daria B; Kovachka, Sandra; Manelfi, Candida; Mukherjee, Goutam; Muñiz-Chicharro, Abraham; Musiani, Francesco; Nunes-Alves, Ariane; Paiardi, Giulia; Rossetti, Giulia; Sadiq, S Kashif; Spyrakis, Francesca; Talarico, Carmine; Tsengenes, Alexandros; Wade, Rebecca C; Copeland, Conner; Gaiser, Jeremiah; Olson, Daniel R; Roy, Amitava; Venkatraman, Vishwesh; Wheeler, Travis J; Arthanari, Haribabu; Blaschitz, Klara; Cespugli, Marco; Durmaz, Vedat; Fackeldey, Konstantin; Fischer, Patrick D; Gorgulla, Christoph; Gruber, Christian; Gruber, Karl; Hetmann, Michael; Kinney, Jamie E; Padmanabha Das, Krishna M; Pandita, Shreya; Singh, Amit; Steinkellner, Georg; Tesseyre, Guilhem; Wagner, Gerhard; Wang, Zi-Fu; Yust, Ryan J; Druzhilovskiy, Dmitry S; Filimonov, Dmitry A; Pogodin, Pavel V; Poroikov, Vladimir; Rudik, Anastassia V; Stolbov, Leonid A; Veselovsky, Alexander V; De Rosa, Maria; De Simone, Giada; Gulotta, Maria R; Lombino, Jessica; Mekni, Nedra; Perricone, Ugo; Casini, Arturo; Embree, Amanda; Gordon, D Benjamin; Lei, David; Pratt, Katelin; Voigt, Christopher A; Chen, Kuang-Yu; Jacob, Yves; Krischuns, Tim; Lafaye, Pierre; Zettor, Agnès; Rodríguez, M Luis; White, Kris M; Fearon, Daren; Von Delft, Frank; Walsh, Martin A; Horvath, Dragos; Brooks, Charles L 3rd; Falsafi, Babak; Ford, Bryan; García-Sastre, Adolfo; Yup Lee, Sang; Naffakh, Nadia; Varnek, Alexandre; Klambauer, Günter; Hermans, Thomas M

Accelerating drug target inhibitor discovery with a deep generative foundation model.

利用深度生成式基础模型加速药物靶点抑制剂的发现

Chenthamarakshan Vijil, Hoffman Samuel C, Owen C David, Lukacik Petra, Strain-Damerell Claire, Fearon Daren, Malla Tika R, Tumber Anthony, Schofield Christopher J, Duyvesteyn Helen M E, Dejnirattisai Wanwisa, Carrique Loic, Walter Thomas S, Screaton Gavin R, Matviiuk Tetiana, Mojsilovic Aleksandra, Crain Jason, Walsh Martin A, Stuart David I, Das Payel

Mass spectrometric assays monitoring the deubiquitinase activity of the SARS-CoV-2 papain-like protease inform on the basis of substrate selectivity and have utility for substrate identification

利用质谱分析监测SARS-CoV-2木瓜蛋白酶样蛋白酶的去泛素化酶活性,可以根据底物选择性提供信息,并可用于底物鉴定。

Brewitz, Lennart; Henry Chan, H T; Lukacik, Petra; Strain-Damerell, Claire; Walsh, Martin A; Duarte, Fernanda; Schofield, Christopher J

xia2.multiplex: a multi-crystal data-analysis pipeline

xia2.multiplex:多晶体数据分析流程

Gildea, Richard J; Beilsten-Edmands, James; Axford, Danny; Horrell, Sam; Aller, Pierre; Sandy, James; Sanchez-Weatherby, Juan; Owen, C David; Lukacik, Petra; Strain-Damerell, Claire; Owen, Robin L; Walsh, Martin A; Winter, Graeme

Mass Spectrometric Assays Reveal Discrepancies in Inhibition Profiles for the SARS-CoV-2 Papain-Like Protease

质谱分析揭示了SARS-CoV-2木瓜蛋白酶样蛋白酶抑制谱的差异

Brewitz, Lennart; Kamps, Jos J A G; Lukacik, Petra; Strain-Damerell, Claire; Zhao, Yilin; Tumber, Anthony; Malla, Tika R; Orville, Allen M; Walsh, Martin A; Schofield, Christopher J

Fucosidases from the human gut symbiont Ruminococcus gnavus

来自人类肠道共生菌格氏瘤胃球菌的岩藻糖苷酶

Wu, Haiyang; Rebello, Osmond; Crost, Emmanuelle H; Owen, C David; Walpole, Samuel; Bennati-Granier, Chloe; Ndeh, Didier; Monaco, Serena; Hicks, Thomas; Colvile, Anna; Urbanowicz, Paulina A; Walsh, Martin A; Angulo, Jesus; Spencer, Daniel I R; Juge, Nathalie

Single Cell Cryo-Soft X-ray Tomography Shows That Each Chlamydia Trachomatis Inclusion Is a Unique Community of Bacteria

单细胞冷冻软X射线断层扫描显示,每个沙眼衣原体包涵体都是一个独特的细菌群落。

Phillips, Patrick; Parkhurst, James M; Kounatidis, Ilias; Okolo, Chidinma; Fish, Thomas M; Naismith, James H; Walsh, Martin A; Harkiolaki, Maria; Dumoux, Maud