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CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.

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第一作者: Fengling,Li
第一单位: Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.
作者: Fengling,Li [1] ; Suzanne,Ackloo [1] ; Cheryl H,Arrowsmith [2] ; Fuqiang,Ban [3] ; Christopher J,Barden [4] ; Hartmut,Beck [5] ; Jan,Beránek [6] ; Francois,Berenger [7] ; Albina,Bolotokova [1] ; Guillaume,Bret [8] ; Marko,Breznik [9] ; Emanuele,Carosati [10] ; Irene,Chau [1] ; Yu,Chen [9] ; Artem,Cherkasov [3] ; Dennis Della,Corte [11] ; Katrin,Denzinger [9] ; Aiping,Dong [1] ; Sorin,Draga [12] ; Ian,Dunn [13] ; Kristina,Edfeldt [14] ; Aled,Edwards [15] ; Merveille,Eguida [8] ; Paul,Eisenhuth [16] ; Lukas,Friedrich [17] ; Alexander,Fuerll [18] ; Spencer S,Gardiner [11] ; Francesco,Gentile [19] ; Pegah,Ghiabi [1] ; Elisa,Gibson [1] ; Marta,Glavatskikh [20] ; Christoph,Gorgulla [21] ; Judith,Guenther [22] ; Anders,Gunnarsson [23] ; Filipp,Gusev [24] ; Evgeny,Gutkin [25] ; Levon,Halabelian [26] ; Rachel J,Harding [27] ; Alexander,Hillisch [28] ; Laurent,Hoffer [29] ; Anders,Hogner [30] ; Scott,Houliston [31] ; John J,Irwin [32] ; Olexandr,Isayev [24] ; Aleksandra,Ivanova [33] ; Celien,Jacquemard [8] ; Austin J,Jarrett [11] ; Jan H,Jensen [34] ; Dmitri,Kireev [35] ; Julian,Kleber [9] ; S Benjamin,Koby [25] ; David,Koes [13] ; Ashutosh,Kumar [36] ; Maria G,Kurnikova [25] ; Alina,Kutlushina [33] ; Uta,Lessel [37] ; Fabian,Liessmann [18] ; Sijie,Liu [9] ; Wei,Lu [38] ; Jens,Meiler [39] ; Akhila,Mettu [35] ; Guzel,Minibaeva [33] ; Rocco,Moretti [40] ; Connor J,Morris [11] ; Chamali,Narangoda [25] ; Theresa,Noonan [9] ; Leon,Obendorf [9] ; Szymon,Pach [9] ; Amit,Pandit [9] ; Sumera,Perveen [1] ; Gennady,Poda [41] ; Pavel,Polishchuk [33] ; Kristina,Puls [9] ; Vera,Pütter [42] ; Didier,Rognan [8] ; Dylan,Roskams-Edris [43] ; Christina,Schindler [17] ; François,Sindt [8] ; Vojtěch,Spiwok [6] ; Casper,Steinmann [44] ; Rick L,Stevens [45] ; Valerij,Talagayev [9] ; Damon,Tingey [11] ; Oanh,Vu [40] ; W Patrick,Walters [46] ; Xiaowen,Wang [35] ; Zhenyu,Wang [47] ; Gerhard,Wolber [9] ; Clemens Alexander,Wolf [9] ; Lars,Wortmann [37] ; Hong,Zeng [1] ; Carlos A,Zepeda [48] ; Kam Y J,Zhang [36] ; Jixian,Zhang [38] ; Shuangjia,Zheng [49] ; Matthieu,Schapira [26]
作者单位: Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada. [1] Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Medical Biophysics, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada. [2] Vancouver Prostate Centre, University of British Columbia, 2660 Oak Street, Vancouver, British Columbia V6H 3Z6, Canada. [3] Treventis Corporation, Toronto, Ontario M5T 0S8, Canada.;University Health Network, Toronto, Ontario M5G 2C4, Canada. [4] Bayer AG, Drug Discovery Sciences, 42096 Wuppertal, Germany. [5] Department of Biochemistry and Microbiology, University of Chemistry and Technology, Technická 5, 16628 Prague Czech Republic. [6] Graduate School of Frontier Sciences, The University of Tokyo, 5-1-5 Kashiwa-no-ha, Kashiwa, Chiba 277-8561, Japan. [7] Laboratoire d'innovation thérapeutique, UMR7200 CNRS-Université de Strasbourg, F-67400 Illkirch, France. [8] Computational Molecular Design, Institute of Pharmacy, Freie Universitaet Berlin, Koenigin-Luisestr. 2 + 4, 14195 Berlin, Germany. [9] Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste, Italy. [10] Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84602, United States. [11] Virtual Discovery, Inc., Boston, Massachusetts 02108, United States.;Non-Governmental Research Organization Biologic, 14 Schitului Street, Bucharest 032044, Romania. [12] Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States. [13] Structural Genomics Consortium, Department of Medicine, Karolinska University Hospital and Karolinska Institutet, 171 76 Stockholm, Sweden. [14] Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Conscience Medicines Network, Toronto, Ontario M5G 1L7 Canada. [15] Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany.;Center for Scalable Data Analytics and Artificial Intelligence, Leipzig University, Leipzig, Saxony 04105, Germany. [16] Computational Drug Design, Merck KGaA, 64293 Darmstadt Germany. [17] Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany. [18] Vancouver Prostate Centre, University of British Columbia, 2660 Oak Street, Vancouver, British Columbia V6H 3Z6, Canada.;Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada.;Ottawa Institute of Systems Biology, University of Ottawa, K1H 8M5 Ottawa, Ontario Canada. [19] University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States. [20] St. Jude Children's Research Hospital, Memphis, Tennessee 38105, United States.;Department of Physics, Harvard University, Cambridge, Massachusetts 02138, United States. [21] Bayer AG, Drug Discovery Sciences, 13353 Berlin, Germany. [22] Structure and Biophysics, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, Mölndal 431 50, Sweden. [23] Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.;Computational Biology Department, School of Computer Science, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States. [24] Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States. [25] Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario, M5S 1A8, Canada. [26] Structural Genomics Consortium, University of Toronto, Toronto, Ontario M5G 1L7, Canada.;Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada.;Department of Pharmacology & Toxicology, University of Toronto, Toronto, Ontario, M5S 1A8, Canada. [27] UCB BioSciences GmbH, 40789 Monheim am Rhein, Germany. [28] Drug Discovery, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada. [29] Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, 431 50 Gothenburg Sweden. [30] Princess Margaret Cancer Centre, University Health Network, Toronto, Ontario M5G 2C4, Canada. [31] Department of Pharmaceutical Chemistry, University of California, San Francisco, California 94158, United States. [32] Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry, Palacky University in Olomouc, Hnevotinska 5, 77900 Olomouc Czech Republic. [33] Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen, Denmark. [34] Department of Chemistry, University of Missouri, Columbia, Missouri 65211-7600, United States. [35] Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045, Japan. [36] Boehringer Ingelheim Pharma GmbH & Co. KG, 88400 Biberach an der Riss, Germany. [37] Galixir Technologies, 200100 Shanghai, China. [38] Institute for Drug Discovery, Medical Faculty, Leipzig University, Leipzig, Saxony 04103, Germany.;Center for Scalable Data Analytics and Artificial Intelligence, Leipzig University, Leipzig, Saxony 04105, Germany.;Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States. [39] Center for Structural Biology, Vanderbilt University, Nashville, Tennessee 37235, United States. [40] Drug Discovery, Ontario Institute for Cancer Research, Toronto, Ontario M5G 0A3, Canada.;Leslie Dan Faculty of Pharmacy, University of Toronto, Toronto, Ontario M5S 3M2, Canada. [41] Nuvisan ICB GmBH, 89231 Neu-Ulm, Germany. [42] Conscience Medicines Network, Toronto, Ontario M5G 1L7 Canada. [43] Department of Chemistry and Bioscience, Aalborg University, Fredrik Bajers Vej 7H, 9220, Aalborg, Denmark. [44] Department of Computer Science, University of Chicago, Chicago, Illinois 60637, United States.;Argonne National Laboratory, Lemont, Illinois 60439, United States. [45] Relay Therapeutics, Cambridge, Massachusetts 02141, United States. [46] Galixir Technologies, 200100 Shanghai, China.;Global Institute of Future Technology, Shanghai Jiao Tong University, 200240 Shanghai, China. [47] Treventis Corporation, Toronto, Ontario M5T 0S8, Canada. [48] Global Institute of Future Technology, Shanghai Jiao Tong University, 200240 Shanghai, China. [49]
DOI 10.1021/acs.jcim.4c01267
PMID 39499532
发布时间 2024-11-25
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