Fragment-based discovery of TopBP1 inhibitors integrated with AI-driven molecular dockingOA
Fragment-based discovery of TopBP1 inhibitors integrated with AI-driven molecular docking
Wenlong Chen;Song Zhang;Zihuan Li;Lei Wang;Jiahai Zhang;Jia Gao;Ke Ruan
The First Affiliated Hospital&School of Life Sciences,Ministry of Education Key Laboratory for Membrane-less Organelles&Cellular Dynamics,Hefei National Research Center for Interdisciplinary Sciences at the Microscale,Center for Advanced Interdisciplinary Science and Biomedicine of IHM,Division of Life Sciences and Medicine,University of Science and Technology of China,Hefei,230027,ChinaSchool of Network&Communication Engineering,Chengdu Technological University,Chengdu,611730,ChinaThe First Affiliated Hospital&School of Life Sciences,Ministry of Education Key Laboratory for Membrane-less Organelles&Cellular Dynamics,Hefei National Research Center for Interdisciplinary Sciences at the Microscale,Center for Advanced Interdisciplinary Science and Biomedicine of IHM,Division of Life Sciences and Medicine,University of Science and Technology of China,Hefei,230027,ChinaThe First Affiliated Hospital&School of Life Sciences,Ministry of Education Key Laboratory for Membrane-less Organelles&Cellular Dynamics,Hefei National Research Center for Interdisciplinary Sciences at the Microscale,Center for Advanced Interdisciplinary Science and Biomedicine of IHM,Division of Life Sciences and Medicine,University of Science and Technology of China,Hefei,230027,ChinaThe First Affiliated Hospital&School of Life Sciences,Ministry of Education Key Laboratory for Membrane-less Organelles&Cellular Dynamics,Hefei National Research Center for Interdisciplinary Sciences at the Microscale,Center for Advanced Interdisciplinary Science and Biomedicine of IHM,Division of Life Sciences and Medicine,University of Science and Technology of China,Hefei,230027,ChinaThe First Affiliated Hospital&School of Life Sciences,Ministry of Education Key Laboratory for Membrane-less Organelles&Cellular Dynamics,Hefei National Research Center for Interdisciplinary Sciences at the Microscale,Center for Advanced Interdisciplinary Science and Biomedicine of IHM,Division of Life Sciences and Medicine,University of Science and Technology of China,Hefei,230027,ChinaThe First Affiliated Hospital&School of Life Sciences,Ministry of Education Key Laboratory for Membrane-less Organelles&Cellular Dynamics,Hefei National Research Center for Interdisciplinary Sciences at the Microscale,Center for Advanced Interdisciplinary Science and Biomedicine of IHM,Division of Life Sciences and Medicine,University of Science and Technology of China,Hefei,230027,China
Fragment-based screeningDNA topoisomerase IIβ binding protein 1BRCT domainComplex structure
Fragment-based screeningDNA topoisomerase IIβ binding protein 1BRCT domainComplex structure
《磁共振快报（英文）》 2026 (2)
87-96,10
We thank the staff of the BL19U1 and BL02U1 beamline at the National Center for Protein Science Shanghai and Shanghai Synchrotron Radiation Facility for assistance during data collection.We thank the National Key R&D Program of China[2024YFA1306201],National Natural Science Foundation of China[22377119],Research Funds of Center for Advanced Interdisciplinary Science and Biomedicine of IHM[QYPY20220008],and USTC Research Funds of the Double First-Class Initiative[YD9100002028]for their financial support.
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