换一批
换一批Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
作者：
Serdar,Durdagi [1]
;
Çağdaş,Dağ [2]
;
Berna,Dogan [3]
;
Merve,Yigin [2]
;
Timucin,Avsar [4]
;
Cengizhan,Buyukdag [2]
;
Ismail,Erol [5]
;
Fatma Betul,Ertem [2]
;
Seyma,Calis [6]
;
Gunseli,Yildirim [2]
;
Muge D,Orhan [4]
;
Omur,Guven [2]
;
Busecan,Aksoydan [7]
;
Ebru,Destan [2]
;
Kader,Sahin [3]
;
Sabri O,Besler [2]
;
Lalehan,Oktay [3]
;
Alaleh,Shafiei [2]
;
Ilayda,Tolu [3]
;
Esra,Ayan [2]
;
Busra,Yuksel [2]
;
Ayse B,Peksen [2]
;
Oktay,Gocenler [2]
;
Ali D,Yucel [2]
;
Ozgur,Can [2]
;
Serena,Ozabrahamyan [2]
;
Alpsu,Olkan [8]
;
Ece,Erdemoglu [9]
;
Fulya,Aksit [2]
;
Gokhan,Tanisali [2]
;
Oleksandr M,Yefanov [10]
;
Anton,Barty [10]
;
Alexandra,Tolstikova [10]
;
Gihan K,Ketawala [11]
;
Sabine,Botha [11]
;
E Han,Dao [12]
;
Brandon,Hayes [13]
;
Mengning,Liang [13]
;
Matthew H,Seaberg [13]
;
Mark S,Hunter [13]
;
Alex,Batyuk [13]
;
Valerio,Mariani [13]
;
Zhen,Su [14]
;
Frederic,Poitevin [13]
;
Chun Hong,Yoon [13]
;
Christopher,Kupitz [13]
;
Raymond G,Sierra [13]
;
Edward H,Snell [15]
;
Hasan,DeMirci [16]
作者单位：
Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahcesehir University, Istanbul 34734, Turkey. Electronic address: serdar.durdagi@bahcesehir.edu.tr.
[1]
Department of Molecular Biology and Genetics, Koc University, Istanbul 34450, Turkey.
[2]
Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahcesehir University, Istanbul 34734, Turkey.
[3]
Department of Medical Biology, School of Medicine, Bahcesehir University, Istanbul 34734, Turkey.
[4]
Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahcesehir University, Istanbul 34734, Turkey; Department of Chemistry, Gebze Technical University, Kocaeli 41400, Turkey.
[5]
Department of Medical Biology, School of Medicine, Bahcesehir University, Istanbul 34734, Turkey; Department of Molecular Biology - Genetics and Biotechnology, Istanbul Technical University, Istanbul 34469, Turkey.
[6]
Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahcesehir University, Istanbul 34734, Turkey; Neuroscience Program, Graduate School of Health Sciences, Bahcesehir University, Istanbul 34734, Turkey.
[7]
Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahcesehir University, Istanbul 34734, Turkey; School of Medicine, Bahcesehir University, Istanbul 34734, Turkey.
[8]
Computational Biology and Molecular Simulations Laboratory, Department of Biophysics, School of Medicine, Bahcesehir University, Istanbul 34734, Turkey; Faculty of Medicine, Mersin University, Mersin 33070, Turkey.
[9]
Deutsches Elektronen-Synchrotron, Notkestrasse 85, Hamburg 22607, Germany.
[10]
Department of Physics, Arizona State University, Tempe, AZ 85287-1504, USA; Biodesign Center for Applied Structural Discovery, Arizona State University, Tempe, AZ 85287-5001, USA.
[11]
Stanford PULSE Institute, SLAC National Laboratory, Menlo Park, CA 94025, USA.
[12]
Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA.
[13]
Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA; Department of Applied Physics, Stanford University, Stanford, CA, USA.
[14]
Hauptman-Woodward Medical Research Institute, University at Buffalo, 700 Ellicott St, Buffalo, NY, USA; Materials Design and Innovation, SUNY at Buffalo, 700 Ellicott St., Buffalo, NY, USA.
[15]
Department of Molecular Biology and Genetics, Koc University, Istanbul 34450, Turkey; Stanford PULSE Institute, SLAC National Laboratory, Menlo Park, CA 94025, USA; Koc University Isbank Center for Infectious Diseases (KUISCID), 34450, Istanbul, Turkey. Electronic address: hdemirci@ku.edu.tr.
[16]
主题词
催化域(Catalytic Domain);计算机模拟(Computer Simulation);结晶学, X线(Crystallography, X-Ray);二聚作用(Dimerization);药物设计(Drug Design);药物重新定位(Drug Repositioning);分子构象(Molecular Conformation);主成分分析(Principal Component Analysis);蛋白质构象(Protein Conformation);重组蛋白质类(Recombinant Proteins);温度(Temperature)
DOI
10.1016/j.str.2021.07.007
PMID
34403647
发布时间
2023-03-28
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Structure (London, England
Structure (London, England
1382-1396.e6页
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