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References from W254 in furin functions as a molecular gate promoting anti-viral drug binding: Elucidation of putative drug tunneling and docking by non-equilibrium molecular dynamics. Local targets link to admitted publications; unresolved targets remain external evidence.
Dichlorophenylpyridine-based molecules inhibit furin through an induced-fit mechanism
10.1021/acschembio.2c00103 · 2022 · External reference
10.1038/nrm934
10.1038/nrm934 · External reference
The endoproteinase furin contains two essential Ca2+ions stabilizing its N-terminus and the unique S1 specificity pocket
10.1107/s0907444905002556 · 2005 · External reference
Furin‐mediated protein processing in infectious diseases and cancer
10.1002/cti2.1073 · 2019 · External reference
10.1111/joim.12783
10.1111/joim.12783 · External reference
Association between circulating furin levels, obesity and pro‐inflammatory markers in children
10.1111/apa.15774 · 2021 · External reference
10.1016/j.atherosclerosis.2017.04.005
10.1016/j.atherosclerosis.2017.04.005 · External reference
Furin protease: from SARS CoV-2 to anthrax, diabetes, and hypertension
10.7812/tpp/20.187 · 2020 · External reference
10.1074/jbc.m005339200
10.1074/jbc.m005339200 · External reference
10.1080/22221751.2021.2014284
10.1080/22221751.2021.2014284 · External reference
10.1038/s41431-022-01108-8
10.1038/s41431-022-01108-8 · External reference
10.1038/s41579-022-00713-0
10.1038/s41579-022-00713-0 · External reference
Molecular mechanism of interaction between SARS-CoV-2 and host cells and interventional therapy
2021 · External reference
Furin and COVID-19: structure, function and chemoinformatic analysis of representative active site inhibitors
10.3389/fddsv.2022.899239 · 2022 · External reference
Chemical structure and properties of low-molecular furin inhibitors
10.15407/ubj88.06.005 · 2016 · External reference
Furin: a potential therapeutic target for COVID-19
10.1016/j.isci.2020.101642 · 2020 · External reference
10.1016/j.celrep.2020.108254
10.1016/j.celrep.2020.108254 · External reference
Inhibition of furin by polyarginine-containing peptides
10.1074/jbc.m400484200 · 2004 · External reference
The sequence at Spike S1/S2 site enables cleavage by furin and phospho-regulation in SARS-CoV2 but not in SARS-CoV1 or MERS-CoV
2020 · External reference
New furin inhibitors based on weakly basic amidinohydrazones
10.1016/j.bmcl.2010.11.092 · 2011 · External reference
Why all the fury over furin
10.1021/acs.jmedchem.1c00518 · 2021 · External reference
10.1021/cb500087x
10.1021/cb500087x · External reference
Role of angiotensin ii in cardiovascular diseases: introducing bisartans as a novel therapy for coronavirus 2019
10.3390/biom13050787 · 2023 · External reference
10.1016/j.csbj.2022.04.010 · Admitted local publication
10.3390/v14051029
10.3390/v14051029 · External reference
Molecular epidemiology of SARS-CoV-2: the dominant role of arginine in mutations and infectivity
10.3390/v15020309 · 2023 · External reference
TelmiSartan for treatment of Covid-19 patients: an open multicenter randomized clinical trial
10.1016/j.eclinm.2021.100962 · 2021 · External reference
10.1016/j.biopha.2020.110653
10.1016/j.biopha.2020.110653 · External reference
10.3390/ijms24098454
10.3390/ijms24098454 · External reference
10.1007/s00018-017-2742-3
10.1007/s00018-017-2742-3 · External reference
Distinctive roles of furin and TMPRSS2 in SARS-CoV-2 infectivity
2022 · External reference
10.1021/jacs.6b05425
10.1021/jacs.6b05425 · External reference
Opening of a cryptic pocket in β-lactamase increases penicillinase activity
10.1073/pnas.2106473118 · 2021 · External reference
Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network
10.1038/s41467-023-36699-3 · 2023 · External reference
How does a drug molecule find its target binding site
10.1021/ja202726y · 2011 · External reference
Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking
10.1371/journal.pone.0228461 · 2020 · External reference
Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: an open-source multi-person framework
10.1063/1.5092590 · 2019 · External reference
Interactive molecular dynamics: scaling up to large systems
10.1016/j.procs.2013.05.165 · 2013 · External reference
10.1016/s0006-3495(03)74452-x
10.1016/s0006-3495(03)74452-x · External reference
10.1093/bioinformatics/btu426
10.1093/bioinformatics/btu426 · External reference
Fast empirical pKa prediction by Ewald summation
10.1016/j.jmgm.2006.02.009 · 2006 · External reference
10.1007/978-1-61779-465-0_25
10.1007/978-1-61779-465-0_25 · External reference
10.1021/acs.jctc.5b00255
10.1021/acs.jctc.5b00255 · External reference
10.1002/jcc.20035
10.1002/jcc.20035 · External reference
10.1002/jcc.10128
10.1002/jcc.10128 · External reference
Revised TIPS for simulations of liquid water and aqueous solutions
10.1063/1.444325 · 1982 · External reference
10.1063/1.445869
10.1063/1.445869 · External reference
Comparison of multiple Amber force fields and development of improved protein backbone parameters
10.1002/prot.21123 · 2006 · External reference
10.1063/1.470117
10.1063/1.470117 · External reference
10.1002/jcc.23899
10.1002/jcc.23899 · External reference
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
2009 · External reference
10.1002/jcc.10349
10.1002/jcc.10349 · External reference
10.1002/(sici)1096-987x(19981115)19:14<1639::aid-jcc10>3.0.co;2-b
10.1002/(sici)1096-987x(19981115)19:14<1639::aid-jcc10>3.0.co;2-b · External reference
Increasing the precision of comparative models with YASARA NOVA-a self-parameterizing force field
10.1002/prot.10104 · 2002 · External reference
10.1002/jcc.21256
10.1002/jcc.21256 · External reference
10.1073/pnas.1015661107
10.1073/pnas.1015661107 · External reference
Pulling on single molecules
10.1038/nmeth.2149 · 2012 · External reference
Using the force to find the peptides you’re looking for
10.1073/pnas.1713970114 · 2017 · External reference
Breaking a dative bond with mechanical forces
2021 · External reference
Uncovering water effects in protein–ligand recognition: importance in the second hydration shell and binding kinetics
10.1039/d2cp04584b · 2023 · External reference
The impact of water molecules on binding affinity of the anti-diabetic thiazolidinediones for catalase: kinetic and mechanistic approaches
10.1016/j.abb.2019.02.002 · 2019 · External reference
10.1016/j.bpj.2014.12.035
10.1016/j.bpj.2014.12.035 · External reference
10.1016/s1074-5521(96)90164-7
10.1016/s1074-5521(96)90164-7 · External reference
Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand binding
10.1073/pnas.0610202104 · 2007 · External reference
Synthesis and contractile activities of cyclic thrombin receptor-derived peptide analogues with a Phe-Leu-Leu-Arg Motif: importance of the phe/arg relative conformation and the primary amino group for activity
10.1021/jm950690v · 1996 · External reference
