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Studies of (−)-Pironetin Binding to α-Tubulin: Conformation, Docking, and Molecular Dynamics
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(199604)17:5/6<490::aid-jcc1>3.0.co;2-popenalex-snapshot
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inferredcites →https://doi.org/10.1002/(sici)1096-987x(199604)17:5/6<520::aid-jcc2>3.0.co;2-wopenalex-snapshot
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What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1016/j.phytochem.2021.112706zenodo-depositor-declared
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inferred← citeshttps://doi.org/10.1002/mrc.4178openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00894-016-3079-9openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s00894-017-3256-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s43450-022-00333-yopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jmb.2016.06.023openalex-snapshot
Pironetin Binds Covalently to αCys316 and Perturbs a Major Loop and Helix of α-Tubulin to Inhibit Microtubule Formation
inferred← citeshttps://doi.org/10.1016/j.molstruc.2020.128519openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.tcb.2018.05.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.biochem.5b00146openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jnatprod.5c00965openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jnatprod.6b00953openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jnatprod.8b00860openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jnatprod.8b00908openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/ncomms12103openalex-snapshot
Pironetin reacts covalently with cysteine-316 of α-tubulin to destabilize microtubule
inferred← citeshttps://doi.org/10.1038/s41580-021-00399-xopenalex-snapshot
Regulation of microtubule dynamics, mechanics and function through the growing tip
inferred← citeshttps://doi.org/10.2174/1389557520666200729162510openalex-snapshot
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