Water Networks Repopulate Protein–Ligand Interfaces with Temperature,Angewandte Chemie International Edition

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Water Networks Repopulate Protein–Ligand Interfaces with Temperature
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2022-06-01 , DOI: 10.1002/anie.202112919
Timothy R Stachowski ₁ , Murugendra Vanarotti ₁ , Jayaraman Seetharaman ₂ , Karlo Lopez ₃ , Marcus Fischer _{1,

2}

Affiliation

Cryo-cooled water molecules block protein motions that impact protein–ligand interactions. Paired cryo and room-temperature comparisons of ligand-bound Hsp90α structures show that water networks and protein conformations are more mobile at room temperature. Revealing such alternate conformational states that are masked by cryo-cooling provides new insights towards drug discovery.

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