A New Crystal Form of the SARS-CoV-2 Receptor Binding Domain: CR3022 Complex-An Ideal Target for In-Crystal Fragment Screening of the ACE2 Binding Site Surface
In-crystal fragment screening is a powerful tool to chemically probe the surfaces used by proteins to interact, and identify the chemical space worth exploring to design protein-protein inhibitors. A crucial prerequisite is the identification of a crystal form where the target area is exposed and ac...
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| Main Authors: | , , , , |
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| Format: | Book |
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Frontiers Media S.A.,
2020-12-01T00:00:00Z.
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|---|---|---|---|
| 001 | doaj_f3f8d14917424d07b7fb373f11ffd0b0 | ||
| 042 | |a dc | ||
| 100 | 1 | 0 | |a Charlie Nichols |e author |
| 700 | 1 | 0 | |a Charlie Nichols |e author |
| 700 | 1 | 0 | |a Joseph Ng |e author |
| 700 | 1 | 0 | |a Annika Keshu |e author |
| 700 | 1 | 0 | |a Franca Fraternali |e author |
| 700 | 1 | 0 | |a Gian F. De Nicola |e author |
| 700 | 1 | 0 | |a Gian F. De Nicola |e author |
| 245 | 0 | 0 | |a A New Crystal Form of the SARS-CoV-2 Receptor Binding Domain: CR3022 Complex-An Ideal Target for In-Crystal Fragment Screening of the ACE2 Binding Site Surface |
| 260 | |b Frontiers Media S.A., |c 2020-12-01T00:00:00Z. | ||
| 500 | |a 1663-9812 | ||
| 500 | |a 10.3389/fphar.2020.615211 | ||
| 520 | |a In-crystal fragment screening is a powerful tool to chemically probe the surfaces used by proteins to interact, and identify the chemical space worth exploring to design protein-protein inhibitors. A crucial prerequisite is the identification of a crystal form where the target area is exposed and accessible to be probed by fragments. Here we report a crystal form of the SARS-CoV-2 Receptor Binding Domain in complex with the CR3022 antibody where the ACE2 binding site on the Receptor Binding Domain is exposed and accessible. This crystal form of the complex is a valuable tool to develop antiviral molecules that could act by blocking the virus entry in cells. | ||
| 546 | |a EN | ||
| 690 | |a in-crystal fragment screening | ||
| 690 | |a CR3022 | ||
| 690 | |a drug discovery | ||
| 690 | |a PPI inhibitors | ||
| 690 | |a SARC-CoV-2-RBD | ||
| 690 | |a Therapeutics. Pharmacology | ||
| 690 | |a RM1-950 | ||
| 655 | 7 | |a article |2 local | |
| 786 | 0 | |n Frontiers in Pharmacology, Vol 11 (2020) | |
| 787 | 0 | |n https://www.frontiersin.org/articles/10.3389/fphar.2020.615211/full | |
| 787 | 0 | |n https://doaj.org/toc/1663-9812 | |
| 856 | 4 | 1 | |u https://doaj.org/article/f3f8d14917424d07b7fb373f11ffd0b0 |z Connect to this object online. |