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Title | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template. |
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Journal, issue, pages | J. Med. Chem., Vol. 65, Page 6157-6170, Year 2022 |
Publish date | Dec 17, 2021 (structure data deposition date) |
![]() | Kojima, E. / Iimuro, A. / Nakajima, M. / Kinuta, H. / Asada, N. / Sako, Y. / Nakata, Z. / Uemura, K. / Arita, S. / Miki, S. ...Kojima, E. / Iimuro, A. / Nakajima, M. / Kinuta, H. / Asada, N. / Sako, Y. / Nakata, Z. / Uemura, K. / Arita, S. / Miki, S. / Wakasa-Morimoto, C. / Tachibana, Y. |
![]() | ![]() ![]() |
Methods | X-ray diffraction |
Resolution | 1.85 - 2.011 Å |
Structure data | ![]() PDB-7wbs: ![]() PDB-7wcq: |
Chemicals | ![]() ChemComp-GOL: ![]() ChemComp-8LT: ![]() ChemComp-HOH: ![]() ChemComp-8OC: |
Source |
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![]() | HYDROLASE/INHIBITOR / HYDROLASE-Inhibitor complex |