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-Structure paper
Title | Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods. |
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Journal, issue, pages | Bioorg. Med. Chem. Lett., Vol. 84, Page 129193-129193, Year 2023 |
Publish date | Aug 22, 2022 (structure data deposition date) |
Authors | Gathiaka, S. / Palte, R.L. / So, S.S. / Chai, X. / Richard Miller, J. / Kuvelkar, R. / Wen, X. / Cifelli, S. / Kreamer, A. / Liaw, A. ...Gathiaka, S. / Palte, R.L. / So, S.S. / Chai, X. / Richard Miller, J. / Kuvelkar, R. / Wen, X. / Cifelli, S. / Kreamer, A. / Liaw, A. / McLaren, D.G. / Fischer, C. |
External links | Bioorg. Med. Chem. Lett. / PubMed:36822300 |
Methods | X-ray diffraction |
Resolution | 1.84 - 2.538 Å |
Structure data | PDB-8e5m: PDB-8e5n: |
Chemicals | ChemComp-MN: ChemComp-UKR: ChemComp-HOH: ChemComp-UL0: |
Source |
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Keywords | HYDROLASE/INHIBITOR / Arginase / hydrolase / urea cycle / metabolism / HYDROLASE-INHIBITOR complex / arginine metabolism |