8E5N

Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 10

Summary for 8E5N

• Entry DOI: 10.2210/pdb8e5n/pdb
• Descriptor: Arginase-1, MANGANESE (II) ION, 1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, ... (4 entities in total)
• Functional Keywords: arginase, arginine metabolism, urea cycle, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 6
• Total formula weight: 212570.97

Authors

Palte, R.L.,Gathiaka, S. (deposition date: 2022-08-22, release date: 2023-03-08, Last modification date: 2023-10-25)

• Primary citation: 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.; Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods.; Bioorg.Med.Chem.Lett., 84:129193-129193, 2023; PubMed: 36822300; DOI: 10.1016/j.bmcl.2023.129193

Experimental method

X-RAY DIFFRACTION (2.538 Å)