7K4I

Human Arginase 1 in complex with compound 06.

7K4I の概要

• エントリーDOI: 10.2210/pdb7k4i/pdb
• 分子名称: Arginase-1, MANGANESE (II) ION, 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, ... (4 entities in total)
• 機能のキーワード: arginase, hydrolase, arginine, urea cycle, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 210911.20

構造登録者

Palte, R.L. (登録日: 2020-09-15, 公開日: 2021-10-06, 最終更新日: 2023-10-18)

主引用文献

Li, D.,Zhang, H.,Lyons, T.W.,Lu, M.,Achab, A.,Pu, Q.,Childers, M.,Mitcheltree, M.J.,Wang, J.,Martinot, T.A.,McMinn, S.E.,Sloman, D.L.,Palani, A.,Beard, A.,Nogle, L.,Gathiaka, S.,Sauri, J.,Kim, H.Y.,Adpressa, D.,Spacciapoli, P.,Miller, J.R.,Palte, R.L.,Lesburg, C.A.,Cumming, J.,Fischer, C.
Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12:1678-1688, 2021

PubMed Abstract: Comprehensive synthetic strategies afforded a diverse set of structurally unique bicyclic proline-containing arginase inhibitors with a high degree of three-dimensionality. The analogs that favored the Cγ-exo conformation of the proline improved the arginase potency over the initial lead. The novel synthetic strategies reported here not only enable access to previously unknown stereochemically complex proline derivatives but also provide a foundation for the future synthesis of bicyclic proline analogs, which incorporate inherent three-dimensional character into building blocks, medicine, and catalysts and could have a profound impact on the conformation of proline-containing peptides and macrocycles.

PubMed: 34795856
DOI: 10.1021/acsmedchemlett.1c00258

実験手法

X-RAY DIFFRACTION (1.98 Å)