Selected article for: "close view and crystal structure"
Author: Wenhao Dai; Bing Zhang; Xia-Ming Jiang; Haixia Su; Jian Li; Yao Zhao; Xiong Xie; Zhenming Jin; Jingjing Peng; Fengjiang Liu; Chunpu Li; You Li; Fang Bai; Haofeng Wang; Xi Cheng; Xiaobo Cen; Shulei Hu; Xiuna Yang; Jiang Wang; Xiang Liu; Gengfu Xiao; Hualiang Jiang; Zihe Rao; Leike Zhang; Yechun Xu; Haitao Yang; Hong Liu
Title: Structure-Based Design, Synthesis and Biological Evaluation of Peptidomimetic Aldehydes as a Novel Series of Antiviral Drug Candidates Targeting the SARS-CoV-2 Main Protease
  • Document date: 2020_3_28
    • ID: b4joa5tx_20
    Snippet: A. Cartoon representation of the crystal structure of M pro in complex with 11a. The compound 11a is shown as brown sticks in the substrate-binding pocket located between domain I and II of SARS-CoV-2 M pro . Water molecules involve in stabilizing the 11a shown as spheres colored red. B. Close-up view of the 11a binding site. The binding pocket is divided into four subsites (S1', S1, S2 and S4). The residues involving in inhibitor binding are sho.....
    Document: A. Cartoon representation of the crystal structure of M pro in complex with 11a. The compound 11a is shown as brown sticks in the substrate-binding pocket located between domain I and II of SARS-CoV-2 M pro . Water molecules involve in stabilizing the 11a shown as spheres colored red. B. Close-up view of the 11a binding site. The binding pocket is divided into four subsites (S1', S1, S2 and S4). The residues involving in inhibitor binding are shown as green sticks. 11a and water molecules are shown as brown sticks and red spheres, respectively. Hydrogen bonds are indicated as dashed lines. C. Comparison of the binding model of 11a and 11b in SARS-CoV-2 M pro . The major differences between 11a and 11b are marked with dashed circles. The compounds of 11a and 11b are shown as brown and green sticks, respectively. D. Close-up view of the 11b binding site. Hydrogen bonds are indicated as dashed lines.

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