7VXY
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![BU of 7vxy by Molmil](/molmil-images/mine/7vxy) | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR | Descriptor: | Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | Deposit date: | 2021-11-13 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease. Bioorg.Chem., 128, 2022
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7X6K
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![BU of 7x6k by Molmil](/molmil-images/mine/7x6k) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3w | Descriptor: | 1H-indole-2-carbaldehyde, 3C-like proteinase | Authors: | Su, H, Nie, T, Xie, H, Li, Z.W, Li, M.J, Xu, Y. | Deposit date: | 2022-03-07 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination. J.Med.Chem., 65, 2022
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7X6J
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![BU of 7x6j by Molmil](/molmil-images/mine/7x6j) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3af | Descriptor: | 3C-like proteinase, quinoline-2-carboxylic acid | Authors: | Su, H, Nie, T, Xie, H, Li, Z.W, Li, M.J, Xu, Y. | Deposit date: | 2022-03-07 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination. J.Med.Chem., 65, 2022
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8GTW
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![BU of 8gtw by Molmil](/molmil-images/mine/8gtw) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-26 | Descriptor: | (2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide, 3C-like proteinase | Authors: | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of novel inhibitors against SARS-CoV-2 3CLpro To Be Published
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8GTV
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![BU of 8gtv by Molmil](/molmil-images/mine/8gtv) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-07 | Descriptor: | 3C-like proteinase, 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one | Authors: | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of novel inhibitors against SARS-CoV-2 3CLpro To Be Published
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7V3R
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![BU of 7v3r by Molmil](/molmil-images/mine/7v3r) | Crystal structure of CMET in complex with a novel inhibitor | Descriptor: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | Deposit date: | 2021-08-11 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase J.Med.Chem., 66, 2023
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7V3S
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![BU of 7v3s by Molmil](/molmil-images/mine/7v3s) | Crystal structure of CMET in complex with a novel inhibitor | Descriptor: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | Deposit date: | 2021-08-11 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase J.Med.Chem., 66, 2023
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7FCZ
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![BU of 7fcz by Molmil](/molmil-images/mine/7fcz) | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
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![BU of 7fd0 by Molmil](/molmil-images/mine/7fd0) | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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