7UU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uu6 by Molmil](/molmil-images/mine/7uu6) | |
7UU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uu8 by Molmil](/molmil-images/mine/7uu8) | |
7UU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uu7 by Molmil](/molmil-images/mine/7uu7) | |
7UU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uu9 by Molmil](/molmil-images/mine/7uu9) | |
8H3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h3d by Molmil](/molmil-images/mine/8h3d) | Structure of apo SARS-CoV-2 spike protein with one RBD up | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | Deposit date: | 2022-10-08 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein. Acs Cent.Sci., 9, 2023
|
|
8H3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h3e by Molmil](/molmil-images/mine/8h3e) | Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | Deposit date: | 2022-10-08 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein. Acs Cent.Sci., 9, 2023
|
|
8HEF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hef by Molmil](/molmil-images/mine/8hef) | The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | Authors: | Yan, M, Zhang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2. Antiviral Res., 213, 2023
|
|
8HEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hec by Molmil](/molmil-images/mine/8hec) | SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 2 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
|
|
8HED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hed by Molmil](/molmil-images/mine/8hed) | Local refinement of the SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
|
|
8HEB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8heb by Molmil](/molmil-images/mine/8heb) | SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 1 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023
|
|
8H08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h08 by Molmil](/molmil-images/mine/8h08) | |
8H07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h07 by Molmil](/molmil-images/mine/8h07) | |
7VND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vnd by Molmil](/molmil-images/mine/7vnd) | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UUD-state, state 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
|
|
7VNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vne by Molmil](/molmil-images/mine/7vne) | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113.1 (UUU-state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
|
|
7VNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vnb by Molmil](/molmil-images/mine/7vnb) | Crystal structure of the SARS-CoV-2 RBD in complex with a human single domain antibody n3113 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, n3113 | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
|
|
7VNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vnc by Molmil](/molmil-images/mine/7vnc) | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UDD-state, state 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
|
|
8SPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8spj by Molmil](/molmil-images/mine/8spj) | |
8SXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sxo by Molmil](/molmil-images/mine/8sxo) | |
8STY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sty by Molmil](/molmil-images/mine/8sty) | |
8STZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8stz by Molmil](/molmil-images/mine/8stz) | |
8SG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sg6 by Molmil](/molmil-images/mine/8sg6) | SARS-CoV-2 Main Protease (Mpro) H163A Mutant Reduced with 20mM TCEP | Descriptor: | 3C-like proteinase nsp5, GLYCEROL | Authors: | Tran, N, McLeod, M.J, Barwell, S, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T. | Deposit date: | 2023-04-11 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease. Nat Commun, 14, 2023
|
|
8S9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s9g by Molmil](/molmil-images/mine/8s9g) | SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ... | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-03-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neutralization, effector function and immune imprinting of Omicron variants. Nature, 621, 2023
|
|
8S9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s9z by Molmil](/molmil-images/mine/8s9z) | Mpro inhibitors of SARS-CoV-2 | Descriptor: | 3C-like proteinase nsp5, Mpro inhibitor | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-03-30 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution. To Be Published
|
|
8SWH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8swh by Molmil](/molmil-images/mine/8swh) | |
8JOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jop by Molmil](/molmil-images/mine/8jop) | Crystal structure of the SARS-CoV-2 main protease in complex with 11a | Descriptor: | 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate | Authors: | Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J. | Deposit date: | 2023-06-08 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease. Bioorg.Med.Chem.Lett., 92, 2023
|
|