7CAM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cam by Molmil](/molmil-images/mine/7cam) | SARS-CoV-2 main protease (Mpro) apo structure (space group P212121) | Descriptor: | 3C-like proteinase | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y. | Deposit date: | 2020-06-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug. Am J Cancer Res, 10, 2020
|
|
7CB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cb7 by Molmil](/molmil-images/mine/7cb7) | 1.7A resolution structure of SARS-CoV-2 main protease (Mpro) in complex with broad-spectrum coronavirus protease inhibitor GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y, Hung, M.C. | Deposit date: | 2020-06-10 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug. Am J Cancer Res, 10, 2020
|
|
7WQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wqa by Molmil](/molmil-images/mine/7wqa) | SARS-CoV-2 main protease in complex with Z-VAD-FMK | Descriptor: | 3C-like proteinase, Z-VAD(OMe)-FMK | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-03-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SARS-CoV-2 main protease in complex with Z-VAD-FMK To Be Published
|
|
7WQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wq9 by Molmil](/molmil-images/mine/7wq9) | Crystal structure of SARS-CoV-2 main protease in complex with Z-IETD-FMK | Descriptor: | 3C-like proteinase, Z-IETD-FMK | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with Z-IETD-FMK To Be Published
|
|
7WQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wq8 by Molmil](/molmil-images/mine/7wq8) | Crystal structure of SARS-CoV-2 main protease in complex with Z-DEVD-FMK | Descriptor: | 3C-like proteinase, Z-DEVD-FMK | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-24 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with Z-DEVD-FMK To Be Published
|
|
7WQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wqb by Molmil](/molmil-images/mine/7wqb) | SARS-CoV-2 main protease mutant (P168A) in complex with MG-132 | Descriptor: | 3C-like proteinase nsp5, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | SARS-CoV-2 main protease mutant (P168A) in complex with MG-132 To Be Published
|
|
7WQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wqk by Molmil](/molmil-images/mine/7wqk) | wild-type SARS-CoV-2 main protease in complex with MG-132 | Descriptor: | 3C-like proteinase, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y. | Deposit date: | 2022-01-25 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | wild-type SARS-CoV-2 main protease in complex with MG-132 To Be Published
|
|
5HTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5htl by Molmil](/molmil-images/mine/5htl) | Structure of MshE with cdg | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MSHA biogenesis protein MshE | Authors: | Chin, K.H, Wang, Y.C. | Deposit date: | 2016-01-27 | Release date: | 2016-10-05 | Last modified: | 2016-10-12 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | Nucleotide binding by the widespread high-affinity cyclic di-GMP receptor MshEN domain. Nat Commun, 7, 2016
|
|
4KGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kgb by Molmil](/molmil-images/mine/4kgb) | |
7XJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xjw by Molmil](/molmil-images/mine/7xjw) | Crystal structure of canine coronavirus main protease in complex with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ORF1a polyprotein | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chiu, Y.F, Chen, Y. | Deposit date: | 2022-04-18 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A Structural Comparison of SARS-CoV-2 Main Protease and Animal Coronaviral Main Protease Reveals Species-Specific Ligand Binding and Dimerization Mechanism. Int J Mol Sci, 23, 2022
|
|
7DDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ddc by Molmil](/molmil-images/mine/7ddc) | Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine | Descriptor: | 3C-like proteinase, Tafenoquine | Authors: | Chen, Y, Wang, Y.C, Yang, C.S, Hung, M.C. | Deposit date: | 2020-10-28 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.175 Å) | Cite: | Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2. J.Biol.Chem., 298, 2022
|
|
7DD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dd0 by Molmil](/molmil-images/mine/7dd0) | |
7YA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ya2 by Molmil](/molmil-images/mine/7ya2) | |
7X4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x4c by Molmil](/molmil-images/mine/7x4c) | Native CD-NTase EfCdnE | Descriptor: | EfCdnE, L(+)-TARTARIC ACID | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-02 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
|
|
7X4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x4p by Molmil](/molmil-images/mine/7x4p) | CD-NTase EfCdnE in complex with intermediate pppUpU | Descriptor: | EfCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, ... | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
|
|
7X4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x4a by Molmil](/molmil-images/mine/7x4a) | Native CD-NTase ClCdnE | Descriptor: | ClCdnE | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-02 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
|
|
7X4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x4f by Molmil](/molmil-images/mine/7x4f) | Native CD-NTase LpCdnE | Descriptor: | Cyclic dipyrimidine nucleotide synthase, SULFATE ION | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-02 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
|
|
7X4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x4q by Molmil](/molmil-images/mine/7x4q) | LpCdnE UTP Mg complex | Descriptor: | Cyclic dipyrimidine nucleotide synthase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
|
|
7X4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x4g by Molmil](/molmil-images/mine/7x4g) | CD-NTase ClCdnE in complex with substrate UTP | Descriptor: | ClCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-02 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
|
|
7X4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x4t by Molmil](/molmil-images/mine/7x4t) | LpCdnE UMPNPP Mg complex | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, Cyclic dipyrimidine nucleotide synthase, GLYCEROL, ... | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
|
|
7F63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f63 by Molmil](/molmil-images/mine/7f63) | Cryo-EM structure of SARS-CoV-2 spike in complex with a neutralizing antibody chAb-45 (Focused refinement of S-RBD and chAb-45 region) | Descriptor: | RBD-chAb45, Heavy chain, Light chain, ... | Authors: | Yang, T.J, Yu, P.Y, Wu, H.C, Hsu, S.T.D. | Deposit date: | 2021-06-24 | Release date: | 2021-08-04 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure-guided antibody cocktail for prevention and treatment of COVID-19. Plos Pathog., 17, 2021
|
|
7F62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f62 by Molmil](/molmil-images/mine/7f62) | Cryo-EM structure of SARS-CoV-2 spike in complex with a neutralizing antibody chAb-25 (Focused refinement of S-RBD and chAb-25 region) | Descriptor: | RBD-chAb-25, Heavy chain, Light chain, ... | Authors: | Yang, T.J, Yu, P.Y, Wu, H.C, Hsu, S.T.D. | Deposit date: | 2021-06-24 | Release date: | 2021-08-04 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure-guided antibody cocktail for prevention and treatment of COVID-19. Plos Pathog., 17, 2021
|
|
8HYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hyk by Molmil](/molmil-images/mine/8hyk) | CD-NTase EfCdnE in complex with intermediate pppU[2'-5']p | Descriptor: | EfCdnE, MAGNESIUM ION, [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases. Nat Commun, 14, 2023
|
|
8HYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hyn by Molmil](/molmil-images/mine/8hyn) | Bacterial STING from Riemerella anatipestifer | Descriptor: | CD-NTase-associated protein 12, TETRAETHYLENE GLYCOL | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2023-01-07 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING. Nat Commun, 14, 2023
|
|
8HWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hwj by Molmil](/molmil-images/mine/8hwj) | Bacterial STING from Epilithonimonas lactis in complex with 3'3'-c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CD-NTase-associated protein 12 | Authors: | Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | Deposit date: | 2022-12-30 | Release date: | 2024-01-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.553 Å) | Cite: | Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING. Nat Commun, 14, 2023
|
|