1RP0
| Crystal Structure of Thi1 protein from Arabidopsis thaliana | Descriptor: | ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)-4-METHYL-THIAZOLE-2-CARBOXYLIC ACID, HEPTANE-1,2,3-TRIOL, Thiazole biosynthetic enzyme, ... | Authors: | Godoi, P.H.C, Van Sluys, M.A, Menck, C.F.M, Oliva, G. | Deposit date: | 2003-12-02 | Release date: | 2005-02-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the thiazole biosynthetic enzyme THI1 from Arabidopsis thaliana. J.Biol.Chem., 281, 2006
|
|
7S82
| |
1MVQ
| Cratylia mollis lectin (isoform 1) in complex with methyl-alpha-D-mannose | Descriptor: | CALCIUM ION, MANGANESE (II) ION, lectin, ... | Authors: | de Souza, G.A, Oliveira, P.S, Trapani, S, Correia, M.T, Oliva, G, Coelho, L.C, Greene, L.J. | Deposit date: | 2002-09-26 | Release date: | 2003-10-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Amino acid sequence and tertiary structure of Cratylia mollis seed lectin Glycobiology, 13, 2003
|
|
1II2
| Crystal Structure of Phosphoenolpyruvate Carboxykinase (PEPCK) from Trypanosoma cruzi | Descriptor: | PHOSPHOENOLPYRUVATE CARBOXYKINASE, SULFATE ION | Authors: | Trapani, S, Linss, J, Goldenberg, S, Fischer, H, Craievich, A.F, Oliva, G. | Deposit date: | 2001-04-20 | Release date: | 2001-11-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the dimeric phosphoenolpyruvate carboxykinase (PEPCK) from Trypanosoma cruzi at 2 A resolution. J.Mol.Biol., 313, 2001
|
|
5SBF
| PanDDA analysis group deposition of ground-state model of SARS-CoV-2 NendoU | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | Deposit date: | 2021-07-23 | Release date: | 2022-02-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 51, 2023
|
|
5U04
| Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase | Descriptor: | PHOSPHATE ION, ZINC ION, Zika Virus NS5 RdRp | Authors: | Godoy, A.S, Lima, G.M.A, Oliveira, K.I.Z, Torres, N.U, Maluf, F.V, Guido, R.V.C, Oliva, G. | Deposit date: | 2016-11-22 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase. Nat Commun, 8, 2017
|
|
8DZ0
| Crystal Structure of SARS-CoV-2 Main protease in complex with Ensitrelvir | Descriptor: | 3C-like proteinase nsp5, 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, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
|
|
8DZA
| Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
|
|
8DZ1
| Crystal Structure of SARS-CoV-2 Main protease mutant M49I in complex with Ensitrelvir | Descriptor: | 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, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
|
|
8DZ2
| Crystal Structure of SARS-CoV-2 Main protease in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.129 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
|
|
8DZ6
| Crystal Structure of SARS-CoV-2 Main protease mutant Q189K in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.366 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
|
|
8EY2
| Cryo-EM structure of SARS-CoV-2 Main protease C145S in complex with N-terminal peptide | Descriptor: | 3C-like proteinase | Authors: | Noske, G.D, Song, Y, Fernandes, R.S, Oliva, G, Godoy, A.S. | Deposit date: | 2022-10-26 | Release date: | 2022-12-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition. Nat Commun, 14, 2023
|
|
8DZ9
| Crystal Structure of SARS-CoV-2 Main protease G143S mutant in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-06 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.664 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
|
|
8E1Y
| Crystal Structure of SARS-CoV-2 Main protease A193S mutant in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | Deposit date: | 2022-08-11 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023
|
|
5RHM
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1454310449 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5RHH
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1515654336 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5RHY
| PanDDA analysis group deposition of ground-state model of Zika Virus NS3 Helicase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, NS3 Helicase, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | PanDDA analysis group deposition of ground-state model To Be Published
|
|
5RHK
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z87615031 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, N-[4-(2-amino-2-oxoethyl)phenyl]acetamide, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5RHR
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1348559502 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-(methylamino)cyclopentane-1-carboxamide, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5RHI
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z198194396 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 4-(furan-2-carbonyl)piperazine-1-carboxamide, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5RHJ
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z126932614 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[(methylsulfonyl)methyl]-1H-benzimidazole, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5RHT
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z291279160 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[2-(trifluoromethyloxy)phenyl]thiourea, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5RHG
| |
5RHW
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z31222641 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, NS3 Helicase, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5RHQ
| PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z235449082 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, NS3 Helicase, ... | Authors: | Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. | Deposit date: | 2020-05-25 | Release date: | 2020-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|