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8AZD	Structure of SARS-CoV-2 NSP3 macrodomain in complex with ADPR Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Papain-like protease nsp3 Authors: Sander, S, Tidow, H, Fliegert, R, Sandmann, M. Deposit date: 2022-09-05 Release date: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of SARS-CoV-2 NSP3 macrodomain in the apo form To Be Published
8AZI	Structure of SARS-CoV-2 NSP3 macrodomain in complex with 2'-deoxy-ADPR Descriptor: 2'-deoxyadenosine 5'-diphosphoribose, Papain-like protease nsp3 Authors: Sander, S, Tidow, H, Fliegert, R, Sandmann, M. Deposit date: 2022-09-06 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure of SARS-CoV-2 NSP3 macrodomain in the apo form To Be Published
6W0T	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments Descriptor: 6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid, Non-structural protein 3 Authors: Wu, M, Zhang, S. Deposit date: 2020-03-02 Release date: 2021-01-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W8Y	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments Descriptor: 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein Authors: Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. Deposit date: 2020-03-21 Release date: 2021-01-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W8Z	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments Descriptor: Nonstructural polyprotein, methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate Authors: Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. Deposit date: 2020-03-21 Release date: 2021-01-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W91	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments Descriptor: Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate Authors: Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. Deposit date: 2020-03-21 Release date: 2021-01-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
8AZC	Structure of SARS-CoV-2 NSP3 macrodomain in the apo form Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3 Authors: Sander, S, Tidow, H, Fliegert, R, Sandmann, M. Deposit date: 2022-09-05 Release date: 2023-09-13 Method: X-RAY DIFFRACTION (0.93 Å) Cite: Structure of SARS-CoV-2 NSP3 macrodomain in the apo form To Be Published
8AZO	Structure of SARS-CoV-2 NSP3 macrodomain in complex with beta-ethyl-ADP Descriptor: Papain-like protease nsp3, beta-ethyl-adenosine diphosphate Authors: Sander, S, Tidow, H, Fliegert, R, Sandmann, M. Deposit date: 2022-09-06 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure of SARS-CoV-2 NSP3 macrodomain in complex with beta-ethyl-ADP To Be Published
8AZL	Structure of SARS-CoV-2 NSP3 macrodomain in complex with 2'-deoxy-2'-fluoro-ADPR Descriptor: 2'-deoxyadenosine 5'-fluoro-diphosphoribose, Papain-like protease nsp3 Authors: Sander, S, Tidow, H, Fliegert, R, Sandmann, M. Deposit date: 2022-09-06 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure of SARS-CoV-2 NSP3 macrodomain in complex with 2'-deoxy-2'-fluoro-ADPR To Be Published
8AZP	Structure of SARS-CoV-2 NSP3 macrodomain in complex with beta-methyl-ADP Descriptor: Papain-like protease nsp3, beta-methyl-adenosine diphosphate Authors: Sander, S, Tidow, H, Fliegert, R, Sandmann, M. Deposit date: 2022-09-06 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structure of SARS-CoV-2 NSP3 macrodomain in complex with beta-methyl-ADP To Be Published
8AZM	Structure of SARS-CoV-2 NSP3 macrodomain in complex with 8Br-ADPR Descriptor: 8-bromoadenosine 5'-diphosphoribose, Papain-like protease nsp3 Authors: Sander, S, Tidow, H, Fliegert, R, Sandmann, M. Deposit date: 2022-09-06 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure of SARS-CoV-2 NSP3 macrodomain in complex with 8Br-ADPR To Be Published
8AZN	Structure of SARS-CoV-2 NSP3 macrodomain in complex with alpha-1-O-Me-ADPR Descriptor: Adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere, Papain-like protease nsp3 Authors: Sander, S, Tidow, H, Fliegert, R, Sandmann, M. Deposit date: 2022-09-06 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structure of SARS-CoV-2 NSP3 macrodomain in complex with alpha-1-O-Me-ADPR To Be Published
6W7H	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments Descriptor: 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein Authors: Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. Deposit date: 2020-03-19 Release date: 2021-01-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W8Q	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments Descriptor: 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid, Nonstructural polyprotein Authors: Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. Deposit date: 2020-03-21 Release date: 2021-01-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.34 Å) Cite: Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W8M	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments Descriptor: 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid, Nonstructural polyprotein Authors: Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. Deposit date: 2020-03-20 Release date: 2021-01-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6W8K	Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments Descriptor: 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein Authors: Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. Deposit date: 2020-03-20 Release date: 2021-01-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
6VUQ	Crystal structure of CHIKV nsP3 macrodomain soaked with ADP-ribose Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Nonstructural polyprotein Authors: Wu, M. Deposit date: 2020-02-16 Release date: 2021-01-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
8C1A	SARS-CoV-2 NSP3 macrodomain in complex with aztreonam Descriptor: 1,2-ETHANEDIOL, Replicase polyprotein 1ab, aztreonam Authors: Schuller, M, Ahel, I. Deposit date: 2022-12-20 Release date: 2023-03-08 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors. Pathogens, 12, 2023
8C19	SARS-CoV-2 NSP3 macrodomain in complex with 1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine Descriptor: 1,2-ETHANEDIOL, Non-structural protein 3, [5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone Authors: Schuller, M, Ahel, I. Deposit date: 2022-12-20 Release date: 2023-03-08 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors. Pathogens, 12, 2023
2M0A	Solution structure of MHV nsp3a Descriptor: Non-structural protein 3 Authors: Keane, S.C, Giedroc, D.P. Deposit date: 2012-10-23 Release date: 2013-01-23 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Solution Structure of Mouse Hepatitis Virus (MHV) nsp3a and Determinants of the Interaction with MHV Nucleocapsid (N) Protein. J.Virol., 87, 2013
1XJH	NMR structure of the redox switch domain of the E. coli Hsp33 Descriptor: 33 kDa chaperonin, ZINC ION Authors: Won, H.S, Low, L.Y, De Guzman, R.N, Martinez-Yamout, M.A, Jakob, U, Dyson, H.J. Deposit date: 2004-09-23 Release date: 2004-10-05 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: The Zinc-dependent Redox Switch Domain of the Chaperone Hsp33 has a Novel Fold J.Mol.Biol., 341, 2004
7PKU	Structure of SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a Descriptor: 3C-like proteinase, Nucleoprotein Authors: Bessa, L.M, Guseva, S, Camacho-Zarco, A.R, Salvi, N, Blackledge, M. Deposit date: 2021-08-26 Release date: 2022-01-19 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: The intrinsically disordered SARS-CoV-2 nucleoprotein in dynamic complex with its viral partner nsp3a. Sci Adv, 8, 2022
6NW9	CRYSTAL STRUCTURE OF A TAILSPIKE PROTEIN 3 (TSP3, ORF212) FROM ESCHERICHIA COLI O157:H7 BACTERIOPHAGE CBA120 Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ... Authors: Greenfield, J.Y, Herzberg, O. Deposit date: 2019-02-06 Release date: 2019-06-05 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structure and tailspike glycosidase machinery of ORF212 from E. coli O157:H7 phage CBA120 (TSP3). Sci Rep, 9, 2019
1LJ2	Recognition of eIF4G by Rotavirus NSP3 reveals a basis for mRNA circularization Descriptor: GOLD ION, NONSTRUCTURAL RNA-BINDING PROTEIN 34, eukaryotic protein synthesis initiation factor Authors: Groft, C.M, Burley, S.K. Deposit date: 2002-04-18 Release date: 2002-07-05 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Recognition of eIF4G by rotavirus NSP3 reveals a basis for mRNA circularization. Mol.Cell, 9, 2002
6WEY	High-resolution structure of the SARS-CoV-2 NSP3 Macro X domain Descriptor: Non-structural protein 3 Authors: Vuksanovic, N, Silvaggi, N.R. Deposit date: 2020-04-03 Release date: 2020-04-29 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (0.95 Å) Cite: Molecular Basis for ADP-Ribose Binding to the Mac1 Domain of SARS-CoV-2 nsp3. Biochemistry, 59, 2020

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