8AZI
 
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8AZM
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8AZP
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8AZO
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6WEN
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form | | Descriptor: | CHLORIDE ION, Non-structural protein 3 | | Authors: | Michalska, K, Stols, L, Jedrzejczak, R, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-02 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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5KIV
 | | Crystal structure of SauMacro (SAV0325) | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Protein-ADP-ribose hydrolase, ... | | Authors: | Williams, R.S, Appel, C.D, Feld, G.K, Wallace, B.D. | | Deposit date: | 2016-06-17 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of the sirtuin-linked macrodomain SAV0325 from Staphylococcus aureus.
Protein Sci., 25, 2016
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5LBP
 | | Oceanobacillus iheyensis macrodomain mutant N30A | | Descriptor: | MacroD-type macrodomain, PHOSPHATE ION | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-16 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
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8C1A
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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
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5L9Q
 | | OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MACROD-TYPE MACRODOMAIN, SULFATE ION | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-10 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
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5L9K
 | | OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADPR | | Descriptor: | GLYCEROL, MACROD-TYPE MACRODOMAIN, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-10 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
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5LNC
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6WCF
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 3 | | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-30 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.065 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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8CB3
 | | SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Papain-like protease nsp3 | | Authors: | Morin, B, Ferron, F, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP) | | Deposit date: | 2023-01-25 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.572 Å) | | Cite: | SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid
To Be Published
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6WEY
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6WOJ
 | | Structure of the SARS-CoV-2 macrodomain (NSP3) in complex with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Gao, F.P, Fehr, A.R. | | Deposit date: | 2020-04-24 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The SARS-CoV-2 Conserved Macrodomain Is a Mono-ADP-Ribosylhydrolase.
J.Virol., 95, 2021
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5LCC
 | | Oceanobacillus iheyensis macrodomain mutant D40A | | Descriptor: | MACROD-TYPE MACRODOMAIN | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-20 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
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6VXS
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Non-structural protein 3, ... | | Authors: | Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-24 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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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
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5LW0
 | | Oryza sativa APL macrodomain in complex with ADP-ribose | | Descriptor: | Basic helix-loop-helix, putative, expressed, ... | | Authors: | Ariza, A. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The role of ADP-ribosylation in regulating DNA interstrand crosslink repair.
J.Cell.Sci., 129, 2016
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6Y73
 | | The crystal structure of human MACROD2 in space group P43 | | Descriptor: | ADP-ribose glycohydrolase MACROD2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Wazir, S, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2020-02-28 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Multiple crystal forms of human MacroD2.
Acta Crystallogr.,Sect.F, 76, 2020
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5LAU
 | | Oceanobacillus iheyensis macrodomain mutant G37V with ADPR | | Descriptor: | GLYCEROL, MacroD-type macrodomain, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-06-15 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
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5M3I
 | | Macrodomain of Mycobacterium tuberculosis DarG | | Descriptor: | CHLORIDE ION, RNase III inhibitor | | Authors: | Ariza, A. | | Deposit date: | 2016-10-14 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | The Toxin-Antitoxin System DarTG Catalyzes Reversible ADP-Ribosylation of DNA.
Mol. Cell, 64, 2016
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5M3E
 | | Macrodomain of Thermus aquaticus DarG in complex with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Appr-1-p processing domain protein, CHLORIDE ION | | Authors: | Ariza, A. | | Deposit date: | 2016-10-14 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Toxin-Antitoxin System DarTG Catalyzes Reversible ADP-Ribosylation of DNA.
Mol. Cell, 64, 2016
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5M31
 | | Macrodomain of Thermus aquaticus DarG | | Descriptor: | Appr-1-p processing domain protein, CHLORIDE ION, GLYCEROL | | Authors: | Ariza, A. | | Deposit date: | 2016-10-13 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The Toxin-Antitoxin System DarTG Catalyzes Reversible ADP-Ribosylation of DNA.
Mol. Cell, 64, 2016
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