8AZD
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5FSZ
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7BF3
| Crystal structure of SARS-CoV-2 macrodomain in complex with adenosine | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ... | Authors: | Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-31 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 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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3EWP
| complex of substrate ADP-ribose with IBV Nsp3 ADRP domain | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z. | Deposit date: | 2008-10-16 | Release date: | 2009-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain. J.Virol., 83, 2009
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3EWR
| complex of substrate ADP-ribose with HCoV-229E Nsp3 ADRP domain | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z. | Deposit date: | 2008-10-16 | Release date: | 2009-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain. J.Virol., 83, 2009
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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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6R0F
| Getah virus macro domain in complex with ADPr, pose 1 | Descriptor: | Non-structural polyprotein, [(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: | Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography. Sci Rep, 10, 2020
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7BF5
| Crystal structure of SARS-CoV-2 macrodomain in complex with ADP-ribose-phosphate (ADP-ribose-2'-phosphate, ADPRP) | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, NSP3 macrodomain, ... | Authors: | Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-31 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
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2XD7
| Crystal structure of the macro domain of human core histone H2A | Descriptor: | CORE HISTONE MACRO-H2A.2 | Authors: | Vollmar, M, Phillips, C, Carpenter, E.P, Muniz, J.R.C, Krojer, T, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O. | Deposit date: | 2010-04-29 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of the Macro Domain of Human Core Histone H2A To be Published
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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
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3EKE
| Crystal structure of IBV X-domain at pH 5.6 | Descriptor: | L(+)-TARTARIC ACID, Non-structural protein 3 | Authors: | Piotrowski, Y, Hansen, G, Hilgenfeld, R. | Deposit date: | 2008-09-19 | Release date: | 2008-09-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property. Protein Sci., 18, 2009
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3EWQ
| HCov-229E Nsp3 ADRP domain | Descriptor: | Non-structural protein 3 | Authors: | Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z. | Deposit date: | 2008-10-16 | Release date: | 2009-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain. J.Virol., 83, 2009
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8AZM
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3IIF
| Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form B) | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1 | Authors: | Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K. | Deposit date: | 2009-07-31 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation. Nat.Struct.Mol.Biol., 16, 2009
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5IIT
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7BF6
| Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite GS-441524 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3 | Authors: | Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-31 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
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6YWM
| Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-29 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
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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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8AZL
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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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6YWK
| Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-29 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
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3V2B
| Human poly(adp-ribose) polymerase 15 (ARTD7, BAL3), macro domain 2 in complex with adenosine-5-diphosphoribose | Descriptor: | Poly [ADP-ribose] polymerase 15, [(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: | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kotzcsh, A, Kraulis, P, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van den berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-12-12 | Release date: | 2011-12-21 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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3ETI
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3Q71
| Human parp14 (artd8) - macro domain 2 in complex with adenosine-5-diphosphoribose | Descriptor: | Poly [ADP-ribose] polymerase 14, [(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: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-01-04 | Release date: | 2011-01-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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