6R0R
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![BU of 6r0r by Molmil](/molmil-images/mine/6r0r) | Getah virus macro domain in complex with ADPr covalently bond to Cys34 | Descriptor: | 1,2-ETHANEDIOL, Non-structural polyprotein, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate | Authors: | Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B. | Deposit date: | 2019-03-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography. Sci Rep, 10, 2020
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2LGR
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6WEN
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![BU of 6wen by Molmil](/molmil-images/mine/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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7P27
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![BU of 7p27 by Molmil](/molmil-images/mine/7p27) | NMR solution structure of Chikungunya virus macro domain | Descriptor: | Polyprotein P1234 | Authors: | Lykouras, M.V, Tsika, A.C, Papageorgiou, N, Canard, B, Coutard, B, Bentrop, D, Spyroulias, G.A. | Deposit date: | 2021-07-04 | Release date: | 2022-07-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity. J.Mol.Biol., 434, 2022
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7C33
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![BU of 7c33 by Molmil](/molmil-images/mine/7c33) | Macro domain of SARS-CoV-2 in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Lin, M.H, Hsu, C.H. | Deposit date: | 2020-05-11 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.83 Å) | Cite: | Structural, Biophysical, and Biochemical Elucidation of the SARS-CoV-2 Nonstructural Protein 3 Macro Domain. Acs Infect Dis., 6, 2020
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4UML
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![BU of 4uml by Molmil](/molmil-images/mine/4uml) | Crystal structure of ganglioside induced differentiation associated protein 2 (GDAP2) macro domain | Descriptor: | GANGLIOSIDE-INDUCED DIFFERENTIATION-ASSOCIATED PROTEIN 2 | Authors: | Elkins, J.M, Wang, J, Kopec, J, Wang, D, Strain-Damerell, C, Shrestha, L, Sieg, C, Tallant, C, Newman, J.A, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2014-05-19 | Release date: | 2014-05-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Gdap2 To be Published
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4D86
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![BU of 4d86 by Molmil](/molmil-images/mine/4d86) | Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-01-10 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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7QG7
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![BU of 7qg7 by Molmil](/molmil-images/mine/7qg7) | SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside 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: | Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H. | Deposit date: | 2021-12-07 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity. J.Mol.Biol., 434, 2022
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3JZT
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![BU of 3jzt by Molmil](/molmil-images/mine/3jzt) | Structure of a cubic crystal form of X (ADRP) domain from FCoV with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, SODIUM ION, ... | Authors: | Wojdyla, J.A, Manolaridis, I, Tucker, P.A. | Deposit date: | 2009-09-24 | Release date: | 2010-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.91 Å) | Cite: | Structure of the X (ADRP) domain of nsp3 from feline coronavirus Acta Crystallogr.,Sect.D, 65, 2009
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8GIA
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![BU of 8gia by Molmil](/molmil-images/mine/8gia) | Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with TFMU-ADPr | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate | Authors: | Wallace, S.D, Bagde, S.R, Fromme, J.C. | Deposit date: | 2023-03-13 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A Fluorescence Polarization Assay for Macrodomains Facilitates the Identification of Potent Inhibitors of the SARS-CoV-2 Macrodomain. Acs Chem.Biol., 18, 2023
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1HJZ
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![BU of 1hjz by Molmil](/molmil-images/mine/1hjz) | Crystal structure of AF1521 protein containing a macroH2A domain | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HYPOTHETICAL PROTEIN AF1521 | Authors: | Allen, M.D, Buckle, A.M, Cordell, S.C, Lowe, J, Bycroft, M. | Deposit date: | 2003-03-05 | Release date: | 2003-07-10 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of Af1521 a Protein from Archaeoglobus Fulgidus with Homology to the Non-Histone Domain of Macroh2A J.Mol.Biol., 330, 2003
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4TU0
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![BU of 4tu0 by Molmil](/molmil-images/mine/4tu0) | CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER | Descriptor: | 2'-5' OLIGOADENYLATE TRIMER, DI(HYDROXYETHYL)ETHER, Non-structural polyprotein 3 | Authors: | Morin, B, Ferron, f.p, Malet, h, Coutard, b, Canard, b. | Deposit date: | 2014-06-23 | Release date: | 2014-07-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER TO BE PUBLISHED
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2L8R
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![BU of 2l8r by Molmil](/molmil-images/mine/2l8r) | |
8P0C
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![BU of 8p0c by Molmil](/molmil-images/mine/8p0c) | Rubella virus p150 macro domain (apo) | Descriptor: | Non-structural polyprotein p200 | Authors: | Stoll, G.A, Modis, Y. | Deposit date: | 2023-05-10 | Release date: | 2024-01-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure and biochemical activity of the macrodomain from rubella virus p150. J.Virol., 98, 2024
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8P0E
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1SPV
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![BU of 1spv by Molmil](/molmil-images/mine/1spv) | Crystal Structure of the Putative Phosphatase of Escherichia coli, Northeast Structural Genomoics Target ER58 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, putative polyprotein/phosphatase | Authors: | Forouhar, F, Lee, I, Vorobiev, S.M, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-03-17 | Release date: | 2004-04-06 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Putative Phosphatase of Escherichia coli, Northeast Structural Genomoics Target ER58 To be Published
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8SH8
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![BU of 8sh8 by Molmil](/molmil-images/mine/8sh8) | Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form) | Descriptor: | Papain-like protease nsp3, [(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: | Correy, G.J, Fraser, J.S. | Deposit date: | 2023-04-13 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form) To Be Published
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8SH6
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![BU of 8sh6 by Molmil](/molmil-images/mine/8sh6) | |
8TV7
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![BU of 8tv7 by Molmil](/molmil-images/mine/8tv7) | SARS-CoV-2 Mac1 in complex with MDOLL-0229 | Descriptor: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, GLYCEROL, Papain-like protease nsp3 | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
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8TV6
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![BU of 8tv6 by Molmil](/molmil-images/mine/8tv6) | SARS-CoV-2 Mac1 in complex with MDOLL-0169 | Descriptor: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
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6FY5
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![BU of 6fy5 by Molmil](/molmil-images/mine/6fy5) | Crystal structure of the macro domain of human macroh2a2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2 | Authors: | Hothorn, M. | Deposit date: | 2018-03-10 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | MacroH2A histone variants limit chromatin plasticity through two distinct mechanisms. EMBO Rep., 19, 2018
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6FX7
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![BU of 6fx7 by Molmil](/molmil-images/mine/6fx7) | Crystal structure of in vitro evolved Af1521 | Descriptor: | [(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, [Protein ADP-ribosylglutamate] hydrolase AF_1521 | Authors: | Karlberg, T, Thorsell, A.G, Nowak, K, Hottiger, M.O, Schuler, H. | Deposit date: | 2018-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Engineering Af1521 improves ADP-ribose binding and identification of ADP-ribosylated proteins. Nat Commun, 11, 2020
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3Q6Z
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![BU of 3q6z by Molmil](/molmil-images/mine/3q6z) | HUman PARP14 (ARTD8)-Macro domain 1 in complex with adenosine-5-diphosphoribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Poly [ADP-ribose] polymerase 14 | 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: | 2011-02-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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3Q71
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![BU of 3q71 by Molmil](/molmil-images/mine/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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1VHU
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![BU of 1vhu by Molmil](/molmil-images/mine/1vhu) | Crystal structure of a putative phosphoesterase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hypothetical protein AF1521 | Authors: | Structural GenomiX | Deposit date: | 2003-12-01 | Release date: | 2003-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
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