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7CZ4
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BU of 7cz4 by Molmil
Structure of SARS-CoV-2 macro domain in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Lin, M.H, Hsu, C.H.
Deposit date:2020-09-07
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural, Biophysical, and Biochemical Elucidation of the SARS-CoV-2 Nonstructural Protein 3 Macro Domain.
Acs Infect Dis., 6, 2020
6LFQ
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BU of 6lfq by Molmil
Crystal structure of Poa1p in apo form
Descriptor: ADP-ribose 1''-phosphate phosphatase, GLYCEROL
Authors:Chiu, Y.C, Hsu, C.H.
Deposit date:2019-12-03
Release date:2020-12-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
6LFR
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Poa1p in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase
Authors:Chiu, Y.C, Hsu, C.H.
Deposit date:2019-12-03
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
6LH4
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BU of 6lh4 by Molmil
Crystal structural of MacroD1-ADPr complex
Descriptor: ADP-ribose glycohydrolase MACROD1, [(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:Yang, X, Ma, Y, Li, Y.
Deposit date:2019-12-06
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation.
DNA Repair (Amst), 94, 2020
2X47
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BU of 2x47 by Molmil
Crystal structure of human MACROD1
Descriptor: MACRO DOMAIN-CONTAINING PROTEIN 1, SULFATE ION
Authors:Vollmar, M, Phillips, C, Mehrotra, P.V, Ahel, I, Krojer, T, Yue, W, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O.
Deposit date:2010-01-28
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of Macro Domain Proteins as Novel O-Acetyl-Adp-Ribose Deacetylases.
J.Biol.Chem., 286, 2011
2XD7
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BU of 2xd7 by Molmil
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
2VRI
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BU of 2vri by Molmil
Structure of the NSP3 X-domain of human coronavirus NL63
Descriptor: 1,2-ETHANEDIOL, NON-STRUCTURAL PROTEIN 3
Authors:Piotrowski, Y, Mesters, J.R, Moll, R, Hilgenfeld, R.
Deposit date:2008-04-08
Release date:2009-06-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Nsp3 X-Domain of Human Coronavirus Nl63
To be Published
6LFU
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BU of 6lfu by Molmil
Poa1p F152A mutant in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase
Authors:Chiu, Y.C, Hsu, C.H.
Deposit date:2019-12-03
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.123 Å)
Cite:Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
6LFT
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BU of 6lft by Molmil
Poa1p S30A mutant in complex with ADP-ribose
Descriptor: ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase
Authors:Chiu, Y.C, Hsu, C.H.
Deposit date:2019-12-03
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
6LFS
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BU of 6lfs by Molmil
Poa1p H23A mutant in complex with ADP-ribose
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase
Authors:Chiu, Y.C, Hsu, C.H.
Deposit date:2019-12-03
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
6MEB
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BU of 6meb by Molmil
Crystal structure of Tylonycteris bat coronavirus HKU4 macrodomain in complex with nicotinamide adenine dinucleotide (NAD+)
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Replicase polyprotein 1ab
Authors:Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A.
Deposit date:2018-09-06
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4
Proc.Natl.Acad.Sci.USA, 2021
6MEA
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BU of 6mea by Molmil
Crystal structure of a Tylonycteris bat coronavirus HKU4 macrodomain in complex with adenosine diphosphate ribose (ADP-ribose)
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab
Authors:Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A.
Deposit date:2018-09-06
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4
Proc.Natl.Acad.Sci.USA, 2021
6MEN
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BU of 6men by Molmil
Crystal structure of a Tylonycteris bat coronavirus HKU4 macrodomain in complex with adenosine diphosphate glucose (ADP-glucose)
Descriptor: ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, Replicase polyprotein 1ab
Authors:Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A.
Deposit date:2018-09-06
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4
Proc.Natl.Acad.Sci.USA, 2021
7NY7
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BU of 7ny7 by Molmil
Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Histone macroH2A1.1
Authors:Guberovic, I, Knobloch, G, Basquin, J, Buschbeck, M, Ladurner, A.G.
Deposit date:2021-03-21
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolution of a histone variant involved in compartmental regulation of NAD metabolism.
Nat.Struct.Mol.Biol., 28, 2021
7NY6
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BU of 7ny6 by Molmil
Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Histone macroH2A1.1
Authors:Knobloch, G, Guberovic, I, Basquin, J, Buschbeck, M, Ladurner, A.G.
Deposit date:2021-03-21
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Evolution of a histone variant involved in compartmental regulation of NAD metabolism.
Nat.Struct.Mol.Biol., 28, 2021
4IQY
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BU of 4iqy by Molmil
Crystal structure of the human protein-proximal ADP-ribosyl-hydrolase MacroD2
Descriptor: MAGNESIUM ION, O-acetyl-ADP-ribose deacetylase MACROD2, [(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:Jankevicius, G, Hassler, M, Golia, B, Rybin, V, Zacharias, M, Timinszky, G, Ladurner, A.G.
Deposit date:2013-01-14
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A family of macrodomain proteins reverses cellular mono-ADP-ribosylation.
Nat.Struct.Mol.Biol., 20, 2013
5CB3
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BU of 5cb3 by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase
Authors:Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
5CB5
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BU of 5cb5 by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
Descriptor: ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, ...
Authors:Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
4J5R
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BU of 4j5r by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 bound to ADP-HPD
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, CHLORIDE ION, ...
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
4J5S
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BU of 4j5s by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 ADP-ribose complex
Descriptor: 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, BORATE ION, ...
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
5CMS
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BU of 5cms by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, SULFATE ION
Authors:Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
Deposit date:2015-07-17
Release date:2015-11-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
3Q6Z
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BU of 3q6z by Molmil
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
3Q71
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BU of 3q71 by Molmil
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
7P27
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BU of 7p27 by Molmil
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
1ZR3
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BU of 1zr3 by Molmil
Crystal structure of the macro-domain of human core histone variant macroH2A1.1 (form B)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, histone macroH2A1.1
Authors:Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G.
Deposit date:2005-05-19
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Splicing regulates NAD metabolite binding to histone macroH2A.
Nat.Struct.Mol.Biol., 12, 2005

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