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5KIV
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Crystal structure of SauMacro (SAV0325)
分子名称: 1,2-ETHANEDIOL, ETHANOL, Protein-ADP-ribose hydrolase, ...
著者Williams, R.S, Appel, C.D, Feld, G.K, Wallace, B.D.
登録日2016-06-17
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of the sirtuin-linked macrodomain SAV0325 from Staphylococcus aureus.
Protein Sci., 25, 2016
5LAU
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BU of 5lau by Molmil
Oceanobacillus iheyensis macrodomain mutant G37V with ADPR
分子名称: 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
著者Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A.
登録日2016-06-15
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
5HOL
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BU of 5hol by Molmil
The crystal structure of the MERS-CoV macro domain with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ORF1a
著者Lei, J, Hilgenfeld, R.
登録日2016-01-19
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Nsp3 of coronaviruses: Structures and functions of a large multi-domain protein.
Antiviral Res., 149, 2018
9AZX
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BU of 9azx by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with NDPr
分子名称: Non-structural protein 3, {(2R,3S,4R,5R)-5-[(8S)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate
著者Wallace, S.D, Bagde, S.R, Fromme, J.C.
登録日2024-03-11
公開日2024-05-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献GS-441524-Diphosphate-Ribose Derivatives as Nanomolar Binders and Fluorescence Polarization Tracers for SARS-CoV-2 and Other Viral Macrodomains.
Acs Chem.Biol., 19, 2024
3VFQ
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BU of 3vfq by Molmil
Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphoribose
分子名称: 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
著者Karlberg, T, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC)
登録日2012-01-10
公開日2013-03-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
5HIH
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BU of 5hih by Molmil
Crystal structure of the macro domain in Middle-East Respiratory Syndrome Coronavirus
分子名称: ORF1a
著者Lei, J, Hilgenfeld, R.
登録日2016-01-11
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural and mutational analysis of the interaction between the Middle-East respiratory syndrome coronavirus (MERS-CoV) papain-like protease and human ubiquitin.
Virol Sin, 31, 2016
7NY7
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BU of 7ny7 by Molmil
Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Histone macroH2A1.1
著者Guberovic, I, Knobloch, G, Basquin, J, Buschbeck, M, Ladurner, A.G.
登録日2021-03-21
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Histone macroH2A1.1
著者Knobloch, G, Guberovic, I, Basquin, J, Buschbeck, M, Ladurner, A.G.
登録日2021-03-21
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Evolution of a histone variant involved in compartmental regulation of NAD metabolism.
Nat.Struct.Mol.Biol., 28, 2021
5ZUB
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BU of 5zub by Molmil
Crystal structure of MERS-CoV macro domain in complex with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ORF1a
著者Lin, M.-H, Cho, C.-C, Chien, C.-Y, Hsu, C.-H.
登録日2018-05-07
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.677 Å)
主引用文献Crystal structure of MERS-CoV macro domain in complex with NAD
To Be Published
5ZU9
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BU of 5zu9 by Molmil
Crystal structure of MERS-CoV macro domain in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ORF1a
著者Lin, M.-H, Cho, C.-C, Chien, C.-Y, Hsu, C.-H.
登録日2018-05-07
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Crystal structure of MERS-CoV macro domain in complex with ADP
To Be Published
5IQ5
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BU of 5iq5 by Molmil
NMR solution structure of Mayaro virus macro domain
分子名称: Macro domain
著者Melekis, E, Tsika, A.C, Bentrop, D, Papageorgiou, N, Coutard, B, Spyroulias, G.A.
登録日2016-03-10
公開日2017-12-20
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain.
J.Mol.Biol., 431, 2019
5ISN
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BU of 5isn by Molmil
NMR solution structure of macro domain from Venezuelan equine encephalitis virus
分子名称: Non-structural polyprotein
著者Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Tsika, A.C, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A.
登録日2016-03-15
公開日2017-11-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose.
J.Struct.Biol., 206, 2019
8SH8
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BU of 8sh8 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
分子名称: 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
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
To Be Published
5ZU7
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BU of 5zu7 by Molmil
Crystal structure of MERS-CoV macro domain in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, ORF1a
著者Lin, M.-H, Cho, C.-C, Chien, C.-Y, Hsu, C.-H.
登録日2018-05-07
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Crystal structure of MERS-CoV macro domain in complex with AMP
To Be Published
8SH6
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BU of 8sh6 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
分子名称: Papain-like protease nsp3
著者Correy, G.J, Fraser, J.S.
登録日2023-04-13
公開日2024-05-01
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant (P43 crystal form)
To Be Published
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)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, histone macroH2A1.1
著者Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G.
登録日2005-05-19
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Splicing regulates NAD metabolite binding to histone macroH2A.
Nat.Struct.Mol.Biol., 12, 2005
1ZR5
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BU of 1zr5 by Molmil
Crystal structure of the macro-domain of human core histone variant macroH2A1.2
分子名称: H2AFY protein
著者Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G.
登録日2005-05-19
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Splicing regulates NAD metabolite binding to histone macroH2A.
Nat.Struct.Mol.Biol., 12, 2005
5ZUA
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BU of 5zua by Molmil
Crystal structure of MERS-CoV macro domain in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ORF1a
著者Lin, M.-H, Cho, C.-C, Chien, C.-Y, Hsu, C.-H.
登録日2018-05-07
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.471 Å)
主引用文献Crystal structure of MERS-CoV macro domain in complex with ATP
To Be Published
2EEE
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BU of 2eee by Molmil
Solution structure of the A1pp domain from human protein C6orf130
分子名称: Uncharacterized protein C6orf130
著者Tomizawa, T, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-15
公開日2007-08-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the A1pp domain from human protein C6orf130
To be Published
8TV6
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BU of 8tv6 by Molmil
SARS-CoV-2 Mac1 in complex with MDOLL-0169
分子名称: (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, ...
著者Wazir, S, Maksimainen, M, Lehtio, L.
登録日2023-08-17
公開日2024-04-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献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
8TV7
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BU of 8tv7 by Molmil
SARS-CoV-2 Mac1 in complex with MDOLL-0229
分子名称: (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
著者Wazir, S, Maksimainen, M, Lehtio, L.
登録日2023-08-17
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
7P27
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BU of 7p27 by Molmil
NMR solution structure of Chikungunya virus macro domain
分子名称: Polyprotein P1234
著者Lykouras, M.V, Tsika, A.C, Papageorgiou, N, Canard, B, Coutard, B, Bentrop, D, Spyroulias, G.A.
登録日2021-07-04
公開日2022-07-13
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
2DX6
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BU of 2dx6 by Molmil
Crystal structure of conserved hypothetical protein, TTHA0132 from Thermus thermophilus HB8
分子名称: ACETATE ION, Hypothetical protein TTHA0132, ISOPROPYL ALCOHOL
著者Kishishita, S, Murayama, K, Terada, T, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-08-24
公開日2007-02-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of conserved hypothetical protein, TTHA0132 from Thermus thermophilus HB8
To be Published
2ACF
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BU of 2acf by Molmil
NMR STRUCTURE OF SARS-COV NON-STRUCTURAL PROTEIN NSP3A (SARS1) FROM SARS CORONAVIRUS
分子名称: GLYCEROL, Replicase polyprotein 1ab
著者Saikatendu, K.S, Joseph, J.S, Subramanian, V, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Joint Center for Structural Genomics (JCSG)
登録日2005-07-18
公開日2006-02-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of severe acute respiratory syndrome coronavirus ADP-ribose-1''-phosphate dephosphorylation by a conserved domain of nsP3.
Structure, 13, 2005
1YD9
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BU of 1yd9 by Molmil
1.6A Crystal Structure of the Non-Histone Domain of the Histone Variant MacroH2A1.1.
分子名称: Core histone macro-H2A.1, GOLD ION
著者Chakravarthy, S, Swamy, G.Y.S.K, Caron, C, Perche, P.Y, Pehrson, J.R, Khochbin, S, Luger, K.
登録日2004-12-23
公開日2005-09-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural characterization of the histone variant macroH2A
Mol.Cell.Biol., 25, 2005

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