9AZX
| 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
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4UML
| Crystal structure of ganglioside induced differentiation associated protein 2 (GDAP2) macro domain | 分子名称: | GANGLIOSIDE-INDUCED DIFFERENTIATION-ASSOCIATED PROTEIN 2 | 著者 | 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. | 登録日 | 2014-05-19 | 公開日 | 2014-05-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of Gdap2 To be Published
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7QG7
| SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524 | 分子名称: | (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 | 著者 | Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H. | 登録日 | 2021-12-07 | 公開日 | 2021-12-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 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
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6FX7
| Crystal structure of in vitro evolved Af1521 | 分子名称: | [(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 | 著者 | Karlberg, T, Thorsell, A.G, Nowak, K, Hottiger, M.O, Schuler, H. | 登録日 | 2018-03-08 | 公開日 | 2019-09-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Engineering Af1521 improves ADP-ribose binding and identification of ADP-ribosylated proteins. Nat Commun, 11, 2020
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5O2D
| PARP14 Macrodomain 2 with inhibitor | 分子名称: | Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide | 著者 | Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2017-05-20 | 公開日 | 2017-11-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14. ACS Chem. Biol., 12, 2017
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5AIL
| Human PARP9 2nd macrodomain | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, POLY [ADP-RIBOSE] POLYMERASE 9, ... | 著者 | Sieg, C, Shrestha, L, Talon, R, Sorrell, F, Williams, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M. | 登録日 | 2015-02-15 | 公開日 | 2015-02-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure of Parp9 2Nd Macrodomain To be Published
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8GIA
| Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with TFMU-ADPr | 分子名称: | 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 | 著者 | Wallace, S.D, Bagde, S.R, Fromme, J.C. | 登録日 | 2023-03-13 | 公開日 | 2023-05-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | 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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4D86
| Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphate | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Poly [ADP-ribose] polymerase 14 | 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 Å) | 主引用文献 | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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6FY5
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4TU0
| CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER | 分子名称: | 2'-5' OLIGOADENYLATE TRIMER, DI(HYDROXYETHYL)ETHER, Non-structural polyprotein 3 | 著者 | Morin, B, Ferron, f.p, Malet, h, Coutard, b, Canard, b. | 登録日 | 2014-06-23 | 公開日 | 2014-07-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS NSP3 MACRO DOMAIN IN COMPLEX WITH A 2'-5' OLIGOADENYLATE TRIMER TO BE PUBLISHED
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1HJZ
| Crystal structure of AF1521 protein containing a macroH2A domain | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HYPOTHETICAL PROTEIN AF1521 | 著者 | Allen, M.D, Buckle, A.M, Cordell, S.C, Lowe, J, Bycroft, M. | 登録日 | 2003-03-05 | 公開日 | 2003-07-10 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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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8CB3
| SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, Papain-like protease nsp3 | 著者 | Morin, B, Ferron, F, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP) | 登録日 | 2023-01-25 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.572 Å) | 主引用文献 | SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid To Be Published
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1SPV
| Crystal Structure of the Putative Phosphatase of Escherichia coli, Northeast Structural Genomoics Target ER58 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, putative polyprotein/phosphatase | 著者 | 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) | 登録日 | 2004-03-17 | 公開日 | 2004-04-06 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of the Putative Phosphatase of Escherichia coli, Northeast Structural Genomoics Target ER58 To be Published
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3V2B
| Human poly(adp-ribose) polymerase 15 (ARTD7, BAL3), macro domain 2 in complex with adenosine-5-diphosphoribose | 分子名称: | 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 | 著者 | 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) | 登録日 | 2011-12-12 | 公開日 | 2011-12-21 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
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3VFQ
| 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
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2BFR
| The Macro domain is an ADP-ribose binding module | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, HYPOTHETICAL PROTEIN AF1521, MAGNESIUM ION | 著者 | Karras, G.I, Buhecha, H.R, Allen, M.D, Pugieux, C, Sait, F, Bycroft, M, Ladurner, A.G. | 登録日 | 2004-12-10 | 公開日 | 2004-12-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Macro Domain is an Adp-Ribose Binding Module. Embo J., 24, 2005
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2BFQ
| MACRO DOMAINS ARE ADP-RIBOSE BINDING MOLECULES | 分子名称: | HYPOTHETICAL PROTEIN AF1521, [(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 | Karras, G.I, Buhecha, H.R, Allen, M.D, Pugieux, C, Sait, F, Bycroft, M, Ladurner, A.G. | 登録日 | 2004-12-10 | 公開日 | 2005-01-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The Macro Domain is an Adp-Ribose Binding Module. Embo J., 24, 2005
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8TV7
| 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
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8TV6
| 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
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8ERS
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4ABL
| HUMAN PARP14 (ARTD8, BAL2) - MACRO DOMAIN 3 | 分子名称: | BROMIDE ION, POLY [ADP-RIBOSE] POLYMERASE 14 | 著者 | Karlberg, T, Moche, M, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H. | 登録日 | 2011-12-08 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Recognition of Mono-Adp-Ribosylated Artd10 Substrates by Artd8 Macrodomains Structure, 21, 2013
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8P0E
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4ABK
| HUMAN PARP14 (ARTD8, BAL2) - MACRO DOMAIN 3 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, Moche, M, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H. | 登録日 | 2011-12-08 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Recognition of Mono-Adp-Ribosylated Artd10 Substrates by Artd8 Macrodomains Structure, 21, 2013
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1VHU
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8P0C
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