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2Q9P
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Human diphosphoinositol polyphosphate phosphohydrolase 1, Mg-F complex
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ...
Authors:Thorsell, A.G, Busam, R, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Sundstrom, M, Van den Berg, S, Weigelt, J, Welin, M, Persson, C, Hallberg, B.M, Structural Genomics Consortium (SGC)
Deposit date:2007-06-13
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of human diphosphoinositol phosphatase 1.
Proteins, 77, 2009
4UXB
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BU of 4uxb by Molmil
Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor PJ34
Descriptor: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, POLY ADP-RIBOSE POLYMERASE 1, SULFATE ION
Authors:Tresaugues, L, Thorsell, A.G, Karlberg, T, Schuler, H.
Deposit date:2014-08-21
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
4R5W
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BU of 4r5w by Molmil
Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939
Descriptor: 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Karlberg, T, Thorsell, A.G, Schuler, H.
Deposit date:2014-08-22
Release date:2015-09-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J.Med.Chem., 60, 2017
4R6E
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BU of 4r6e by Molmil
Human artd1 (parp1) - catalytic domain in complex with inhibitor niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
Authors:Karlberg, T, Thorsell, A.G, Brock, J, Schuler, H.
Deposit date:2014-08-25
Release date:2015-09-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J.Med.Chem., 60, 2017
4RV6
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BU of 4rv6 by Molmil
Human ARTD1 (PARP1) catalytic domain in complex with inhibitor Rucaparib
Descriptor: Poly [ADP-ribose] polymerase 1, Rucaparib, SULFATE ION
Authors:Karlberg, T, Thorsell, A.G, Schuler, H.
Deposit date:2014-11-25
Release date:2015-12-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
4TVJ
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BU of 4tvj by Molmil
HUMAN ARTD2 (PARP2) - CATALYTIC DOMAIN IN COMPLEX WITH OLAPARIB
Descriptor: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Karlberg, T, Thorsell, A.G, Ekblad, T, Pinto, A.F, Schuler, H.
Deposit date:2014-06-27
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
4UND
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BU of 4und by Molmil
HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB
Descriptor: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, POLY [ADP-RIBOSE] POLYMERASE 1, SODIUM ION
Authors:Karlberg, T, Thorsell, A.G, Ekblad, T, Klepsch, M, Pinto, A.F, Tresaugues, L, Moche, M, Schuler, H.
Deposit date:2014-05-27
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
5LX6
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BU of 5lx6 by Molmil
Human PARP10 (ARTD10), catalytic fragment in complex with PARP inhibitor Veliparib
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 10
Authors:Karlberg, T, Thorsell, A.G, Schuler, H.
Deposit date:2016-09-20
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
2PSO
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BU of 2pso by Molmil
Human StarD13 (DLC2) lipid transfer and protein localization domain
Descriptor: StAR-related lipid transfer protein 13
Authors:Lehtio, L, Busam, R, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2007-05-07
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
2R55
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BU of 2r55 by Molmil
Human StAR-related lipid transfer protein 5
Descriptor: StAR-related lipid transfer protein 5
Authors:Lehtio, L, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2007-09-03
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
3P0L
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BU of 3p0l by Molmil
Human steroidogenic acute regulatory protein
Descriptor: Steroidogenic acute regulatory protein, mitochondrial
Authors:Lehtio, L, Siponen, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
3FO5
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BU of 3fo5 by Molmil
Human START domain of Acyl-coenzyme A thioesterase 11 (ACOT11)
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van-Den-Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Shueler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-12-27
Release date:2009-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
2FVZ
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BU of 2fvz by Molmil
Human Inositol Monophosphosphatase 2
Descriptor: Inositol monophosphatase 2
Authors:Ogg, D, Hallberg, B.M, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Structural Genomics Consortium (SGC)
Deposit date:2006-01-31
Release date:2006-02-21
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Human Inositol Monophosphatase 2
To be published
2FVV
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BU of 2fvv by Molmil
Human Diphosphoinositol polyphosphate phosphohydrolase 1
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Hallberg, B.M, Kursula, P, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2006-01-31
Release date:2006-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of human diphosphoinositol phosphatase 1
Proteins, 77, 2009
2GK9
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BU of 2gk9 by Molmil
Human Phosphatidylinositol-4-phosphate 5-kinase, type II, gamma
Descriptor: phosphatidylinositol-4-phosphate 5-kinase, type II, gamma
Authors:Uppenberg, J, Hogbom, M, Ogg, D, Arrowsmith, C, Berglund, H, Collins, R, Ehn, M, Flodin, S, Flores, A, Graslund, S, Holmberg-Schiavone, L, Edwards, A, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Hallberg, B.M, Structural Genomics Consortium (SGC)
Deposit date:2006-03-31
Release date:2006-05-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Human Phosphatidylinositol-4-phosphate 5-kinase, type II, gamma
To be Published
2IBN
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BU of 2ibn by Molmil
Crystal structure of Human myo-Inositol Oxygenase (MIOX)
Descriptor: (2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE, CYSTEINE, FE (III) ION, ...
Authors:Hallberg, B.M, Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2006-09-11
Release date:2006-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Biophysical Characterization of Human myo-Inositol Oxygenase
J.Biol.Chem., 283, 2008
4X52
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BU of 4x52 by Molmil
Human PARP13 (ZC3HAV1), C-Terminal PARP Domain (H810N; N830Y variant)
Descriptor: GLYCEROL, SULFATE ION, Zinc finger CCCH-type antiviral protein 1
Authors:Karlberg, T, Thorsell, A.G, Klepsch, M, Schuler, H.
Deposit date:2014-12-04
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
6EJP
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BU of 6ejp by Molmil
Yersinia YscU C-terminal fragment in complex with a synthetic compound
Descriptor: CHLORIDE ION, PHOSPHATE ION, SODIUM ION, ...
Authors:Karlberg, T, Thorsell, A.G, Ho, O, Sunduru, N, Elofsson, M, Wolf-Watz, M, Schuler, H.
Deposit date:2017-09-22
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Yersinia YscU C-terminal fragment in complex with a synthetic compound
To Be Published
3V2B
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BU of 3v2b by Molmil
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:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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
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, 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 (2.8 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
5LXP
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BU of 5lxp by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H5
Descriptor: Poly [ADP-ribose] polymerase 14, ~{N}'-(3-aminocarbonylphenyl)-~{N}-[[1-[(2~{R})-2-phenylpropyl]-1,2,3-triazol-4-yl]methyl]pentanediamide
Authors:Karlberg, T, Thorsell, A.G, Schuler, H.
Deposit date:2016-09-22
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Small Molecule Microarray Based Discovery of PARP14 Inhibitors.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LYH
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BU of 5lyh by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor H10
Descriptor: 3-[2-[4-[2-[[4-[(3-aminocarbonylphenyl)amino]-4-oxidanylidene-butanoyl]amino]ethyl]-1,2,3-triazol-1-yl]ethylsulfamoyl]benzoic acid, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Schuler, H.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Small Molecule Microarray Based Discovery of PARP14 Inhibitors.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NQE
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BU of 5nqe by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with an N-aryl piperazine inhibitor
Descriptor: 3-[[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzamide, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Schuler, H.
Deposit date:2017-04-20
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Design and synthesis of potent inhibitors of the mono(ADP-ribosyl)transferase, PARP14.
Bioorg. Med. Chem. Lett., 27, 2017
4ABK
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BU of 4abk by Molmil
HUMAN PARP14 (ARTD8, BAL2) - MACRO DOMAIN 3 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, Moche, M, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H.
Deposit date:2011-12-08
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of Mono-Adp-Ribosylated Artd10 Substrates by Artd8 Macrodomains
Structure, 21, 2013
4ABL
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BU of 4abl by Molmil
HUMAN PARP14 (ARTD8, BAL2) - MACRO DOMAIN 3
Descriptor: BROMIDE ION, POLY [ADP-RIBOSE] POLYMERASE 14
Authors:Karlberg, T, Moche, M, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H.
Deposit date:2011-12-08
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Recognition of Mono-Adp-Ribosylated Artd10 Substrates by Artd8 Macrodomains
Structure, 21, 2013

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