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2X5Y
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BU of 2x5y by Molmil
Human ZC3HAV1 (ARTD13), C-terminal domain
Descriptor: ZINC FINGER CCCH-TYPE ANTIVIRAL PROTEIN 1
Authors:Karlberg, T, Schutz, P, 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, Kraulis, P, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.
Deposit date:2010-02-11
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.05 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
2OXC
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BU of 2oxc by Molmil
Human DEAD-box RNA helicase DDX20, DEAD domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Probable ATP-dependent RNA helicase DDX20
Authors:Karlberg, T, Ogg, D, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-02-20
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Human DEAD-box RNA helicase DDX20
To be Published
3BLJ
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BU of 3blj by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment
Descriptor: CHLORIDE ION, GLYCEROL, Poly(ADP-ribose) polymerase 15, ...
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2007-12-11
Release date:2007-12-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 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
3GEY
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BU of 3gey by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment in complex with an inhibitor Pj34
Descriptor: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 15
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-02-26
Release date:2009-03-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 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
2NZ2
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BU of 2nz2 by Molmil
Crystal structure of human argininosuccinate synthase in complex with aspartate and citrulline
Descriptor: ASPARTIC ACID, Argininosuccinate synthase, CITRULLINE, ...
Authors:Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2006-11-22
Release date:2006-12-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human argininosuccinate synthetase.
Acta Crystallogr.,Sect.D, 64, 2008
2PQF
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BU of 2pqf by Molmil
Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment in complex with an inhibitor 3-Aminobenzoic acid
Descriptor: 3-AMINOBENZOIC ACID, CITRIC ACID, Poly [ADP-ribose] polymerase 12
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-05-02
Release date:2007-05-15
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.2 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
2QZ4
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BU of 2qz4 by Molmil
Human paraplegin, AAA domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Paraplegin
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, J, Sagemark, C, Sundstrom, M, Thorsell, A.G, Tresauges, L, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-08-16
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of the ATPase Domain of the Human AAA+ Protein Paraplegin/SPG7.
Plos One, 4, 2009
3GOQ
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BU of 3goq by Molmil
Crystal structure of the Tyr13Met variant of Bacillus subtilis ferrochelatase
Descriptor: Ferrochelatase, MAGNESIUM ION
Authors:Karlberg, T, Hansson, M.D, Hansson, M, Al-Karadaghi, S.
Deposit date:2009-03-19
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the Tyr13Met variant of Bacillus subtilis ferrochelatase
To be Published
2Q2O
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BU of 2q2o by Molmil
Crystal structure of H183C Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride
Descriptor: Ferrochelatase, MAGNESIUM ION, PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
Authors:Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
Deposit date:2007-05-29
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
2Q3J
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BU of 2q3j by Molmil
Crystal structure of the His183Ala variant of Bacillus subtilis ferrochelatase in complex with N-Methyl Mesoporphyrin
Descriptor: Ferrochelatase, MAGNESIUM ION, N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
Authors:Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
Deposit date:2007-05-30
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
2Q2N
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BU of 2q2n by Molmil
Crystal structure of Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride
Descriptor: Ferrochelatase, MAGNESIUM ION, PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
Authors:Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
Deposit date:2007-05-29
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008
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
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
4MXE
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BU of 4mxe by Molmil
Human ESCO1 (Eco1/Ctf7 ortholog), acetyltransferase domain in complex with acetyl-CoA
Descriptor: ACETYL COENZYME *A, N-acetyltransferase ESCO1
Authors:Karlberg, T, Wisniewska, M, Thorsell, A.G, Kouznetsova, E, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Svensson, L, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2013-09-26
Release date:2015-04-08
Last modified:2016-05-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis.
Structure, 24, 2016
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
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
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
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
4F1L
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BU of 4f1l by Molmil
Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z)
Descriptor: (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H.
Deposit date:2012-05-07
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
4F0E
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BU of 4f0e by Molmil
Human ADP-RIBOSYLTRANSFERASE 7 (ARTD7/PARP15), CATALYTIC DOMAIN IN COMPLEX WITH STO1102
Descriptor: 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one, Poly [ADP-ribose] polymerase 15
Authors:Karlberg, T, Andersson, C.D, Lindgren, A, Thorsell, A.G, Ekblad, T, Spjut, S, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H.
Deposit date:2012-05-04
Release date:2012-09-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
4F1Q
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BU of 4f1q by Molmil
Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E)
Descriptor: (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H.
Deposit date:2012-05-07
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
4D86
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BU of 4d86 by Molmil
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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