3KR7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kr7 by Molmil](/molmil-images/mine/3kr7) | Human tankyrase 2 - catalytic PARP domain | Descriptor: | GLYCEROL, SULFATE ION, Tankyrase-2, ... | 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, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, 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: | 2009-11-18 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor. J.Med.Chem., 53, 2010
|
|
4F1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f1l by Molmil](/molmil-images/mine/4f1l) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f0e by Molmil](/molmil-images/mine/4f0e) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f1q by Molmil](/molmil-images/mine/4f1q) | 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
|
|
4TVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tvj by Molmil](/molmil-images/mine/4tvj) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4und by Molmil](/molmil-images/mine/4und) | 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
|
|
4F0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f0d by Molmil](/molmil-images/mine/4f0d) | Human ARTD15/PARP16 IN COMPLEX WITH 3-AMINOBENZAMIDE | Descriptor: | 3-aminobenzamide, Poly [ADP-ribose] polymerase 16 | Authors: | Karlberg, T, Thorsell, A.G, Kallas, A, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-05-04 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human ADP-ribose Transferase ARTD15/PARP16 Reveals a Novel Putative Regulatory Domain. J.Biol.Chem., 287, 2012
|
|
4R5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r5w by Molmil](/molmil-images/mine/4r5w) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r6e by Molmil](/molmil-images/mine/4r6e) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rv6 by Molmil](/molmil-images/mine/4rv6) | |
4X52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x52 by Molmil](/molmil-images/mine/4x52) | 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
|
|
5LX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lx6 by Molmil](/molmil-images/mine/5lx6) | |
4GV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gv4 by Molmil](/molmil-images/mine/4gv4) | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0328 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2012-08-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
|
|
4GV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gv2 by Molmil](/molmil-images/mine/4gv2) | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0354 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2012-08-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
|
|
4GV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gv7 by Molmil](/molmil-images/mine/4gv7) | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor ME0328 | Descriptor: | 2-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 1 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2012-08-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
|
|
4GV0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gv0 by Molmil](/molmil-images/mine/4gv0) | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0355 | Descriptor: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3 | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | Deposit date: | 2012-08-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3 Acs Chem.Biol., 8, 2013
|
|
1LBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lbq by Molmil](/molmil-images/mine/1lbq) | The crystal structure of Saccharomyces cerevisiae ferrochelatase | Descriptor: | Ferrochelatase | Authors: | Karlberg, T, Lecerof, D, Gora, M, Silvegren, G, Labbe-Bois, R, Hansson, M, Al-Karadaghi, S. | Deposit date: | 2002-04-04 | Release date: | 2002-11-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Metal binding to Saccharomyces cerevisiae ferrochelatase Biochemistry, 41, 2002
|
|
1L8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l8x by Molmil](/molmil-images/mine/1l8x) | Crystal Structure of Ferrochelatase from the Yeast, Saccharomyces cerevisiae, with Cobalt(II) as the Substrate Ion | Descriptor: | COBALT (II) ION, Ferrochelatase | Authors: | Karlberg, T, Lecerof, D, Gora, M, Silvegren, G, Labbe-Bois, R, Hansson, M, Al-Karadaghi, S. | Deposit date: | 2002-03-22 | Release date: | 2002-11-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Metal Binding to Saccharomyces cerevisiae Ferrochelatase Biochemistry, 41, 2002
|
|
6HXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hxr by Molmil](/molmil-images/mine/6hxr) | Human PARP16 (ARTD15) IN COMPLEX WITH EB-47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Mono [ADP-ribose] polymerase PARP16 | Authors: | Karlberg, T, Pinto, A.F, Thorsell, A.G, Schuler, H. | Deposit date: | 2018-10-18 | Release date: | 2019-10-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Human PARP16 (ARTD15) IN COMPLEX WITH EB-47 To Be Published
|
|
6HXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hxs by Molmil](/molmil-images/mine/6hxs) | Human PARP16 (ARTD15) IN COMPLEX WITH CARBA-NAD | Descriptor: | ADENOSINE, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... | Authors: | Karlberg, T, Pinto, A.F, Thorsell, A.G, Schuler, H. | Deposit date: | 2018-10-18 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Human PARP16 (ARTD15) IN COMPLEX WITH CARBA-NAD To Be Published
|
|
4D86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d86 by Molmil](/molmil-images/mine/4d86) | 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
|
|
5LYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lyh by Molmil](/molmil-images/mine/5lyh) | 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
|
|
5LXP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lxp by Molmil](/molmil-images/mine/5lxp) | 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
|
|
5NQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nqe by Molmil](/molmil-images/mine/5nqe) | 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
|
|
3Q71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q71 by Molmil](/molmil-images/mine/3q71) | 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
|
|