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4XSV
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BU of 4xsv by Molmil
Human CTP: Phosphoethanolamine Cytidylyltransferase in complex with CTP
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, Ethanolamine-phosphate cytidylyltransferase, ...
Authors:Schuler, H, Karlberg, T.
Deposit date:2015-01-22
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human CTP: Phosphoethanolamine Cytidylyltransferase
To Be Published
4M7B
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BU of 4m7b by Molmil
Human tankyrase 2 - catalytic Parp domain in complex with an inhibitor UPF1854
Descriptor: 4-{2-[(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl}phenol, SULFATE ION, Tankyrase-2, ...
Authors:Karlberg, T, Camaioni, E, Schuler, H.
Deposit date:2013-08-12
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, Synthesis, Crystallographic Studies, and Preliminary Biological Appraisal of New Substituted Triazolo[4,3-b]pyridazin-8-amine Derivatives as Tankyrase Inhibitors.
J.Med.Chem., 57, 2014
3KJD
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BU of 3kjd by Molmil
Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor ABT-888
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, GLYCEROL, Poly [ADP-ribose] polymerase 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, Roos, A.K, 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:2009-11-03
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
3KCZ
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BU of 3kcz by Molmil
Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor 3-aminobenzamide
Descriptor: 3-aminobenzamide, GLYCEROL, Poly [ADP-ribose] polymerase 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, Roos, A.K, 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:2009-10-22
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
2XRF
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BU of 2xrf by Molmil
Crystal structure of human uridine phosphorylase 2
Descriptor: GLYCEROL, MAGNESIUM ION, URACIL, ...
Authors:Welin, M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
Deposit date:2010-09-14
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Uridine Phosphorylase 2
To be Published
2XRI
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BU of 2xri by Molmil
Crystal structure of human ERI1 exoribonuclease 3
Descriptor: ERI1 EXORIBONUCLEASE 3, GLYCEROL, MAGNESIUM ION
Authors:Welin, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
Deposit date:2010-09-15
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Human Eri1 Exoribonuclease 3
To be Published
3KR8
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BU of 3kr8 by Molmil
Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939
Descriptor: 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, SULFATE ION, ...
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 (2.1 Å)
Cite:Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
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
2A98
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BU of 2a98 by Molmil
Crystal structure of the catalytic domain of human inositol 1,4,5-trisphosphate 3-kinase C
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate 3-kinase C
Authors:Hallberg, B.M, Ogg, D, Ehn, M, Graslund, S, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Persson, C, Sagemark, J, Schuler, H, Stenmark, P, Thorsell, A.-G, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2005-07-11
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the catalytic domain of human inositol 1,4,5-trisphosphate 3-kinase C
To be Published
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
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
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
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
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
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
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
3KVH
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BU of 3kvh by Molmil
Crystal structure of human protein syndesmos (NUDT16-like protein)
Descriptor: CHLORIDE ION, GLYCEROL, Protein syndesmos
Authors:Tresaugues, L, 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, Kallas, A, Karlberg, T, Kotenyova, T, Kotzsch, A, Kraulis, P, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Roos, A.K, Schuler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-11-30
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human protein syndesmos (NUDT16L1)
To be Published
3LS8
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BU of 3ls8 by Molmil
Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
Descriptor: 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kraulis, P, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van den Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-02-12
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
To be Published
3MCF
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BU of 3mcf by Molmil
Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 3-alpha
Descriptor: CITRATE ANION, Diphosphoinositol polyphosphate phosphohydrolase 3-alpha, GLYCEROL
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-03-29
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 3-alpha
To be Published
3KR7
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BU of 3kr7 by Molmil
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
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
3MHK
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BU of 3mhk by Molmil
Human tankyrase 2 - catalytic PARP domain in complex with 2-(2-pyridyl)-7,8-dihydro-5h-thiino[4,3-d]pyrimidin-4-ol
Descriptor: 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, 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, I, Kotenyova, T, Markova, N, 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, Structural Genomics Consortium (SGC)
Deposit date:2010-04-08
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
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

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