2XKQ
 
 | | Crystal structure of Streptococcus suis Dpr with manganese | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | | Deposit date: | 2010-07-12 | | Release date: | 2010-11-24 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr.
J.Mol.Biol., 405, 2011
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5FSV
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5FSU
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5FSZ
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5FSY
 | | Crystal structure of Trypanosoma brucei macrodomain in complex with ADP-ribose | | Descriptor: | MACRODOMAIN, [(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: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2016-01-08 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Proximal Adp-Ribose Hydrolysis in Trypanosomatids is Catalyzed by a Macrodomain.
Sci.Rep., 6, 2016
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5FSX
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5ADT
 | | Crystal structure of human tankyrase 2 in complex with OD73 | | Descriptor: | BICARBONATE ION, N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2015-08-24 | | Release date: | 2016-01-13 | | Last modified: | 2016-01-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5ADR
 | | Crystal structure of human tankyrase 2 in complex with OD38 | | Descriptor: | BICARBONATE ION, N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2015-08-24 | | Release date: | 2016-01-13 | | Last modified: | 2016-01-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5ADQ
 | | Crystal structure of human tankyrase 2 in complex with JW55 | | Descriptor: | BICARBONATE ION, GLYCEROL, N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)furan-2-carboxamide, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2015-08-24 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5ADS
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4BR6
 | | Crystal structure of Chaetomium thermophilum MnSOD | | Descriptor: | GLYCEROL, MANGANESE (III) ION, SODIUM ION, ... | | Authors: | Haikarainen, T, Frioux, C, Zhnag, L.-Q, Li, D.-C, Papageorgiou, A.C. | | Deposit date: | 2013-06-04 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure and Biochemical Characterization of a Manganese Superoxide Dismutase from Chaetomium Thermophilum.
Biochim.Biophys.Acta, 1844, 2014
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4BJ9
 | | Crystal structure of human tankyrase 2 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, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-04-17 | | Release date: | 2013-12-11 | | Last modified: | 2014-06-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014
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4BFP
 | | Crystal structure of human tankyrase 2 in complex with WIKI4 | | Descriptor: | 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione, SULFATE ION, TANKYRASE-2, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-03-21 | | Release date: | 2013-06-19 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis and Selectivity of Tankyrase Inhibition by a Wnt Signaling Inhibitor Wiki4
Plos One, 8, 2013
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4BJB
 | | Crystal structure of human tankyrase 2 in complex with PJ-34 | | Descriptor: | GLYCEROL, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-04-17 | | Release date: | 2013-12-11 | | Last modified: | 2014-06-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors.
Acs Med.Chem.Lett., 5, 2014
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4BJC
 | | Crystal structure of human tankyrase 2 in complex with Rucaparib | | Descriptor: | Rucaparib, SULFATE ION, TANKYRASE-2, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-04-18 | | Release date: | 2013-12-11 | | Last modified: | 2014-06-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014
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4AVW
 | | Crystal structure of human tankyrase 2 in complex with TIQ-A | | Descriptor: | 4H-thieno[2,3-c]isoquinolin-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2012-05-29 | | Release date: | 2012-06-13 | | Last modified: | 2019-01-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014
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4AVU
 | | Crystal structure of human tankyrase 2 in complex with 6(5H)- phenanthridinone | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2012-05-29 | | Release date: | 2012-06-13 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014
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2XJN
 | | Crystal structure of Streptococcus suis Dpr with copper | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | | Deposit date: | 2010-07-06 | | Release date: | 2010-11-24 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr.
J.Mol.Biol., 405, 2011
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2XJM
 | | Crystal structure of Streptococcus suis Dpr with cobalt | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | | Deposit date: | 2010-07-06 | | Release date: | 2010-11-24 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr.
J.Mol.Biol., 405, 2011
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3ACS
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4UVY
 | | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one | | Descriptor: | 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-29 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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4UVX
 | | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one | | Descriptor: | 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2014-08-08 | | Release date: | 2015-07-29 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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4W5I
 | | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | | Descriptor: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-18 | | Release date: | 2015-06-10 | | Last modified: | 2015-06-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Bioorg.Med.Chem., 23, 2015
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8BA4
 | | Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib | | Descriptor: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2 | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8BA3
 | | Crystal structure of JAK2 JH2 in complex with Bemcentinib | | Descriptor: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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