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PDB: 134 results

5FSX
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BU of 5fsx by Molmil
Crystal structure of Trypanosoma brucei macrodomain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MACRODOMAIN
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2016-01-08
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Proximal Adp-Ribose Hydrolysis in Trypanosomatids is Catalyzed by a Macrodomain.
Sci.Rep., 6, 2016
5FPG
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BU of 5fpg by Molmil
Crystal structure of human tankyrase 2 in complex with TA-92
Descriptor: 4-[3-(8-METHYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PROPANAMIDO]-N-(QUINOLIN-8-YL)BENZAMIDE, TANKYRASE-2, ZINC ION
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-11-30
Release date:2016-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design, Synthesis and Evaluation of Novel Dual- Binding Inhibitors of the Tankyrases and Wnt Signalling.
To be Published
8BX9
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BU of 8bx9 by Molmil
Crystal structure of JAK2 JH1 in complex with ilginatinib
Descriptor: DIMETHYL SULFOXIDE, Ilginatinib, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T.
Deposit date:2022-12-08
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis for JAK2 inhibition by clinical stage inhibitors
To Be Published
8BX6
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BU of 8bx6 by Molmil
Crystal structure of JAK2 JH1 in complex with cerdulatinib
Descriptor: Cerdulatinib, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T.
Deposit date:2022-12-08
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for JAK2 inhibition by clinical stage inhibitors
To Be Published
8BXC
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BU of 8bxc by Molmil
Crystal structure of JAK2 JH1 in complex with itacitinib
Descriptor: Itacitinib, MALONATE ION, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T.
Deposit date:2022-12-08
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for JAK2 inhibition by clinical stage inhibitors
To Be Published
8C08
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BU of 8c08 by Molmil
Crystal structure of JAK2 JH2-K539L
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Haikarainen, T.
Deposit date:2022-12-16
Release date:2023-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of JAK2 activation in erythropoietin receptor and pathogenic JAK2 signaling.
Sci Adv, 10, 2024
4UVW
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BU of 4uvw by Molmil
Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3- phenyl-1,2-dihydroisoquinolin-1-one
Descriptor: 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2014-08-08
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 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
4UVX
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BU of 4uvx by Molmil
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:2024-05-08
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
4UVY
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BU of 4uvy by Molmil
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:2024-05-08
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
4AVU
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BU of 4avu by Molmil
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:2024-05-08
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
4AVW
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BU of 4avw by Molmil
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:2024-05-08
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
2XKQ
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BU of 2xkq by Molmil
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:2024-05-08
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
4UVV
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BU of 4uvv by Molmil
Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one
Descriptor: 3-(4-chlorophenyl)-5-methylisoquinolin-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:2024-05-08
Method:X-RAY DIFFRACTION (1.9 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
4UVU
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BU of 4uvu by Molmil
Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium
Descriptor: 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-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:2024-05-08
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
2XJM
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BU of 2xjm by Molmil
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:2024-05-08
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
2XJN
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BU of 2xjn by Molmil
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:2024-05-08
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
8C09
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BU of 8c09 by Molmil
Crystal structure of JAK2 JH2-I559F
Descriptor: Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-12-16
Release date:2023-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis of JAK2 activation in erythropoietin receptor and pathogenic JAK2 signaling.
Sci Adv, 10, 2024
8C0A
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BU of 8c0a by Molmil
Crystal structure of JAK2 JH2-R683S
Descriptor: 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-12-16
Release date:2023-12-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis of JAK2 activation in erythropoietin receptor and pathogenic JAK2 signaling.
Sci Adv, 10, 2024
4UI5
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BU of 4ui5 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-41
Descriptor: 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
8BXH
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BU of 8bxh by Molmil
Crystal structure of JAK2 JH1 in complex with momelotinib
Descriptor: MALONATE ION, Momelotinib, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T.
Deposit date:2022-12-08
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for JAK2 inhibition by clinical stage inhibitors
To Be Published
2XJO
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BU of 2xjo by Molmil
Crystal structure of Streptococcus suis Dpr with nickel
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:2024-05-08
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
8BAB
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BU of 8bab by Molmil
Crystal structure of JAK2 JH2-V617F in complex with CB76
Descriptor: 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-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 (1.55 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BAK
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BU of 8bak by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Reversine
Descriptor: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-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 (1.65 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B9H
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BU of 8b9h by Molmil
Crystal structure of JAK2 JH2 in complex with Z902-A3
Descriptor: 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-06
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B8U
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BU of 8b8u by Molmil
Crystal structure of JAK2 JH2-V617F in complex with HTS-A3
Descriptor: 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Haikarainen, T, Silvennoinen, O.
Deposit date:2022-10-05
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023

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PDB entries from 2024-06-12

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