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
|
|
5FPG
 | | 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
|
|
5FPF
 | | Crystal structure of human tankyrase 2 in complex with TA-91 | | Descriptor: | 4-[3-(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: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, Synthesis and Evaluation of Novel Dual- Binding Inhibitors of the Tankyrases and Wnt Signalling.
To be Published
|
|
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: | 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
|
|
5FSX
 | |
5FSV
 | |
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: | 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
 | | 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
|
|
2XJO
 | | 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
|
|
8BX6
 | | 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 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity.
J.Med.Chem., 67, 2024
|
|
8BXH
 | | 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 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity.
J.Med.Chem., 67, 2024
|
|
8BXC
 | | 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 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity.
J.Med.Chem., 67, 2024
|
|
8BX9
 | | 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 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity.
J.Med.Chem., 67, 2024
|
|
4BUS
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid | | Descriptor: | 2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-24 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
|
|
4BUA
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-(methylsulfanyl)phenyl)-3,4-dihydroquinazolin-4-one | | Descriptor: | 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
|
|
4BUW
 | | Crystal structure of human tankyrase 2 in complex with 2-(4-(2-oxo-1, 3-oxazolidin-3-yl)phenyl)-3,4-dihydroquinazolin-4-one | | Descriptor: | 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | | Deposit date: | 2013-06-24 | | Release date: | 2013-10-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
|
|
2WLA
 | | Streptococcus pyogenes Dpr | | Descriptor: | DPS-LIKE PEROXIDE RESISTANCE PROTEIN, GLYCEROL | | Authors: | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | | Deposit date: | 2009-06-23 | | Release date: | 2009-09-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Streptococcus Pyogenes Dpr Reveal a Dodecameric Iron-Binding Protein with a Ferroxidase Site.
J.Biol.Inorg.Chem., 15, 2010
|
|
2WLU
 | | Iron-bound crystal structure of Streptococcus pyogenes Dpr | | Descriptor: | DPS-LIKE PEROXIDE RESISTANCE PROTEIN, FE (III) ION, GLYCEROL, ... | | Authors: | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | | Deposit date: | 2009-06-26 | | Release date: | 2009-09-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal Structures of Streptococcus Pyogenes Dpr Reveal a Dodecameric Iron-Binding Protein with a Ferroxidase Site.
J.Biol.Inorg.Chem., 15, 2010
|
|
2XGW
 | | ZINC-BOUND CRYSTAL STRUCTURE OF STREPTOCOCCUS PYOGENES DPR | | Descriptor: | CHLORIDE ION, GLYCEROL, PEROXIDE RESISTANCE PROTEIN, ... | | Authors: | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | | Deposit date: | 2010-06-08 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Characterization and Biological Implications of Di-Zinc Binding in the Ferroxidase Center of Streptococcus Pyogenes Dpr.
Biochem.Biophys.Res.Commun., 398, 2010
|
|
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
|
|
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
|
|
8B99
 | | Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621 | | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, 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 (1.6 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
|
|
8B8U
 | |
8B9H
 | | 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
|
|
8B9E
 | | Crystal structure of JAK2 JH2-V617F 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: | 2022-10-05 | | 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
|
|
