4L10
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![BU of 4l10 by Molmil](/molmil-images/mine/4l10) | Tankyrase 2 in complex with 4'-methoxy flavone | Descriptor: | 2-(4-methoxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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8BPW
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![BU of 8bpw by Molmil](/molmil-images/mine/8bpw) | Crystal structure of JAK2 JH1 in complex with lestaurtinib | Descriptor: | Lestaurtinib, Tyrosine-protein kinase JAK2 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-18 | Release date: | 2023-11-29 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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8BPV
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![BU of 8bpv by Molmil](/molmil-images/mine/8bpv) | Crystal structure of JAK2 JH1 in complex with pacritinib | Descriptor: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-18 | Release date: | 2023-11-29 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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8BM2
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![BU of 8bm2 by Molmil](/molmil-images/mine/8bm2) | Crystal structure of JAK2 JH1 in complex with gandotinib | Descriptor: | 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine, Tyrosine-protein kinase JAK2 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-10 | Release date: | 2023-11-22 | 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
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4L31
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![BU of 4l31 by Molmil](/molmil-images/mine/4l31) | Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate | Descriptor: | GLYCEROL, SULFATE ION, Tankyrase-2, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-05 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4KZU
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![BU of 4kzu by Molmil](/molmil-images/mine/4kzu) | Crystal structure of human tankyrase 2 in complex with 4' -bromo flavone | Descriptor: | 2-(4-bromophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-30 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L32
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![BU of 4l32 by Molmil](/molmil-images/mine/4l32) | Tankyrase 2 in complex with 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one | Descriptor: | 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-05 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L09
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![BU of 4l09 by Molmil](/molmil-images/mine/4l09) | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-4H-chromen-2-yl)benzoic acid | Descriptor: | 4-(4-oxo-4H-chromen-2-yl)benzoic acid, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-31 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L34
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![BU of 4l34 by Molmil](/molmil-images/mine/4l34) | Tankyrase 2 in complex with 4'-tetrazole flavone | Descriptor: | 2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-05 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4KZQ
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![BU of 4kzq by Molmil](/molmil-images/mine/4kzq) | Crystal structure of human tankyrase 2 in complex with 4' -hydroxy flavone | Descriptor: | 2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, SULFATE ION, Tankyrase-2, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-30 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4HKK
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![BU of 4hkk by Molmil](/molmil-images/mine/4hkk) | Complex structure of human tankyrase 2 with apigenin | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-15 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HLK
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![BU of 4hlk by Molmil](/molmil-images/mine/4hlk) | Crystal structure of Tankyrase 2 in complex with 4'-methylflavone | Descriptor: | 2-(4-methylphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-17 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HLM
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![BU of 4hlm by Molmil](/molmil-images/mine/4hlm) | Crystal structure of Tankyrase 2 in complex with 3',4'-Dihydroxyflavone | Descriptor: | 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-17 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HMH
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![BU of 4hmh by Molmil](/molmil-images/mine/4hmh) | Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone | Descriptor: | 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-18 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HLG
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![BU of 4hlg by Molmil](/molmil-images/mine/4hlg) | Crystal structure of Tankyrase 2 in complex with 3'-hydroxyflavone | Descriptor: | 2-(3-hydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-17 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HLF
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![BU of 4hlf by Molmil](/molmil-images/mine/4hlf) | Crystal structure of Tankyrase 2 in complex with 7,3',4'-Trihydroxyflavone | Descriptor: | 2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-17 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HKI
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![BU of 4hki by Molmil](/molmil-images/mine/4hki) | Tankyrase 2 in complex with flavone | Descriptor: | 2-PHENYL-4H-CHROMEN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-15 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HLH
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![BU of 4hlh by Molmil](/molmil-images/mine/4hlh) | Crystal structure of Tankyrase 2 in complex with 4'-fluoroflavone | Descriptor: | 2-(4-fluorophenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-17 | Release date: | 2012-10-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HKN
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![BU of 4hkn by Molmil](/molmil-images/mine/4hkn) | Complex structure of human tankyrase 2 with luteolin | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, SULFATE ION, Tankyrase-2, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-15 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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4HL5
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![BU of 4hl5 by Molmil](/molmil-images/mine/4hl5) | Complex structure of human tankyrase 2 with 7-hydroxy -4'-methoxyflavone | Descriptor: | 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2012-10-16 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Screening and structural analysis of flavones inhibiting tankyrases. J.Med.Chem., 56, 2013
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5OWT
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![BU of 5owt by Molmil](/molmil-images/mine/5owt) | Crystal structure of TNKS2 in complex with (5S)-5-methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione | Descriptor: | (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione, SULFATE ION, Tankyrase-2, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-09-04 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NSX
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![BU of 5nsx by Molmil](/molmil-images/mine/5nsx) | Crystal structure of TNKS2 in complex with 2-(1H-indazol-5-yl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-04-27 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NT4
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![BU of 5nt4 by Molmil](/molmil-images/mine/5nt4) | Crystal structure of TNKS2 in complex with 2-[4-(morpholin-4-yl)phenyl]-3,4-dihydroquinazolin-4-one | Descriptor: | 2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-04-27 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NUT
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![BU of 5nut by Molmil](/molmil-images/mine/5nut) | Crystal structure of TNKS2 in complex with 2-[4-(propan-2-yloxy)phenyl]-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-02 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NWG
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![BU of 5nwg by Molmil](/molmil-images/mine/5nwg) | Crystal structure of TNKS2 in complex with 7-chloro-2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-3,4-dihydroquinazolin-4-one | Descriptor: | 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-05 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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