4ZTB
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![BU of 4ztb by Molmil](/molmil-images/mine/4ztb) | Crystal structure of nsP2 protease from Chikungunya virus in P212121 space group at 2.59 A (4molecules/ASU). | Descriptor: | GLYCEROL, Protease nsP2 | Authors: | Narwal, M, Pratap, S, Singh, H, Kumar, P, Tomar, S. | Deposit date: | 2015-05-14 | Release date: | 2016-06-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of chikungunya virus nsP2 cysteine protease reveals a putative flexible loop blocking its active site. Int.J.Biol.Macromol., 116, 2018
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8EIR
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![BU of 8eir by Molmil](/molmil-images/mine/8eir) | SARS-CoV-2 polyprotein substrate regulates the stepwise Mpro cleavage reaction | Descriptor: | 3C-like proteinase nsp5, nsp7-nsp10 of Replicase polyprotein 1a | Authors: | Narwal, M, Edwards, T, Armache, J.P, Murakami, K.S. | Deposit date: | 2022-09-15 | Release date: | 2023-04-26 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | SARS-CoV-2 polyprotein substrate regulates the stepwise M pro cleavage reaction. J.Biol.Chem., 299, 2023
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8EKE
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![BU of 8eke by Molmil](/molmil-images/mine/8eke) | |
5MZF
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![BU of 5mzf by Molmil](/molmil-images/mine/5mzf) | Crystal structure of dog MTH1 protein | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | Deposit date: | 2017-01-31 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry, 57, 2018
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5MZG
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![BU of 5mzg by Molmil](/molmil-images/mine/5mzg) | Crystal structure of mouse MTH1 in complex with TH588 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ... | Authors: | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | Deposit date: | 2017-01-31 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry, 57, 2018
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5MZE
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![BU of 5mze by Molmil](/molmil-images/mine/5mze) | Crystal structure of mouse MTH1 with 8-oxo-dGTP | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, COPPER (II) ION, ... | Authors: | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | Deposit date: | 2017-01-31 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry, 57, 2018
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3UA9
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![BU of 3ua9 by Molmil](/molmil-images/mine/3ua9) | Crystal structure of human tankyrase 2 in complex with a selective inhibitor | Descriptor: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Narwal, M, Lehtio, L. | Deposit date: | 2011-10-21 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis of selective inhibition of human tankyrases. J.Med.Chem., 55, 2012
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3U9H
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![BU of 3u9h by Molmil](/molmil-images/mine/3u9h) | |
3U9Y
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![BU of 3u9y by Molmil](/molmil-images/mine/3u9y) | |
4L0B
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![BU of 4l0b by Molmil](/molmil-images/mine/4l0b) | Tankyrase 2 in complex with 4'-dimethylamino flavone | Descriptor: | 2-[4-(dimethylamino)phenyl]-4H-chromen-4-one, 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 (1.8 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0V
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![BU of 4l0v by Molmil](/molmil-images/mine/4l0v) | Tankyrase 2 in complex with 4'-chloro flavone | Descriptor: | 2-(4-chlorophenyl)-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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4L2F
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![BU of 4l2f by Molmil](/molmil-images/mine/4l2f) | Tankyrase 2 in complex with 6-chloro flavone | Descriptor: | 6-chloro-2-phenyl-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-04 | 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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4L2K
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![BU of 4l2k by Molmil](/molmil-images/mine/4l2k) | Tankyrase 2 in complex with 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one | Descriptor: | 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-04 | 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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4L33
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![BU of 4l33 by Molmil](/molmil-images/mine/4l33) | Tankyrase 2 in complex with cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | Descriptor: | DI(HYDROXYETHYL)ETHER, 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 (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0I
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![BU of 4l0i by Molmil](/molmil-images/mine/4l0i) | Tankyrase 2 catalytic domain in complex with ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | Descriptor: | SULFATE ION, Tankyrase-2, ZINC 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 (2.3 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0T
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![BU of 4l0t by Molmil](/molmil-images/mine/4l0t) | Tankyrase 2 in complex with 4'-nitro flavone | Descriptor: | 2-(4-nitrophenyl)-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 (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L2G
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![BU of 4l2g by Molmil](/molmil-images/mine/4l2g) | Tankyrase 2 in complex with 6- fluoro flavone | Descriptor: | 6-fluoro-2-phenyl-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-04 | 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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4KZL
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![BU of 4kzl by Molmil](/molmil-images/mine/4kzl) | Crystal structure of human tankyrase 2 in complex with 4'-fluoro flavone | Descriptor: | 2-(4-fluorophenyl)-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 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0S
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![BU of 4l0s by Molmil](/molmil-images/mine/4l0s) | Tankyrase 2 in complex with 4'-cyano flavone | Descriptor: | 4-(4-oxo-4H-chromen-2-yl)benzonitrile, 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 (1.9 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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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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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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