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8EIR
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BU of 8eir by Molmil
SARS-CoV-2 polyprotein substrate regulates the stepwise Mpro cleavage reaction
分子名称: 3C-like proteinase nsp5, nsp7-nsp10 of Replicase polyprotein 1a
著者Narwal, M, Edwards, T, Armache, J.P, Murakami, K.S.
登録日2022-09-15
公開日2023-04-26
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献SARS-CoV-2 polyprotein substrate regulates the stepwise M pro cleavage reaction.
J.Biol.Chem., 299, 2023
8EKE
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BU of 8eke by Molmil
Cryo-EM structure of SARS CoV-2 Mpro WT protease
分子名称: 3C-like proteinase nsp5
著者Narwal, M, Edwards, T, Armache, J.P, Murakami, K.S.
登録日2022-09-20
公開日2023-04-26
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献SARS-CoV-2 polyprotein substrate regulates the stepwise M pro cleavage reaction.
J.Biol.Chem., 299, 2023
4ZTB
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BU of 4ztb by Molmil
Crystal structure of nsP2 protease from Chikungunya virus in P212121 space group at 2.59 A (4molecules/ASU).
分子名称: GLYCEROL, Protease nsP2
著者Narwal, M, Pratap, S, Singh, H, Kumar, P, Tomar, S.
登録日2015-05-14
公開日2016-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of chikungunya virus nsP2 cysteine protease reveals a putative flexible loop blocking its active site.
Int.J.Biol.Macromol., 116, 2018
5MZF
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BU of 5mzf by Molmil
Crystal structure of dog MTH1 protein
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P.
登録日2017-01-31
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
5MZG
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BU of 5mzg by Molmil
Crystal structure of mouse MTH1 in complex with TH588
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ...
著者Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P.
登録日2017-01-31
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
5MZE
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BU of 5mze by Molmil
Crystal structure of mouse MTH1 with 8-oxo-dGTP
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, COPPER (II) ION, ...
著者Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P.
登録日2017-01-31
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
3U9Y
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BU of 3u9y by Molmil
Crystal structure of human tankyrase 2 catalytic domain in complex with olaparib
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Lehtio, L.
登録日2011-10-20
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of selective inhibition of human tankyrases.
J.Med.Chem., 55, 2012
3U9H
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BU of 3u9h by Molmil
Complex structure of human tankyrase 2 with nicotinamide
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, NICOTINAMIDE, ...
著者Narwal, M, Lehtio, L.
登録日2011-10-19
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of selective inhibition of human tankyrases.
J.Med.Chem., 55, 2012
3UA9
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BU of 3ua9 by Molmil
Crystal structure of human tankyrase 2 in complex with a selective inhibitor
分子名称: 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, ...
著者Narwal, M, Lehtio, L.
登録日2011-10-21
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis of selective inhibition of human tankyrases.
J.Med.Chem., 55, 2012
4HKK
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BU of 4hkk by Molmil
Complex structure of human tankyrase 2 with apigenin
分子名称: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-15
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLK
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BU of 4hlk by Molmil
Crystal structure of Tankyrase 2 in complex with 4'-methylflavone
分子名称: 2-(4-methylphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLM
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BU of 4hlm by Molmil
Crystal structure of Tankyrase 2 in complex with 3',4'-Dihydroxyflavone
分子名称: 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HMH
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BU of 4hmh by Molmil
Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone
分子名称: 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-18
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLF
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BU of 4hlf by Molmil
Crystal structure of Tankyrase 2 in complex with 7,3',4'-Trihydroxyflavone
分子名称: 2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLG
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BU of 4hlg by Molmil
Crystal structure of Tankyrase 2 in complex with 3'-hydroxyflavone
分子名称: 2-(3-hydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HKI
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BU of 4hki by Molmil
Tankyrase 2 in complex with flavone
分子名称: 2-PHENYL-4H-CHROMEN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-15
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLH
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BU of 4hlh by Molmil
Crystal structure of Tankyrase 2 in complex with 4'-fluoroflavone
分子名称: 2-(4-fluorophenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HL5
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BU of 4hl5 by Molmil
Complex structure of human tankyrase 2 with 7-hydroxy -4'-methoxyflavone
分子名称: 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-16
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HKN
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BU of 4hkn by Molmil
Complex structure of human tankyrase 2 with luteolin
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, SULFATE ION, Tankyrase-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-15
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4KZU
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BU of 4kzu by Molmil
Crystal structure of human tankyrase 2 in complex with 4' -bromo flavone
分子名称: 2-(4-bromophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-30
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L09
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BU of 4l09 by Molmil
Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-4H-chromen-2-yl)benzoic acid
分子名称: 4-(4-oxo-4H-chromen-2-yl)benzoic acid, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-31
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L32
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BU of 4l32 by Molmil
Tankyrase 2 in complex with 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
分子名称: 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-05
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L31
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BU of 4l31 by Molmil
Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate
分子名称: GLYCEROL, SULFATE ION, Tankyrase-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-05
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L34
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BU of 4l34 by Molmil
Tankyrase 2 in complex with 4'-tetrazole flavone
分子名称: 2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-05
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4KZQ
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BU of 4kzq by Molmil
Crystal structure of human tankyrase 2 in complex with 4' -hydroxy flavone
分子名称: 2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, SULFATE ION, Tankyrase-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-30
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013

 

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