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PDB: 42 件
6QN5
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BU of 6qn5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
分子名称: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
著者Leitans, J, Tars, K.
登録日2019-02-09
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QNG
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BU of 6qng by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide
著者Dvinskis, E, Leitans, J, Tars, K.
登録日2019-02-11
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
To Be Published
4Z22
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BU of 4z22 by Molmil
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor DR718A
分子名称: 2-amino-7-phenyl-3-{[(2R,5S)-5-phenyltetrahydrofuran-2-yl]methyl}quinazolin-4(3H)-one, Plasmepsin-2
著者Recacha, R, Leitans, J, Tars, K, Jaudzems, K.
登録日2015-03-28
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Fragment-Based Discovery of 2-Aminoquinazolin-4(3H)-ones As Novel Class Nonpeptidomimetic Inhibitors of the Plasmepsins I, II, and IV.
J.Med.Chem., 59, 2016
4YA8
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BU of 4ya8 by Molmil
structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor PG394
分子名称: GLYCEROL, N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide, Plasmepsin-2
著者Recacha, R, Leitans, J, Tars, K, Jaudzems, K.
登録日2015-02-17
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
6QN0
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BU of 6qn0 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
著者Dvinskis, E, Leitans, J, Tars, K.
登録日2019-02-08
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QNL
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BU of 6qnl by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
分子名称: Carbonic anhydrase 12, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
著者Dvinskis, E, Leitans, J, Tars, K.
登録日2019-02-11
公開日2020-03-04
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
4BHI
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BU of 4bhi by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate
分子名称: 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-04-03
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BHF
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BU of 4bhf by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate
分子名称: 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-04-02
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BGM
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BU of 4bgm by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1- aminium chloride
分子名称: 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-03-27
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BGK
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BU of 4bgk by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with (3-(Trimethylammonio)propyl)phosphinate
分子名称: GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-03-27
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4BG1
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BU of 4bg1 by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 1-(3-Carboxypropyl)-1-methylpyrrolidin-1-ium chloride
分子名称: 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-03-22
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4C5W
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BU of 4c5w by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Ethyldimethylammonio)butanoate
分子名称: GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-09-16
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
4CKU
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BU of 4cku by Molmil
Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor
分子名称: 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide, PLASMEPSIN-2
著者Tars, K, Leitans, J, Jaudzems, K.
登録日2014-01-08
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit.
Acs Med.Chem.Lett., 5, 2014
4BCW
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BU of 4bcw by Molmil
Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid
分子名称: (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Tars, K, Leitans, J, Kazaks, A.
登録日2012-10-03
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases.
J.Med.Chem., 56, 2013
4BF6
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BU of 4bf6 by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
分子名称: 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Tars, K, Leitans, J, Zalubovskis, R.
登録日2013-03-15
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
4BF1
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BU of 4bf1 by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
分子名称: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ...
著者Tars, K, Leitans, J, Zalubovskis, R.
登録日2013-03-13
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
4BHG
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BU of 4bhg by Molmil
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoate
分子名称: 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ...
著者Tars, K, Leitans, J, Kazaks, A.
登録日2013-04-02
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Three Dimensional Structure of Human Gamma-Butyrobetaine Hydroxylase in Complex with 3-(1-Ethyl-1,1-Dimethylhydrazin-1-Ium-2-Yl)Propanoate
To be Published
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件を2024-06-05に公開中

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