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4UON
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BU of 4uon by Molmil
Crystal structure of C-terminal truncated (110-265) Aura virus capsid protease.
分子名称: CAPSID PROTEASE, GLYCEROL
著者Aggarwal, M, Kumar, P, Tomar, S.
登録日2014-06-05
公開日2014-06-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Trans-Protease Activity and Structural Insights Into the Active Form of the Alphavirus Capsid Protease.
J.Virol., 88, 2014
5BQ1
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BU of 5bq1 by Molmil
Capturing Carbon Dioxide in beta Carbonic Anhydrase
分子名称: CARBON DIOXIDE, Carbonic anhydrase, ZINC ION
著者Aggarwal, M, Chua, T.K, Pinard, M.A, Szebenyi, D.M, McKenna, R.
登録日2015-05-28
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Carbon Dioxide "Trapped" in a beta-Carbonic Anhydrase.
Biochemistry, 54, 2015
5C8I
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BU of 5c8i by Molmil
Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide
分子名称: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
著者Aggarwal, M, Kovalevsky, A.Y, Fisher, S.Z, McKenna, R.
登録日2015-06-25
公開日2016-07-20
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION
主引用文献Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug.
IUCrJ, 3, 2016
4AGJ
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BU of 4agj by Molmil
Crystal structure of the capsid protein (110-267) from Aura virus in complex with dioxane
分子名称: 1,4-DIETHYLENE DIOXIDE, CAPSID PROTEIN
著者Aggarwal, M, Kumar, P, Tomar, S.
登録日2012-01-30
公開日2012-12-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of Aura Virus Capsid Protease and its Complex with Dioxane: New Insights Into Capsid-Glycoprotein Molecular Contacts.
Plos One, 7, 2012
4AGK
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BU of 4agk by Molmil
Crystal structure of capsid protein (110-267) from Aura virus
分子名称: CAPSID PROTEIN
著者Aggarwal, M, Kumar, P, Tomar, S.
登録日2012-01-30
公開日2012-12-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal Structure of Aura Virus Capsid Protease and its Complex with Dioxane: New Insights Into Capsid-Glycoprotein Molecular Contacts
Plos One, 7, 2012
5G4B
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BU of 5g4b by Molmil
Crystal structure of Aura virus capsid protein in complex with piperazine.
分子名称: CAPSID PROTEIN, piperazine
著者Aggarwal, M, Kumar, P, Tomar, S.
登録日2016-05-08
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal Structure of Capsid Protein from Aura Virus in Complex with Piperazine
To be Published
4DZ7
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BU of 4dz7 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Aggarwal, M, McKenna, R.
登録日2012-02-29
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4DZ9
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BU of 4dz9 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
分子名称: 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2012-02-29
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4HEY
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BU of 4hey by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HEW
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BU of 4hew by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: 2-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6984 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HF3
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BU of 4hf3 by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: Carbonic anhydrase 2, IMIDAZOLE, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.1476 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HEZ
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BU of 4hez by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: 1-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3446 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4ITO
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BU of 4ito by Molmil
Human CA II inhibition by novel sulfonamide
分子名称: 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2013-01-18
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.162 Å)
主引用文献Human CA II inhibition by novel sulfonamide
To be Published
5WKN
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BU of 5wkn by Molmil
Crystal structure of the parainfluenza virus 5 nucleoprotein-phosphoprotein complex
分子名称: Nucleoprotein, Phosphoprotein
著者Aggarwal, M, Leser, G.P, Kors, C.A, Lamb, R.A.
登録日2017-07-25
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献Structure of the Paramyxovirus Parainfluenza Virus 5 Nucleoprotein in Complex with an Amino-Terminal Peptide of the Phosphoprotein.
J. Virol., 92, 2018
3V2M
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BU of 3v2m by Molmil
Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, A.
登録日2011-12-12
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.471 Å)
主引用文献Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
To be Published
3V2J
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BU of 3v2j by Molmil
Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, A.
登録日2011-12-12
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II
To be Published
3QYK
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BU of 3qyk by Molmil
Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor
分子名称: 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2011-03-03
公開日2012-03-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor
To be Published
6VAG
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BU of 6vag by Molmil
Crystal structure of the oligomerization domain of phosphoprotein from parainfluenza virus 5
分子名称: GLYCEROL, Phosphoprotein
著者Aggarwal, M, Abdella, R, He, Y, Lamb, R.A.
登録日2019-12-17
公開日2020-02-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of a paramyxovirus polymerase complex reveals a unique methyltransferase-CTD conformation.
Proc.Natl.Acad.Sci.USA, 117, 2020
3OY0
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BU of 3oy0 by Molmil
Human Carbonic Anhydrase II complexed with 1-(4-(4-(2-(ISOPROPYLSULFONYL)PHENYLAMINO)-1H-PYRROLO[2,3-B]PYRIDIN-6-YLAMINO)-3-METHOXYPHENYL)PIPERIDIN-4-OL
分子名称: (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-09-22
公開日2011-08-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
J.Med.Chem., 54, 2011
3OYQ
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BU of 3oyq by Molmil
Structure of Human Carbonic Anhydrase II complexed with 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
分子名称: (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-09-23
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
J.Med.Chem., 54, 2011
3OYS
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BU of 3oys by Molmil
Human Carbonic Anhydrase II complexed with 2-{[4-AMINO-3-(3-HYDROXYPROP-1-YN-1-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]METHYL}-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE
分子名称: 2-phenyl-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-09-23
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
J.Med.Chem., 54, 2011
3P58
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BU of 3p58 by Molmil
Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid
分子名称: Carbonic anhydrase 2, ZINC ION, benzyl(methyl)carbamodithioic acid
著者Aggarwal, M, McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations.
Chem.Commun.(Camb.), 48, 2012
3P5A
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BU of 3p5a by Molmil
Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Aggarwal, M, McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Dithiocarbamates strongly inhibit carbonic anhydrases and show antiglaucoma action in vivo
J.Med.Chem., 55, 2012
3P5L
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BU of 3p5l by Molmil
Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate
分子名称: 4-cyano-4-phenylpiperidine-1-carbodithioic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations.
Chem.Commun.(Camb.), 48, 2012
6D2M
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BU of 6d2m by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
分子名称: Carbonic anhydrase, IMIDAZOLE, ZINC ION
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018

 

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