Author results

4AGJ
  • Download 4agj
  • View 4agj
Molmil generated image of 4agj
CRYSTAL STRUCTURE OF THE CAPSID PROTEIN (110-267) FROM AURA VIRUS IN COMPLEX WITH DIOXANE
分子名称:CAPSID PROTEIN, 1,4-DIETHYLENE DIOXIDE
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2015-03-25
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
  • Download 4agk
  • View 4agk
Molmil generated image of 4agk
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2013-01-30
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
3QYK
  • Download 3qyk
  • View 3qyk
Molmil generated image of 3qyk
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH TRIPLE RING BENZENE SULFONAMIDE INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, 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2017-11-08
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
3V2J
  • Download 3v2j
  • View 3v2j
Molmil generated image of 3v2j
EFFECT OF SUCROSE AND GLYCEROL AS CRYOPROTECTANS, ON THE INHIBITION OF HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
著者Aggarwal, M., McKenna, A.
登録日2011-12-12
公開日2012-12-26
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
3V2M
  • Download 3v2m
  • View 3v2m
Molmil generated image of 3v2m
EFFECT OF SUCROSE AND GLYCEROL AS CRYOPROTECTANS, ON THE INHIBITION OF HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M., McKenna, A.
登録日2011-12-12
公開日2012-12-26
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
4DZ7
  • Download 4dz7
  • View 4dz7
Molmil generated image of 4dz7
HCA II IN COMPLEX WITH NOVEL SULFONAMIDE INHIBITORS SET D
分子名称:Carbonic anhydrase 2, ZINC ION, 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2017-11-15
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
  • Download 4dz9
  • View 4dz9
Molmil generated image of 4dz9
HCA II IN COMPLEX WITH NOVEL SULFONAMIDE INHIBITORS SET D
分子名称:Carbonic anhydrase 2, ZINC ION, 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2017-11-15
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
4HEW
  • Download 4hew
  • View 4hew
Molmil generated image of 4hew
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, ZINC ION, 2-METHYLIMIDAZOLE
著者Aggarwal, M., McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2014-08-20
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
4HEY
  • Download 4hey
  • View 4hey
Molmil generated image of 4hey
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, ZINC ION, 4-METHYLIMIDAZOLE
著者Aggarwal, M., McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2017-11-15
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
4HEZ
  • Download 4hez
  • View 4hez
Molmil generated image of 4hez
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, ZINC ION, 1-METHYLIMIDAZOLE
著者Aggarwal, M., McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2017-11-15
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
4HF3
  • Download 4hf3
  • View 4hf3
Molmil generated image of 4hf3
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, ZINC ION, IMIDAZOLE
著者Aggarwal, M., McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2017-11-15
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
4ITO
  • Download 4ito
  • View 4ito
Molmil generated image of 4ito
HUMAN CA II INHIBITION BY NOVEL SULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL, ...
著者Aggarwal, M., McKenna, R.
登録日2013-01-18
公開日2014-03-26
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
4UON
  • Download 4uon
  • View 4uon
Molmil generated image of 4uon
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2014-10-22
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
  • Download 5bq1
  • View 5bq1
Molmil generated image of 5bq1
CAPTURING CARBON DIOXIDE IN BETA CARBONIC ANHYDRASE
分子名称:Carbonic anhydrase, ZINC ION, CARBON DIOXIDE
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2017-09-06
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
  • Download 5c8i
  • View 5c8i
Molmil generated image of 5c8i
JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH METHAZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide
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2018-04-18
実験手法X-RAY DIFFRACTION (1.56 Å), NEUTRON 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
5G4B
  • Download 5g4b
  • View 5g4b
Molmil generated image of 5g4b
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2017-07-05
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
5WKN
  • Download 5wkn
  • View 5wkn
Molmil generated image of 5wkn
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2018-02-21
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
3OY0
  • Download 3oy0
  • View 3oy0
Molmil generated image of 3oy0
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:Carbonic anhydrase 2, ZINC ION, (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide, ...
著者Aggarwal, M., McKenna, R.
登録日2010-09-22
公開日2011-08-10
最終更新日2017-11-08
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
  • Download 3oyq
  • View 3oyq
Molmil generated image of 3oyq
STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
分子名称:Carbonic anhydrase 2, ZINC ION, (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide, ...
著者Aggarwal, M., McKenna, R.
登録日2010-09-23
公開日2011-08-10
最終更新日2017-11-08
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
  • Download 3oys
  • View 3oys
Molmil generated image of 3oys
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:Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Aggarwal, M., McKenna, R.
登録日2010-09-23
公開日2011-08-10
最終更新日2017-11-08
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
  • Download 3p58
  • View 3p58
Molmil generated image of 3p58
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2017-11-08
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
  • Download 3p5a
  • View 3p5a
Molmil generated image of 3p5a
HUMAN CARBONIC ANHYDRASE COMPLEXED WITH SODIUM MORPHOLINOCARBODITHIOATE
分子名称:Carbonic anhydrase 2, ZINC ION, morpholine-4-carbodithioic acid, ...
著者Aggarwal, M., McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2017-11-08
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
  • Download 3p5l
  • View 3p5l
Molmil generated image of 3p5l
HUMAN CARBONIC ANHYDRASE COMPLEXED WITH SODIUM 4-CYANO-4-PHENYLPIPERIDINE-1-CARBODITHIOATE
分子名称:Carbonic anhydrase 2, ZINC ION, 4-cyano-4-phenylpiperidine-1-carbodithioic acid, ...
著者Aggarwal, M., McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2017-11-08
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
6D2J
  • Download 6d2j
  • View 6d2j
Molmil generated image of 6d2j
BETA CARBONIC ANHYDRASE IN COMPLEX WITH THIOCYANATE
分子名称:Carbonic anhydrase, ZINC ION, THIOCYANATE 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2018-10-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2M
  • Download 6d2m
  • View 6d2m
Molmil generated image of 6d2m
BETA CARBONIC ANHYDRASE IN COMPLEX WITH THIOCYANATE
分子名称:Carbonic anhydrase, ZINC ION, IMIDAZOLE
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2018-10-24
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
<12>