Author results

4HEZ
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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
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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
4ILX
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STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH AN ADAMANTYL SULFONAMIDE INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL, ...
著者Biswas, S., McKenna, R.
登録日2013-01-01
公開日2013-02-13
最終更新日2013-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition.
Bioorg.Med.Chem., 21, 2013
4ITO
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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
4ITP
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STRUCTURE OF HUMAN CARBONIC ANHYDRASE II BOUND TO A BENZENE SULFONAMIDE
分子名称:Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Biswas, S., McKenna, R.
登録日2013-01-18
公開日2014-01-01
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Structural study of the location of the phenyl tail of benzene sulfonamides and the effect on human carbonic anhydrase inhibition.
Bioorg.Med.Chem., 21, 2013
4IWZ
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STRUCTURE OF HCAII IN COMPLEX WITH AN ACETAZOLAMIDE DERIVATIVE
分子名称:Carbonic anhydrase 2, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide, ZINC ION, ...
著者Biswas, S., McKenna, R.
登録日2013-01-24
公開日2013-12-11
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII.
Bioorg.Med.Chem.Lett., 23, 2013
4K0S
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STRUCTURE OF HCAIX MIMIC (HCAII WITH 5 MUTATIONS IN ACTIVE SITE) IN COMPLEX WITH ACETAZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
著者Biswas, S., McKenna, R.
登録日2013-04-04
公開日2014-04-09
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Developing isoform specific inhibitors against hCAIX using CAIX mimic
To be Published
4K0T
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STRUCTURE OF HCAIX MIMIC (HCAII WITH 5 MUTATIONS IN ACTIVE SITE) IN COMPLEX WITH CHLORZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
著者Biswas, S., McKenna, R.
登録日2013-04-04
公開日2014-04-09
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Designing isoform specific inhibitors against hCAIX using CAIX mimic
To be Published
4K0Z
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STRUCTURE OF HCAIX MIMIC (HCAII WITH 5 MUTATIONS IN ACTIVE SITE) IN COMPLEX WITH METHAZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
著者Biswas, S., McKenna, R.
登録日2013-04-04
公開日2014-04-09
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
4K13
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STRUCTURE OF HCAIX MIMIC (HCAII WITH 5 MUTATIONS IN ACTIVE SITE) IN COMPLEX WITH DORZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
著者Biswas, S., McKenna, R.
登録日2013-04-04
公開日2014-04-09
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
4K1Q
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STRUCTURE OF HCAIX MIMIC (HCAII WITH 5 MUTATIONS IN ACTIVE SITE)
分子名称:Carbonic anhydrase 2, ZINC ION
著者Biswas, S., McKenna, R.
登録日2013-04-05
公開日2014-04-09
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Developing isoform specific inhibitors for hCAIX using CAIX mimic
To be Published
4L5U
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THE STRUCTURAL IMPLICATIONS OF THE SECONDARY CO2 BINDING POCKET IN HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL
著者Boone, C.D., Gill, S., McKenna, R.
登録日2013-06-11
公開日2014-04-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
4L5V
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THE STRUCTURAL IMPLICATIONS OF THE SECONDARY CO2 BINDING POCKET IN HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL
著者Boone, C.D., Gill, S., McKenna, R.
登録日2013-06-11
公開日2014-04-30
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
4L5W
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STRUCTURAL IMPLICATIONS OF THE SECONDARY CO2 BINDING POCKET IN HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL
著者Boone, C.D., Gill, S., McKenna, R.
登録日2013-06-11
公開日2014-04-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
4M2R
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BRINZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
著者Pinard, M.P., Boone, C.D., Rife, B.D., Supuran, C.T., Mckenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4M2U
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CARBONIC ANHYDRASE II IN COMPLEX WITH DORZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
著者Pinard, M.P., Boone, C.D., Rife, B.D., Supuran, C.T., Mckenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4M2V
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GENETICALLY ENGINEERED CARBONIC ANHYDRASE IX IN COMPLEX WITH BRINZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
著者Pinard, M.P., Boone, C.D., Rife, B.D., Supuran, C.T., Mckenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4M2W
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GENETICALLY ENGINEERED CARBONIC ANHYDRASE IX IN COMPLEX WITH DORZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
著者Pinard, M.P., Boone, C.D., Rife, B.D., Supuran, C.T., McKenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.658 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4N16
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STRUCTURE OF CHOLATE BOUND TO HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, CHOLIC ACID, GLYCEROL, ...
著者Boone, C.D., McKenna, R.
登録日2013-10-03
公開日2014-06-18
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural elucidation of the hormonal inhibition mechanism of the bile acid cholate on human carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 70, 2014
4PXX
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CRYSTAL STRUCTURE OF A HIGHLY THERMAL STABILIZED VARIANT OF HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION, CHOLIC ACID, ...
著者Boone, C.D., Habibzadegan, A., McKenna, R.
登録日2014-03-25
公開日2015-06-10
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
TO BE PUBLISHED
4QGI
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X-RAY CRYSTAL STRUCTURE OF HIV-1 PROTEASE VARIANT G48T/L89M IN COMPLEX WITH SAQUINAVIR
分子名称:Protease, (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL
著者Mahon, B.P., McKenna, R., Goldfarb, N.
登録日2014-05-22
公開日2014-07-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency.
Biochemistry, 54, 2015
4QK1
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STRUCTURAL AND CATALYTIC EFFECTS OF PROLINE SUBSTITUTION AND SURFACE LOOP DELETION IN THE EXTENDED ACTIVE SITE OF HUMAN CARBONIC ANHYDRASE II - K170P
分子名称:Carbonic anhydrase 2, ZINC ION
著者Boone, C.D., Rasi, V., McKenna, R.
登録日2014-06-05
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
4QK2
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STRUCTURAL AND CATALYTIC EFFECTS OF PROLINE SUBSTITUTION AND SURFACE LOOP DELETION IN THE EXTENDED ACTIVE SITE OF HUMAN CARBONIC ANHYDRASE II - E234P
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL
著者Boone, C.D., Rasi, V., McKenna, R.
登録日2014-06-05
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.519 Å)
主引用文献Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
4QK3
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STRUCTURAL AND CATALYTIC EFFECTS OF PROLINE SUBSTITUTION AND SURFACE LOOP DELETION IN THE EXTENDED ACTIVE SITE OF HUMAN CARBONIC ANHYDRASE II - [DELTA]230-240
分子名称:Carbonic anhydrase 2, ZINC ION
著者Boone, C.D., Rasi, V., McKenna, R.
登録日2014-06-05
公開日2015-03-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.345 Å)
主引用文献Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
4R59
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A CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH A CARBOHYDRATE-BASED SULFAMATE
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL, ...
著者Mahon, B.P., McKenna, R.
登録日2014-08-20
公開日2014-10-15
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014