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PDB: 1335 件
4HBA
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Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Boone, C.D, Habibzadegan, A, McKenna, R.
登録日2012-09-27
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond.
Acta Crystallogr.,Sect.D, 69, 2013
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: 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
3VBD
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Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
分子名称: 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Mader, P, Brynda, J, Rezacova, P.
登録日2012-01-02
公開日2012-04-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
4HU1
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Crystal structure of human carbonic anhydrase isozyme XIII with the inhibitor.
分子名称: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2012-11-02
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.
Bioorg.Med.Chem., 21, 2013
4FRC
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BU of 4frc by Molmil
Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-26
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
7JOC
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BU of 7joc by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantanecarboxamide
分子名称: (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-06
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.385 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JNR
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Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide
分子名称: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.443 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JNW
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Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide
分子名称: 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.292 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JO2
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BU of 7jo2 by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide
分子名称: 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, ZINC ION
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JNV
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BU of 7jnv by Molmil
Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JNZ
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BU of 7jnz by Molmil
Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.289 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JNX
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BU of 7jnx by Molmil
Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide
分子名称: 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.286 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JO0
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BU of 7jo0 by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide
分子名称: Carbonic anhydrase 2, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ZINC ION
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.607 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
4FIK
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BU of 4fik by Molmil
Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products
分子名称: 2,4-dihydroxybenzenesulfenic acid, 4,4'-disulfanediyldibenzene-1,3-diol, 4-MERCAPTOBENZENE-1,3-DIOL, ...
著者Sippel, K.H, Genis, C, Govindasamy, L, Agbandje-McKenna, M, Tripp, B.C, McKenna, R.
登録日2012-06-08
公開日2012-06-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II.
J Phys Chem Lett, 1, 2010
4HT0
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BU of 4ht0 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with the inhibitor.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2012-10-31
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.
Bioorg.Med.Chem., 21, 2013
4HT2
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BU of 4ht2 by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with the inhibitor.
分子名称: 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 12, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2012-10-31
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.
Bioorg.Med.Chem., 21, 2013
3V3J
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BU of 3v3j by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
分子名称: Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Fisher, S.Z, McKenna, R.
登録日2011-12-13
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
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
3V3F
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BU of 3v3f by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
分子名称: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Fisher, S.Z, McKenna, R.
登録日2011-12-13
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
3UYQ
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BU of 3uyq by Molmil
HCA 3
分子名称: Carbonic anhydrase 3, ZINC ION
著者Fisher, Z, McKenna, R.
登録日2011-12-06
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
3V3G
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BU of 3v3g by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
分子名称: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Fisher, S.Z, McKenna, R.
登録日2011-12-13
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5581 Å)
主引用文献Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
4FL7
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BU of 4fl7 by Molmil
The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide
分子名称: BENZHYDROXAMIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2012-06-14
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 48, 2012
4FPT
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BU of 4fpt by Molmil
Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-22
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
3V5G
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Crystal structure of human carbonic anhydrase II in complex with the 4-sulfamido-benzenesulfonamide inhibitor
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, 4-(sulfamoylamino)benzenesulfonamide, Carbonic anhydrase 2, ...
著者D'Ambrosio, K, De Simone, G.
登録日2011-12-16
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups.
J.Med.Chem., 55, 2012
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

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件を2024-07-31に公開中

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