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4RXY
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BU of 4rxy by Molmil
Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa
分子名称: Carbonic anhydrase, GLYCEROL, ZINC ION
著者Pinard, M.A, Mckenna, R.
登録日2014-12-12
公開日2015-06-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structure and inhibition studies of a type II beta-carbonic anhydrase psCA3 from Pseudomonas aeruginosa.
Bioorg.Med.Chem., 23, 2015
4RUY
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BU of 4ruy by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide
分子名称: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Pinard, M.A, Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
6EQU
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BU of 6equ by Molmil
X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor
分子名称: 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Alterio, V, De Simone, G, Esposito, D.
登録日2017-10-15
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor.
J Enzyme Inhib Med Chem, 33, 2018
4RUX
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BU of 4rux by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide
分子名称: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Pinard, M.A, Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4R59
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BU of 4r59 by Molmil
A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate
分子名称: (1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol, Carbonic anhydrase 2, 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2023-09-20
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
6G4T
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BU of 6g4t by Molmil
The crystal structure of uninhibited C183S/C217S mutant of human CA VII
分子名称: Carbonic anhydrase 7, ZINC ION
著者Di Fiore, A, D'Ambrosio, K, De Simone, G.
登録日2018-03-28
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior.
Int J Mol Sci, 19, 2018
7JO3
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BU of 7jo3 by Molmil
Carbonic Anhydrase IX Mimic 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 (1.454 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
7K6I
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BU of 7k6i by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide
分子名称: 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Andring, J.T, Singh, S, McKenna, R.
登録日2020-09-20
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.406 Å)
主引用文献Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6X
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BU of 7k6x by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
分子名称: 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Andring, J.T, Singh, S, McKenna, R.
登録日2020-09-21
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7JO1
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BU of 7jo1 by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide, ...
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 (1.499 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
7JOB
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BU of 7job by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, ...
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 (1.381 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
7K6K
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BU of 7k6k by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
分子名称: 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Andring, J.T, Singh, S, McKenna, R.
登録日2020-09-20
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.306 Å)
主引用文献Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6T
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BU of 7k6t by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide
分子名称: 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Andring, J.T, Singh, S, McKenna, R.
登録日2020-09-21
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6J
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BU of 7k6j by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
分子名称: 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Andring, J.T, Singh, S, McKenna, R.
登録日2020-09-20
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6U
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BU of 7k6u by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
分子名称: 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Andring, J.T, Singh, S, McKenna, R.
登録日2020-09-21
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.605 Å)
主引用文献Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6L
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BU of 7k6l by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide
分子名称: 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Andring, J.T, Singh, S, McKenna, R.
登録日2020-09-21
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
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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BU of 7jnr by Molmil
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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BU of 7jnw by Molmil
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
7K6Z
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BU of 7k6z by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide
分子名称: 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Andring, J.T, Singh, S, McKenna, R.
登録日2020-09-21
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.657 Å)
主引用文献Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021

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件を2024-09-25に公開中

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