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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
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
7QOB
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BU of 7qob by Molmil
Human Carbonic Anhydrase I in complex with benzoselenoate
分子名称: Carbonic anhydrase 1, ZINC ION, benzoselenoate
著者Angeli, A, Ferraroni, M.
登録日2021-12-23
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
7RNZ
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BU of 7rnz by Molmil
Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative
分子名称: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
6B5A
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BU of 6b5a by Molmil
Carbonic anhydrase IX-mimic in complex with nitrogenous base-bearing benezenesulfonamide
分子名称: 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, ZINC ION
著者Lomelino, C.L, McKenna, R.M.
登録日2017-09-28
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.622 Å)
主引用文献Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.
ACS Med Chem Lett, 8, 2017
6B59
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BU of 6b59 by Molmil
Carbonic anhydrase II in complex with nitrogenous base-bearing benezenesulfonamide
分子名称: 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L, McKenna, R.M.
登録日2017-09-28
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.638 Å)
主引用文献Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.
ACS Med Chem Lett, 8, 2017
3CYU
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BU of 3cyu by Molmil
Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon
分子名称: Carbonic anhydrase 2, MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-A, PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-A, ...
著者Aaron, J.A, Jude, K.M, Di Costanzo, L, Christianson, D.W.
登録日2008-04-26
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a 129Xe-cryptophane biosensor complexed with human carbonic anhydrase II.
J.Am.Chem.Soc., 130, 2008
2CBE
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BU of 2cbe by Molmil
STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES
分子名称: CARBONIC ANHYDRASE II
著者Hakansson, K, Carlsson, M, Svensson, L.A, Liljas, A.
登録日1992-06-01
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes.
J.Mol.Biol., 227, 1992
2CBD
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BU of 2cbd by Molmil
STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES
分子名称: CARBONIC ANHYDRASE II, SULFITE ION, ZINC ION
著者Hakansson, K, Carlsson, M, Svensson, L.A, Liljas, A.
登録日1992-06-01
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes.
J.Mol.Biol., 227, 1992
2CBC
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BU of 2cbc by Molmil
STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES
分子名称: CARBONIC ANHYDRASE II, FORMIC ACID, MERCURY (II) ION, ...
著者Hakansson, K, Carlsson, M, Svensson, L.A, Liljas, A.
登録日1992-06-01
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes.
J.Mol.Biol., 227, 1992
2CBB
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BU of 2cbb by Molmil
STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Hakansson, K, Carlsson, M, Svensson, L.A, Liljas, A.
登録日1992-06-01
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes.
J.Mol.Biol., 227, 1992
2CBA
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BU of 2cba by Molmil
STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Hakansson, K, Carlsson, M, Svensson, L.A, Liljas, A.
登録日1992-06-01
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structure of native and apo carbonic anhydrase II and structure of some of its anion-ligand complexes.
J.Mol.Biol., 227, 1992
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
6D2J
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BU of 6d2j by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
分子名称: Carbonic anhydrase, POTASSIUM 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2024-03-13
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
7RNY
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BU of 7rny by Molmil
Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative
分子名称: 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J, McKenna, R.
登録日2021-07-30
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
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
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
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
1RJ6
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BU of 1rj6 by Molmil
Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase XIV in Complex with Acetazolamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase XIV, ...
著者Whittington, D.A, Grubb, J.H, Waheed, A, Shah, G.N, Sly, W.S, Christianson, D.W.
登録日2003-11-18
公開日2004-03-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Expression, assay, and structure of the extracellular domain of murine carbonic anhydrase XIV: implications for selective inhibition of membrane-associated isozymes.
J.Biol.Chem., 279, 2004

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