4BF1
 
 | | Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide | | 分子名称: | 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ... | | 著者 | Tars, K, Leitans, J, Zalubovskis, R. | | 登録日 | 2013-03-13 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | 5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
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6U4T
 | | Carbonic anhydrase 9 in complex with SB4197 | | 分子名称: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-08-26 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.356 Å) | | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6OUF
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6PGX
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6PEA
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6UX1
 | | Carbonic Anhydrase II Complexed with Salicylic Acid | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, ... | | 著者 | Andring, J.T, Combs, J.E, McKenna, R. | | 登録日 | 2019-11-06 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Aspirin: A Suicide Inhibitor of Carbonic Anhydrase II.
Biomolecules, 10, 2020
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5AML
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5JQT
 | | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 | | 分子名称: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, 2,1-benzoxaborol-1(3H)-ol, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | | 著者 | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | | 登録日 | 2016-05-05 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
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7NH8
 | | Crystal structure of human carbonic anhydrase II with N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide | | 分子名称: | Carbonic anhydrase 2, N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide, ZINC ION | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2021-02-10 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.369 Å) | | 主引用文献 | Synthesis of Azasugar-Sulfonamide conjugates and their Evaluation as Inhibitors of Carbonic Anhydrases: the Azasugar Approach to Selectivity
Eur.J.Org.Chem., 2021
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8FAL
 | | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione | | 分子名称: | 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Kohlbrand, A.J, Seo, H. | | 登録日 | 2022-11-28 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
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3RYZ
 | | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | | 分子名称: | Carbonic anhydrase 2, N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide, ZINC ION | | 著者 | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | | 登録日 | 2011-05-11 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
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6VKG
 | | Human carbonic anhydrase IX mimic with Epacadostat bound | | 分子名称: | N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, SULFATE ION, ZINC ION, ... | | 著者 | Peat, T.S, Carta, F, Supuran, C.T. | | 登録日 | 2020-01-20 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.
Bioorg.Chem., 97, 2020
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6XWZ
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6S03
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379 | | 分子名称: | 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2019-06-13 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
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3M1W
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3M14
 | | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide, ... | | 著者 | Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U. | | 登録日 | 2010-03-04 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
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5EH8
 | | human carbonic anhydrase II in complex with ligand | | 分子名称: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... | | 著者 | Ren, B. | | 登録日 | 2015-10-28 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.381 Å) | | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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7JOB
 | | 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
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7ZL6
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7JOC
 | | 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
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7SV8
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5VGY
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3RYJ
 | | Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide | | 分子名称: | 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.M. | | 登録日 | 2011-05-11 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
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5WLU
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3KIG
 | | Mutant carbonic anhydrase II in complex with an azide and an alkyne | | 分子名称: | 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G. | | 登録日 | 2009-11-02 | | 公開日 | 2010-11-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
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