7OYM
 
 | | Carbonic anhydrase II in complex with Hit2 (MH65) | | 分子名称: | Carbonic anhydrase 2, Hit2 (MH65), ZINC ION | | 著者 | Kugler, M, Brynda, J, Rezacova, P. | | 登録日 | 2021-06-24 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
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4FRC
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4FPT
 | | 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
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4FU5
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5OGO
 | | Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2017-07-13 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To be published
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6YZK
 | | Carborane closo-pentyl-sulfonamide in complex with CA IX mimic | | 分子名称: | Carbonic anhydrase 2, Carborane closo-pentyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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2FOU
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6RIG
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4MTY
 | | Structure at 1A resolution of a helical aromatic foldamer-protein complex. | | 分子名称: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y. | | 登録日 | 2013-09-20 | | 公開日 | 2013-12-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution.
Angew.Chem.Int.Ed.Engl., 53, 2014
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8OKQ
 | | Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_2 | | 分子名称: | Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate | | 著者 | Brynda, J, Rezacova, P.M, Kudova, E. | | 登録日 | 2023-03-29 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
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5Y2R
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5LJT
 | | Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor | | 分子名称: | 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Ferraroni, M, Supuran, C. | | 登録日 | 2016-07-19 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
J. Med. Chem., 59, 2016
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6YZU
 | | Carborane nido-pentyl-sulfonamide in complex with CA II | | 分子名称: | Carbonic anhydrase 2, Carborane nido-pentyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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6RZX
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | | 分子名称: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, 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 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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4Q78
 | | Structure-assisted design of carborane-based inhibitors of carbonic anhydrase | | 分子名称: | 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | 著者 | Mader, P, Brynda, J, Rezacova, P. | | 登録日 | 2014-04-24 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Carborane-based carbonic anhydrase inhibitors: insight into CAII/CAIX specificity from a high-resolution crystal structure, modeling, and quantum chemical calculations.
Biomed Res Int, 2014, 2014
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6RL9
 | | Human Carbonic Anhydrase II in complex with 4-Aminobenzenesulfonamide | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, MERCURY (II) ION, ... | | 著者 | Gloeckner, S, Heine, A, Klebe, G. | | 登録日 | 2019-05-01 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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6SFQ
 | | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ... | | 著者 | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | 登録日 | 2019-08-02 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione
To Be Published
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6RIT
 | | Human Carbonic Anhydrase II in complex with 2-Fluorobenzenesulfonamide | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2-fluorobenzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Gloeckner, S, Heine, A, Klebe, G. | | 登録日 | 2019-04-25 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.007 Å) | | 主引用文献 | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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4YX4
 | | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | | 分子名称: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | | 著者 | Rechlin, C, Heine, A, Klebe, G. | | 登録日 | 2015-03-22 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
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6NJ3
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6G3Q
 | | Crystal structure of human carbonic anhydrase II in complex with the inhibitor famotidine | | 分子名称: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | | 著者 | Ferraroni, M, Supuran, C.T, Angeli, A. | | 登録日 | 2018-03-26 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
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2NNO
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6SAC
 | | N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... | | 著者 | Gloeckner, S, Heine, A, Klebe, G. | | 登録日 | 2019-07-16 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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6HR3
 | | Human Carbonic Anhydrase II in complex with 4-Propylbenzenesulfonamide | | 分子名称: | 4-propylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | 著者 | Gloeckner, S, Heine, A, Klebe, G. | | 登録日 | 2018-09-26 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
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6SDJ
 | | Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol | | 分子名称: | (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ... | | 著者 | Gloeckner, S, Heine, A, Klebe, G. | | 登録日 | 2019-07-27 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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