PDB: 1333 件ウェブページステータス検索Chemie searchBIRD

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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
4BF6	Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide 分子名称: 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Tars, K, Leitans, J, Zalubovskis, R. 登録日 2013-03-15 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.82 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
4JSW	Human carbonic anhydrase II H94C 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Martin, D.P, Hann, Z.S, Cohen, S.M. 登録日 2013-03-22 公開日 2013-06-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
4JSS	Human carbonic anhydrase II H94D bound to a bidentate inhibitor 分子名称: 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Martin, D.P, Hann, Z.S, Cohen, S.M. 登録日 2013-03-22 公開日 2013-06-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
4JSZ	Benzenesulfonamide bound to hCAII H94C 分子名称: Carbonic anhydrase 2, ZINC ION, benzenesulfonamide 著者 Martin, D.P, Hann, Z.S, Cohen, S.M. 登録日 2013-03-22 公開日 2013-06-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
4JS6	Crystal structure of inhibitor-free hCAII H94D 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION 著者 Martin, D.P, Hann, Z.S, Cohen, S.M. 登録日 2013-03-22 公開日 2013-06-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
4JSA	Benzenesulfonamide complexed with hCAII H94D 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE ION, ... 著者 Martin, D.P, Hann, Z.S, Cohen, S.M. 登録日 2013-03-22 公開日 2013-06-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
4K0Z	Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with methazolamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ... 著者 Biswas, S, McKenna, R. 登録日 2013-04-04 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Developing isoform specific inhibitors for hCAIX using CAIX mimic To be Published
4K13	Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with dorzolamide 分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Biswas, S, McKenna, R. 登録日 2013-04-04 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Developing isoform specific inhibitors for hCAIX using CAIX mimic To be Published
4K0T	Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with chlorzolamide 分子名称: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Biswas, S, McKenna, R. 登録日 2013-04-04 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Designing isoform specific inhibitors against hCAIX using CAIX mimic To be Published
4K0S	Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION 著者 Biswas, S, McKenna, R. 登録日 2013-04-04 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.802 Å) 主引用文献 Developing isoform specific inhibitors against hCAIX using CAIX mimic To be Published
4K1Q	Structure of hCAIX mimic (hCAII with 5 mutations in active site) 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Biswas, S, McKenna, R. 登録日 2013-04-05 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.699 Å) 主引用文献 Developing isoform specific inhibitors for hCAIX using CAIX mimic To be Published
4KAP	The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand 分子名称: 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Lange, H, Lockett, M.R, Breiten, B, Heroux, A, Sherman, W, Rappoport, D, Yau, P.O, Snyder, P.W, Whitesides, G.M. 登録日 2013-04-22 公開日 2013-07-10 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand. Angew.Chem.Int.Ed.Engl., 52, 2013
4KNI	Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-10 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4KNJ	Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-10 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4KNM	Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide 分子名称: 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 13, TRIETHYLENE GLYCOL, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-10 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4KNN	Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, ACETIC ACID, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-10 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.404 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4KP8	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 3-[(Pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 3-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-13 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4KP5	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-13 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4KUY	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(o-tolylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
4KV0	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-tosylureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies. Bioorg.Med.Chem., 22, 2014
4KUV	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
4KUW	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-fluorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
4L5W	Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Boone, C.D, Gill, S, McKenna, R. 登録日 2013-06-11 公開日 2014-04-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
4L5U	The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Boone, C.D, Gill, S, McKenna, R. 登録日 2013-06-11 公開日 2014-04-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013

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