PDB: 1334 件ウェブページステータス検索Chemie searchBIRD

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5FNI	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 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
5FNM	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, ZINC ION 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 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
5FNL	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 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
5FNG	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene, CARBONIC ANHYDRASE 2, ZINC ION 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.05 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
5FNJ	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: 2-(4-ethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, CHLORIDE ION, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.67 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
5FNK	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-11-15 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 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
5EZT	Peracetylated Bovine Carbonic Anhydrase II 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Whitesides, G.M, Kang, K, Choi, J.-M, Fox, J.M. 登録日 2015-11-26 公開日 2016-07-20 最終更新日 2016-07-27 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Acetylation of Surface Lysine Groups of a Protein Alters the Organization and Composition of Its Crystal Contacts. J.Phys.Chem.B, 120, 2016
5FDI	Crystal structure of Human Carbonic Anhydrase II with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog. 分子名称: 1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... 著者 Di Fiore, A, De Simone, G, Alterio, V, Riccio, V, Winum, J.-Y, Carta, F, Supuran, C.T. 登録日 2015-12-16 公開日 2016-05-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 The anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies. Org.Biomol.Chem., 14, 2016
5FDC	Crystal structure of Human Carbonic Anhydrase II in complex with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog. 分子名称: 3-[(sulfamoylamino)methyl]-1-benzothiophene, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... 著者 Di Fiore, A, De Simone, G, Alterio, V, Riccio, V, Winum, J.-Y, Carta, F, Supuran, C.T. 登録日 2015-12-16 公開日 2016-05-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 The anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies. Org.Biomol.Chem., 14, 2016
5HPJ	Photobacterium profundum alpha-carbonic anhydrase 分子名称: CHLORIDE ION, Carbonic anhydrase, ZINC ION 著者 Somalinga, V, Buhrman, G. 登録日 2016-01-20 公開日 2016-12-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 A High-Resolution Crystal Structure of a Psychrohalophilic alpha-Carbonic Anhydrase from Photobacterium profundum Reveals a Unique Dimer Interface. PLoS ONE, 11, 2016
5IPZ	Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide 分子名称: 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide, Carbonic anhydrase 4, ZINC ION 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2016-03-10 公開日 2017-03-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
5G03	An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C 分子名称: CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SULFATE ION, ... 著者 Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. 登録日 2016-03-16 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
5G01	An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C 分子名称: CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SODIUM ION, ... 著者 Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. 登録日 2016-03-16 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
5G0C	An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C 分子名称: CARBONIC ANHYDRASE 2, ETHANOL, SODIUM ION, ... 著者 Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. 登録日 2016-03-17 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
5G0B	An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C 分子名称: CARBONIC ANHYDRASE 2, CHLORIDE ION, GLYCEROL, ... 著者 Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. 登録日 2016-03-17 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
5J8Z	Human carbonic anhydrase II in complex with ligand 分子名称: (2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, (2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, Carbonic anhydrase 2, ... 著者 Alterio, V, De Simone, G. 登録日 2016-04-08 公開日 2016-06-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1,6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors. Bioorg.Med.Chem., 24, 2016
5JDV	Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-17 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
5JE7	Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-17 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
5JEH	Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-18 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
5JES	Human carbonic anhydrase II (V121T) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-18 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.205 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
5JEG	Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-18 公開日 2017-01-11 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
5JEP	Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-18 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
5JG5	Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-19 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
5JG3	Human carbonic anhydrase II (121T/N67Q) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-19 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
5JGT	Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide 分子名称: 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-20 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017

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