PDB: 1556 件ウェブページステータス検索Chemie searchBIRD

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3OKV	Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate 分子名称: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. 登録日 2010-08-25 公開日 2011-07-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3OIK	Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate 分子名称: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, Carbonic anhydrase 2, GLYCEROL, ... 著者 Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. 登録日 2010-08-19 公開日 2011-07-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3OKU	Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate 分子名称: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. 登録日 2010-08-25 公開日 2011-07-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3OIM	Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate 分子名称: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. 登録日 2010-08-19 公開日 2011-07-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3OIL	Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate 分子名称: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, ZINC ION 著者 Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. 登録日 2010-08-19 公開日 2011-07-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3RYY	Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase 分子名称: Carbonic anhydrase 2, N-propyl-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 (1.16 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
3RZ8	Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-hexyl-4-sulfamoylbenzamide, ... 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 (1.7 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
3RYX	Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase 分子名称: Carbonic anhydrase 2, N-(2,2,3,3,3-pentafluoropropyl)-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 (1.6 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
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
3LXE	Human Carbonic Anhydrase I in complex with topiramate 分子名称: Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate 著者 Alterio, V, De Simone, G, Monti, S.M, Truppo, E. 登録日 2010-02-25 公開日 2010-07-21 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex. Org.Biomol.Chem., 2010
3RZ0	Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase 分子名称: Carbonic anhydrase 2, N-butyl-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 (1.798 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
5A6H	Synthesis, carbonic anhydrase inhibition and protein X-ray structure of the unusual natural product primary sulfonamide Psammaplin C 分子名称: CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, PSAMMAPLIN C, ... 著者 Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S. 登録日 2015-06-26 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.57 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
4O1J	Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora. 分子名称: CHLORIDE ION, Carbonic anhydrase, ZINC ION 著者 Lehneck, R, Neumann, P, Vullo, D, Elleuche, S, Supuran, C.T, Ficner, R, Poggeler, S. 登録日 2013-12-16 公開日 2014-03-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.695 Å) 主引用文献 Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora. Febs J., 281, 2014
2AX2	Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II 分子名称: Carbonic anhydrase II, ZINC ION 著者 Budayova-Spano, M, Fisher, S.Z, Dauvergne, M.T, Silverman, D.N, Myles, D.A.A, McKenna, R.M. 登録日 2005-09-02 公開日 2006-01-03 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II. Acta Crystallogr.,Sect.F, 62, 2006
1YO1	Proton Transfer from His200 in Human Carbonic Anhydrase II 分子名称: Carbonic anhydrase II, SULFATE ION, ZINC ION 著者 Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N. 登録日 2005-01-26 公開日 2005-09-20 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Proton transfer in a Thr200His mutant of human carbonic anhydrase II Proteins, 61, 2005
3P58	Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid 分子名称: Carbonic anhydrase 2, ZINC ION, benzyl(methyl)carbamodithioic acid 著者 Aggarwal, M, McKenna, R. 登録日 2010-10-08 公開日 2011-10-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations. Chem.Commun.(Camb.), 48, 2012
1YO2	Proton Transfer from His200 in Human Carbonic Anhydrase II 分子名称: Carbonic anhydrase II, ZINC ION 著者 Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N. 登録日 2005-01-26 公開日 2005-09-20 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Proton transfer in a Thr200His mutant of human carbonic anhydrase II Proteins, 61, 2005
3DCS	Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties 分子名称: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION 著者 Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. 登録日 2008-06-04 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
3DAZ	Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties 分子名称: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION 著者 Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. 登録日 2008-05-30 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
3DC9	Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. 登録日 2008-06-03 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
1Z97	Human Carbonic Anhydrase III: Structural and Kinetic Study of Catalysis and Proton Transfer. 分子名称: Carbonic anhydrase III, ZINC ION 著者 Duda, D.M, Tu, C, Fisher, S.Z, An, H, Yoshioka, C, Govindasamy, L, Laipis, P.J, Agbandje-McKenna, M, Silverman, D.N, McKenna, R. 登録日 2005-03-31 公開日 2005-08-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Human Carbonic Anhydrase III: Structural and Kinetic Study of Catalysis and Proton Transfer Biochemistry, 44, 2005
1Z93	Human Carbonic Anhydrase III:Structural and Kinetic study of Catalysis and Proton Transfer. 分子名称: Carbonic anhydrase III, ZINC ION 著者 Duda, D.M, Tu, C, Fisher, S.Z, An, H, Yoshioka, C, Govindasamy, L, Laipis, P.J, Agbandje-McKenna, M, Silverman, D.N, McKenna, R. 登録日 2005-03-31 公開日 2005-08-09 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Human Carbonic Anhydrase III: Structural and Kinetic Study of Catalysis and Proton Transfer Biochemistry, 44, 2005
6GCY	Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex) 分子名称: Carbonic anhydrase 2, ZINC ION, [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside 著者 Fisher, S.Z, Koruza, K. 登録日 2018-04-20 公開日 2019-02-06 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION 主引用文献 Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative. J. Struct. Biol., 205, 2019
4ZWZ	Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... 著者 Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. 登録日 2015-05-19 公開日 2015-08-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
1CAN	CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, NITRATE ION 著者 Mangani, S, Hakansson, K. 登録日 1992-07-02 公開日 1994-01-31 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions. Eur.J.Biochem., 210, 1992

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