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

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2ILI	Refine atomic structure of human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Fisher, S.Z. 登録日 2006-10-02 公開日 2007-06-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Atomic crystal and molecular dynamics simulation structures of human carbonic anhydrase II: insights into the proton transfer mechanism Biochemistry, 46, 2007
5UMC	Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography 分子名称: Carbonic anhydrase 2, GLYCEROL, UNKNOWN LIGAND, ... 著者 Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F. 登録日 2017-01-26 公開日 2017-12-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett, 8, 2017
4IDR	Human Carbonic Anhydrase II Proton Transfer Double Mutant 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Mikulski, R.M, West, D.M. 登録日 2012-12-13 公開日 2012-12-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II. Biochemistry, 52, 2013
7SV8	Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.388 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SUW	Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... 著者 McKenna, R, Combs, J.E. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.456 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SV1	Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.559 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SUY	Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.405 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
3E24	H. influenzae beta-carbonic anhydrase, variant W39F 分子名称: Carbonic anhydrase 2, PHOSPHATE ION, ZINC ION 著者 Rowlett, R.S, Lee, J. 登録日 2008-08-05 公開日 2009-06-02 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.301 Å) 主引用文献 Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase. Biochemistry, 48, 2009
3E3G	H. influenzae beta-carbonic anhydrase, variant G41A 分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION 著者 Rowlett, R.S, Failing, H. 登録日 2008-08-07 公開日 2009-08-18 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase . Biochemistry, 49, 2010
3E2X	H. influenzae beta-carbonic anhydrase, variant V47A 分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION 著者 Rowlett, R.S, Lee, J. 登録日 2008-08-06 公開日 2009-08-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase . Biochemistry, 49, 2010
3E31	H. influenzae beta-carbonic anhydrase, variant V47A 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Rowlett, R.S, Lee, J. 登録日 2008-08-05 公開日 2009-08-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase . Biochemistry, 49, 2010
1THK	Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II 分子名称: Carbonic anhydrase II, ZINC ION 著者 Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. 登録日 2004-06-01 公開日 2005-01-25 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
1TG9	Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II 分子名称: Carbonic anhydrase II, ZINC ION 著者 Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. 登録日 2004-05-28 公開日 2005-01-25 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
1TG3	Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II 分子名称: Carbonic anhydrase II, SULFATE ION, ZINC ION 著者 Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. 登録日 2004-05-28 公開日 2005-01-25 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
1TBT	Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II 分子名称: Carbonic anhydrase II, ZINC ION 著者 Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. 登録日 2004-05-20 公開日 2005-01-25 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II. Biochemistry, 44, 2005
1TH9	Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II 分子名称: Carbonic anhydrase II, SULFATE ION, ZINC ION 著者 Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. 登録日 2004-06-01 公開日 2005-01-25 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
1TEU	Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II 分子名称: Carbonic anhydrase II, ZINC ION 著者 Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. 登録日 2004-05-25 公開日 2005-01-25 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
9CA2	ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Alexander, R.S, Christianson, D.W. 登録日 1991-07-09 公開日 1992-07-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Engineering the hydrophobic pocket of carbonic anhydrase II. Biochemistry, 30, 1991
4R59	A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate 分子名称: (1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, McKenna, R. 登録日 2014-08-20 公開日 2014-10-15 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates. J.Med.Chem., 57, 2014
4RFC	Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate 分子名称: Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate 著者 Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. 登録日 2014-09-25 公開日 2015-04-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.645 Å) 主引用文献 A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
4RIV	A Carbonic Anhydrase IX Mimic in Complex with Saccharin 分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, McKenna, R. 登録日 2014-10-07 公開日 2015-02-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.631 Å) 主引用文献 Saccharin: A lead compound for structure-based drug design of carbonic anhydrase IX inhibitors. Bioorg.Med.Chem., 23, 2015
4R5B	Human Carbonic Anhydrase II in Complex with a Carbohydrate-Based Sulfamate 分子名称: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, McKenna, R. 登録日 2014-08-20 公開日 2014-10-15 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates. J.Med.Chem., 57, 2014
2X7T	Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. 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 Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. 登録日 2010-03-03 公開日 2010-03-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors. Biochemistry, 49, 2010
2X7S	Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. 分子名称: (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. 登録日 2010-03-03 公開日 2010-03-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Nonsteroidal Inhibitors. Biochemistry, 49, 2010
2X7U	Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. 分子名称: (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. 登録日 2010-03-03 公開日 2010-03-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors. Biochemistry, 49, 2010

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