PDB: 1553 件ウェブページステータス検索Chemie searchBIRD

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3UCM	Coccomyxa beta-carbonic anhydrase in complex with thiocyanate 分子名称: Carbonic anhydrase, THIOCYANATE ION, ZINC ION 著者 Huang, S, Hainzl, T, Sauer-Eriksson, A.E. 登録日 2011-10-27 公開日 2011-11-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.513 Å) 主引用文献 Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide. Plos One, 6, 2011
3UCO	Coccomyxa beta-carbonic anhydrase in complex with iodide 分子名称: Carbonic anhydrase, IODIDE ION, ZINC ION 著者 Huang, S, Hainzl, T, Sauer-Eriksson, A.E. 登録日 2011-10-27 公開日 2011-11-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide. Plos One, 6, 2011
6LUY	Zn- Carbonic Anhydrase II pH 11.0 0 atm CO2 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Kim, J.K. 登録日 2020-02-02 公開日 2020-08-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
6LV5	Ni- Carbonic Anhydrase II pH 7.8 0 atm CO2 分子名称: Carbonic anhydrase 2, GLYCEROL, NICKEL (II) ION 著者 Kim, C.U, Kim, J.K. 登録日 2020-02-02 公開日 2020-08-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
3TVN	Human Carbonic Anhydrase II Proton Transfer Mutant 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Mikulski, R.L, West, D.M, Sippel, K.H, Avvaru, B.S, Chingkuang, T, McKenna, R. 登録日 2011-09-20 公開日 2012-08-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.497 Å) 主引用文献 Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II. Biochemistry, 52, 2013
3TVO	Human Carbonic Anhydrase II Proton Transfer Double Mutant 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Mikulski, R.M. 登録日 2011-09-20 公開日 2012-08-08 最終更新日 2023-09-13 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
4MO8	The crystal structure of the human carbonic anhydrase II in complex with N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide 分子名称: Carbonic anhydrase 2, N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide, ZINC ION 著者 Alterio, V, De Simone, G. 登録日 2013-09-11 公開日 2013-10-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Hypoxia-Targeting Carbonic Anhydrase IX Inhibitors by a New Series of Nitroimidazole-Sulfonamides/Sulfamides/Sulfamates. J.Med.Chem., 56, 2013
5JJ8	Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa - alternate crystal packing form 分子名称: Carbonic anhydrase, ZINC ION 著者 Pinard, M.A, Kurian, J.J, Aggarwal, M, Agbandje-McKenna, M, McKenna, R. 登録日 2016-04-22 公開日 2016-07-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.585 Å) 主引用文献 Cryoannealing-induced space-group transition of crystals of the carbonic anhydrase psCA3. Acta Crystallogr.,Sect.F, 72, 2016
8CA2	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 (2.4 Å) 主引用文献 Engineering the hydrophobic pocket of carbonic anhydrase II. Biochemistry, 30, 1991
3KNE	Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide, ... 著者 Schulze-Wischeler, J, Heine, A, Klebe, G. 登録日 2009-11-12 公開日 2011-05-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry. Chemistry, 17, 2011
3KS3	High resolution structure of Human Carbonic Anhydrase II at 0.9 A 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Avvaru, B.S. 登録日 2009-11-20 公開日 2010-01-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (0.9 Å) 主引用文献 A short, strong hydrogen bond in the active site of human carbonic anhydrase II. Biochemistry, 49, 2010
3KKX	Neutron structure of human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Fisher, S.Z, Langan, P.A. 登録日 2009-11-06 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 NEUTRON DIFFRACTION (2 Å) 主引用文献 Neutron structure of human carbonic anhydrase II: implications for proton transfer. Biochemistry, 49, 2010
2FOQ	Human Carbonic Anhydrase II complexed with two-prong inhibitors 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... 著者 Jude, K.M, Christianson, D.W. 登録日 2006-01-13 公開日 2006-02-28 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc., 128, 2006
2FNK	Activation of Human Carbonic Anhydrase II by exogenous proton donors 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. 登録日 2006-01-11 公開日 2006-11-28 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Location of binding sites in small molecule rescue of human carbonic anhydrase II. Biophys.J., 92, 2007
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
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
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
5TFX	New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase 分子名称: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide, ... 著者 Peat, T.S, Supuran, C. 登録日 2016-09-26 公開日 2017-08-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors. Org. Biomol. Chem., 14, 2016
2FOY	Human Carbonic Anhydrase I complexed with a two-prong inhibitor 分子名称: Carbonic anhydrase 1, ZINC ION, {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER 著者 Jude, K.M, Banerjee, A.L, Haldar, M.K, Manokaran, S, Roy, B, Mallik, S, Srivastava, D.K, Christianson, D.W. 登録日 2006-01-14 公開日 2006-04-04 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc., 128, 2006
7MU3	human carbonic anhydrase 9 mimic with compound 分子名称: Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ... 著者 Peat, T.S. 登録日 2021-05-14 公開日 2021-08-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors. Bioorg.Med.Chem.Lett., 49, 2021
8FR2	Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h 分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Combs, J.C, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.307 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
8FQY	Carbonic Anhydrase II in complex with the alkyl urea 3h 分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Combs, J.C, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.466 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
8FR1	Carbonic Anhydrase IX in complex with the alkyl urea compound 3g 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ... 著者 Combs, J.C, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
8FQX	Carbonic Anhydrase II in complex with the alkyl ureas 3g 分子名称: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Combs, J.E, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.496 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023

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