PDB: 1555 件ウェブページステータス検索Chemie searchBIRD

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2QP6	The crystal structure of the complex of hcaII with a bioreductive antitumor derivative 分子名称: 2-chloro-5-nitrobenzenesulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ... 著者 D'Ambrosio, K, De Simone, G. 登録日 2007-07-23 公開日 2008-06-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Carbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides with Selectivity for Targeting the Tumor Associated Isoforms IX and XII. J.Med.Chem., 51, 2008
2FNM	Activation of human carbonic anhdyrase II by exogenous proton donors 分子名称: ZINC ION, carbonic anhydrase 2 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
4FRC	Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-26 公開日 2013-07-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
4FPT	Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-22 公開日 2013-07-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
4FVN	Carbonic Anhydrase II in complex with N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-29 公開日 2013-07-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 HIgh resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
4FVO	Carbonic Anhydrase II in complex with N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-29 公開日 2013-07-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
5T71	Human carboanhydrase F131C_C206S double mutant in complex with SA-2 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-diazenyl]benzene-1-sulfonamide, ... 著者 DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. 登録日 2016-09-02 公開日 2017-09-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
5T74	Human carboanhydrase F131C_C206S double mutant in complex with 14 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, 4-(HYDROXYMERCURY)BENZOIC ACID, ... 著者 DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. 登録日 2016-09-02 公開日 2017-09-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
5T72	Human carboanhydrase F131C_C206S double mutant in complex with 2 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, ... 著者 DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. 登録日 2016-09-02 公開日 2017-09-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
4XZ5	Structure of the thermostable alpha-Carbonic Anydrase from Thiomicrospira crunogena XCL-2 gammaproteobacterium 分子名称: BICARBONATE ION, Carbonic anhydrase, alpha family, ... 著者 Mahon, B.P, Diaz-Torres, N.A, Pinard, M.A, McKenna, R. 登録日 2015-02-03 公開日 2015-07-29 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.596 Å) 主引用文献 Structural and biophysical characterization of the alpha-carbonic anhydrase from the gammaproteobacterium Thiomicrospira crunogena XCL-2: insights into engineering thermostable enzymes for CO2 sequestration. Acta Crystallogr.,Sect.D, 71, 2015
1G54	CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-30 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
1G53	CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-30 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
1G52	CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-30 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
1G4O	CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-BENZYL-4-SULFAMOYL-BENZAMIDE, ... 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-27 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
1G4J	CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-27 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
1G48	CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-26 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
1G46	CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-26 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
6GXB	Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13 分子名称: Carbonic anhydrase 2, ZINC ION, ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide 著者 Brynda, J, Rezacova, P, Pospisilova, K. 登録日 2018-06-27 公開日 2019-05-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms Acs Omega, 4, 2019
1G45	CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-26 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
1G3Z	CARBONIC ANHYDRASE II (F131V) 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-25 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
1G1D	CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... 著者 Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. 登録日 2000-10-11 公開日 2000-11-08 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II J.Am.Chem.Soc., 122, 2000
6YOL	Meta-Nidocarborane propyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Meta-Nidocarborane propyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-04-14 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
6YKH	Metala-Carborane di-ethyl-sulfonamide (cis isomer) in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-04-06 公開日 2020-09-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. Chempluschem, 86, 2021
6YOI	Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Meta-Carborane di-propyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-04-14 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
6YO7	Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic 分子名称: Carbonic anhydrase 2, Ortho-Carborane di-propyl-sulfonamide, ZINC ION 著者 Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. 登録日 2020-04-14 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020

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