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

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6YKC	Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic 分子名称: CA IX mimic, Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ... 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 (1.2 Å) 主引用文献 Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. Chempluschem, 86, 2021
6YQU	CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE 分子名称: 3~{H}-1,3-benzoxazole-2-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Alterio, V, De Simone, G, Esposito, D. 登録日 2020-04-18 公開日 2020-07-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.478 Å) 主引用文献 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site. Chem.Commun.(Camb.), 56, 2020
6YJ3	Metala-Carborane di-propyl-sulfonamide 分子名称: Carbonic anhydrase 2, Metala-Carborane di-propyl-sulfonamide, ZINC ION 著者 Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M. 登録日 2020-04-02 公開日 2020-09-09 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. Chempluschem, 86, 2021
4FU5	Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-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 2012-06-28 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 Anhzdrase II in complex with nonvel sulfamide binders To be Published
4G0C	Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding. 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION 著者 Fisher, S.Z, McKenna, R, Aggarwal, M. 登録日 2012-07-09 公開日 2012-09-19 最終更新日 2023-09-13 実験手法 NEUTRON DIFFRACTION (2 Å) 主引用文献 Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding. J.Am.Chem.Soc., 134, 2012
4KV0	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-tosylureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies. Bioorg.Med.Chem., 22, 2014
4KUV	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
4L5W	Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Boone, C.D, Gill, S, McKenna, R. 登録日 2013-06-11 公開日 2014-04-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
4KUW	Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-fluorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor 分子名称: 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ... 著者 Ferraroni, M. 登録日 2013-05-22 公開日 2014-06-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 New classes of carbonic anhydrase inhibitors to be published
4CNX	Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture 分子名称: CARBONIC ANHYDRASE 2, DI(HYDROXYETHYL)ETHER, ZINC ION 著者 Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. 登録日 2014-01-25 公開日 2015-02-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
4CNV	Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture 分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION 著者 Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. 登録日 2014-01-25 公開日 2015-02-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
4L5U	The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Boone, C.D, Gill, S, McKenna, R. 登録日 2013-06-11 公開日 2014-04-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
4CNR	Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture 分子名称: CARBONIC ANHYDRASE 2, ZINC ION 著者 Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. 登録日 2014-01-24 公開日 2015-02-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
4KP5	Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-13 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4K0T	Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with chlorzolamide 分子名称: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Biswas, S, McKenna, R. 登録日 2013-04-04 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Designing isoform specific inhibitors against hCAIX using CAIX mimic To be Published
4K0S	Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION 著者 Biswas, S, McKenna, R. 登録日 2013-04-04 公開日 2014-04-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.802 Å) 主引用文献 Developing isoform specific inhibitors against hCAIX using CAIX mimic To be Published
4FIK	Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products 分子名称: 2,4-dihydroxybenzenesulfenic acid, 4,4'-disulfanediyldibenzene-1,3-diol, 4-MERCAPTOBENZENE-1,3-DIOL, ... 著者 Sippel, K.H, Genis, C, Govindasamy, L, Agbandje-McKenna, M, Tripp, B.C, McKenna, R. 登録日 2012-06-08 公開日 2012-06-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II. J Phys Chem Lett, 1, 2010
4COQ	The complex of alpha-Carbonic anhydrase from Thermovibrio ammonificans with inhibitor sulfanilamide. 分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CARBONATE DEHYDRATASE, CHLORIDE ION, ... 著者 James, P, Isupov, M.N, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.A. 登録日 2014-01-30 公開日 2014-10-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability Acta Crystallogr.,Sect.D, 70, 2014
4CQ0	Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes 分子名称: 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ... 著者 Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. 登録日 2014-02-10 公開日 2014-04-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes. J.Med.Chem., 57, 2014
4GL1	Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant 分子名称: Carbonic anhydrase 2, ZINC ION 著者 West, D.M. 登録日 2012-08-13 公開日 2013-09-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases To be Published
4KNJ	Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-05-10 公開日 2013-11-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
4L5V	The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Boone, C.D, Gill, S, McKenna, R. 登録日 2013-06-11 公開日 2014-04-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
4LHI	Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide 分子名称: 5-(phenylsulfonyl)thiophene-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-07-01 公開日 2014-07-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide To be Published
4E49	Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, RESORCINOL, ... 著者 Cohen, S.M, Martin, D.P. 登録日 2012-03-12 公開日 2012-06-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Chem.Commun.(Camb.), 48, 2012
4E5Q	Human Carbonic Anhydrase II in complex with cyanate 分子名称: Carbonic anhydrase 2, ZINC ION, cyanic acid 著者 West, D, McKenna, R. 登録日 2012-03-14 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7024 Å) 主引用文献 Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest. Acta Crystallogr F Struct Biol Commun, 70, 2014

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