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

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5DSL	Structure of CO2 released holo-form of human carbonic anhydrase II with 10 min warming 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2015-09-17 公開日 2016-05-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6OE1	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects 分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Peat, T.S. 登録日 2019-03-27 公開日 2019-06-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur.J.Med.Chem., 177, 2019
5WG7	Human Carbonic Anhydrase II complexed with AceK 分子名称: Acesulfame, Carbonic anhydrase 2, GLYCEROL, ... 著者 Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. 登録日 2017-07-13 公開日 2018-02-07 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms. J. Med. Chem., 61, 2018
4HEY	Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure 分子名称: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION 著者 Aggarwal, M, McKenna, R. 登録日 2012-10-04 公開日 2013-10-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. IUCrJ, 1, 2014
4YVY	Crystal structure of human carbonic anhydrase II in complex with hydroxylamine-O-sulfonamide, a molecule incorporating two zinc-binding groups. 分子名称: Carbonic anhydrase 2, ZINC ION, amino(aminooxy)sulfane dioxide 著者 Di Fiore, A, De Simone, G. 登録日 2015-03-20 公開日 2016-03-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 A VERSATILE ZINC-BINDING GROUP FOR CARBONIC ANHYDRASE INHIBITORS To Be Published
4YWP	Sucrose Binding Site in genetically engineered Carbonic anhydrase IX 分子名称: Carbonic anhydrase 2, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose 著者 Pinard, M.A, Aggarwal, M. 登録日 2015-03-20 公開日 2015-10-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX. Acta Crystallogr F Struct Biol Commun, 71, 2015
4Z0Q	Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) 分子名称: 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. 登録日 2015-03-26 公開日 2015-08-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur.J.Med.Chem., 102, 2015
7NZW	Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide 分子名称: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-03-24 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystal structure of chimeric carbonic anhydrase VA To Be Published
7RRF	Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C 分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, McKenna, R. 登録日 2021-08-09 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C To Be Published
8OLF	Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor BS1982 分子名称: Carbonic anhydrase 2, ZINC ION, [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate 著者 Brynda, J, Rezacova, P.M, Kudova, E. 登録日 2023-03-30 公開日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
8OMH	Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl (BS1982) 分子名称: Carbonic anhydrase 2, ZINC ION, [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate 著者 Brynda, J, Rezacova, P.M, Kudova, E. 登録日 2023-03-31 公開日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
4HT2	Crystal structure of human carbonic anhydrase isozyme XII with the inhibitor. 分子名称: 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2012-10-31 公開日 2013-04-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem., 21, 2013
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
8OKG	Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_13 分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate 著者 Brynda, J, Rezacova, P.M, Kudova, E. 登録日 2023-03-28 公開日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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
6H6S	Sad phasing on nickel-substituted human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, NICKEL (II) ION 著者 Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S. 登録日 2018-07-30 公開日 2019-01-09 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects? J. Biol. Inorg. Chem., 24, 2019
6QFV	Human carbonic anhydrase II with bound IrCp* complex (cofactor 8) to generate an artificial transfer hydrogenase (ATHase) 分子名称: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ... 著者 Rebelein, J.G. 登録日 2019-01-10 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
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
5LL9	Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2016-07-27 公開日 2017-08-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
5YUK	CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2017-11-22 公開日 2018-08-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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
5TY8	Identification of a New Zinc Binding Chemotype by Fragment Screening 分子名称: (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION 著者 Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. 登録日 2016-11-18 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
4E4A	Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors 分子名称: 2-sulfanylbenzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 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
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

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