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

---

3P55	Human carbonic anhydrase II in complex with p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... 著者 Salmon, A.J. 登録日 2010-10-07 公開日 2011-10-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Chem.Commun.(Camb.), 48, 2012
3P58	Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid 分子名称: Carbonic anhydrase 2, ZINC ION, benzyl(methyl)carbamodithioic acid 著者 Aggarwal, M, McKenna, R. 登録日 2010-10-08 公開日 2011-10-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations. Chem.Commun.(Camb.), 48, 2012
3QYK	Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor 分子名称: 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Aggarwal, M, McKenna, R. 登録日 2011-03-03 公開日 2012-03-07 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.469 Å) 主引用文献 Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor To be Published
3R17	hCarbonic anhydrase II bound to N-(2-fluoro.4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Biswas, S, McKenna, R. 登録日 2011-03-09 公開日 2011-05-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms. Bioorg.Med.Chem., 19, 2011
5EKH	Human Carbonic Anhydrase II complexed with a two-faced guest 分子名称: 4-(butylaminomethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Roose, B.W, Dmochowksi, I.J. 登録日 2015-11-03 公開日 2016-01-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR. Angew.Chem.Int.Ed.Engl., 55, 2016
5EKM	Human Carbonic Anhydrase II complexed with a two-faced guest 分子名称: 2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Roose, B.W, Dmochowski, I.J. 登録日 2015-11-03 公開日 2016-01-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR. Angew.Chem.Int.Ed.Engl., 55, 2016
3RG3	Crystal structure of the W5E mutant of human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Domsic, J.F, Robbins, A.H, McKenna, R. 登録日 2011-04-07 公開日 2012-02-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.903 Å) 主引用文献 Structure and catalysis by carbonic anhydrase II: role of active-site tryptophan 5. Arch.Biochem.Biophys., 516, 2011
5EOI	Crystal structure of copper bound human Carbonic anhydrase II 分子名称: CHLORIDE ION, COPPER (II) ION, Carbonic anhydrase 2, ... 著者 Ferraroni, M, Scozzafava, A, Supuran, C.T. 登録日 2015-11-10 公開日 2016-11-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of copper bound human Carbonic anhydrase II to be published
5AMD	Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid 分子名称: 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION 著者 Leitans, J, Tars, K, Zalubovskis, R. 登録日 2015-03-10 公開日 2015-04-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors. Chem.Commun.(Camb.), 51, 2015
3Q31	Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, D-MALATE, ... 著者 Cuesta-Seijo, J.A, Borchert, M.S, Navarro-Poulsen, J.C, Schnorr, K.M, Leggio, L.L. 登録日 2010-12-21 公開日 2011-03-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.703 Å) 主引用文献 Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae To be Published
5BYI	Human carbonic anhydrase II with an azobenzene inhibitor (1d) 分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Groll, M, Broichhagen, J. 登録日 2015-06-10 公開日 2015-08-05 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Azobenzene-based inhibitors of human carbonic anhydrase II. Beilstein J Org Chem, 11, 2015
5EHE	Crystal structure of human carbonic anhydrase isozyme II with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2015-10-28 公開日 2016-11-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
5EHW	human carbonic anhydrase II in complex with ligand 分子名称: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B. 登録日 2015-10-29 公開日 2016-03-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.392 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
3RLD	Crystal structure of the Y7I mutant of human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION 著者 Avvaru, B.S, Mikulski, R, McKenna, R. 登録日 2011-04-19 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Kinetic and crystallographic studies of the role of tyrosine 7 in the active site of human carbonic anhydrase II. Arch.Biochem.Biophys., 506, 2011
5BNL	Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins 分子名称: (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ... 著者 Temperini, C, Maresca, A, Pochet, L, Masereel, B, Scozzafava, A, Supuran, C.T. 登録日 2015-05-26 公開日 2015-07-15 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins. J.Med.Chem., 53, 2010
5BRU	Catalytic Improvement of an Artificial Metalloenzyme by Computational Design 分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... 著者 Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. 登録日 2015-06-01 公開日 2015-06-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
5C8I	Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide 分子名称: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION 著者 Aggarwal, M, Kovalevsky, A.Y, Fisher, S.Z, McKenna, R. 登録日 2015-06-25 公開日 2016-07-20 最終更新日 2024-03-06 実験手法 NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION 主引用文献 Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug. IUCrJ, 3, 2016
3RG4	Crystal structure of the W5F mutant of human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Domsic, J.F, Robbins, A.H, McKenna, R. 登録日 2011-04-07 公開日 2012-02-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure and catalysis by carbonic anhydrase II: role of active-site tryptophan 5. Arch.Biochem.Biophys., 516, 2011
5DSP	Structure of CO2 released apo-form of human carbonic anhydrase II with 40 sec warming 分子名称: Carbonic anhydrase 2, GLYCEROL 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 (1.4 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
5E2S	Crystal structure of human carbonic anhydrase II in complex with the 4-(2-iso-propylphenyl)benzenesulfonamide inhibitor 分子名称: 2'-(propan-2-yl)biphenyl-4-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Ferraroni, M, Supuran, C.T. 登録日 2015-10-01 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies. J.Med.Chem., 59, 2016
5EH5	human carbonic anhydrase II in complex with ligand 分子名称: 1.7.6 4-methylpyrimidine-2-sulfonamide, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B. 登録日 2015-10-28 公開日 2016-03-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.207 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5EHV	human carbonic anhydrase II in complex with ligand 分子名称: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B. 登録日 2015-10-29 公開日 2016-03-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.208 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5EKJ	Human Carbonic Anhydrase II complexed with a two-faced guest 分子名称: 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Roose, B.W, Dmochowski, I.J. 登録日 2015-11-03 公開日 2016-01-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.129 Å) 主引用文献 Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR. Angew.Chem.Int.Ed.Engl., 55, 2016
5EH8	human carbonic anhydrase II in complex with ligand 分子名称: (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... 著者 Ren, B. 登録日 2015-10-28 公開日 2016-03-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.381 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5EZT	Peracetylated Bovine Carbonic Anhydrase II 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Whitesides, G.M, Kang, K, Choi, J.-M, Fox, J.M. 登録日 2015-11-26 公開日 2016-07-20 最終更新日 2016-07-27 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Acetylation of Surface Lysine Groups of a Protein Alters the Organization and Composition of Its Crystal Contacts. J.Phys.Chem.B, 120, 2016

<34353637383940414243444546474849>