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3P55	Human carbonic anhydrase II in complex with p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Salmon, A.J. Deposit date: 2010-10-07 Release date: 2011-10-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: 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 Descriptor: Carbonic anhydrase 2, ZINC ION, benzyl(methyl)carbamodithioic acid Authors: Aggarwal, M, McKenna, R. Deposit date: 2010-10-08 Release date: 2011-10-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.49 Å) Cite: 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 Descriptor: 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Aggarwal, M, McKenna, R. Deposit date: 2011-03-03 Release date: 2012-03-07 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.469 Å) Cite: 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 Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Biswas, S, McKenna, R. Deposit date: 2011-03-09 Release date: 2011-05-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.7 Å) Cite: 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 Descriptor: 4-(butylaminomethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Roose, B.W, Dmochowksi, I.J. Deposit date: 2015-11-03 Release date: 2016-01-06 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.34 Å) Cite: 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 Descriptor: 2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Roose, B.W, Dmochowski, I.J. Deposit date: 2015-11-03 Release date: 2016-01-06 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.33 Å) Cite: 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 Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Domsic, J.F, Robbins, A.H, McKenna, R. Deposit date: 2011-04-07 Release date: 2012-02-22 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.903 Å) Cite: 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 Descriptor: CHLORIDE ION, COPPER (II) ION, Carbonic anhydrase 2, ... Authors: Ferraroni, M, Scozzafava, A, Supuran, C.T. Deposit date: 2015-11-10 Release date: 2016-11-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 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 Descriptor: 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION Authors: Leitans, J, Tars, K, Zalubovskis, R. Deposit date: 2015-03-10 Release date: 2015-04-08 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 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 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, D-MALATE, ... Authors: Cuesta-Seijo, J.A, Borchert, M.S, Navarro-Poulsen, J.C, Schnorr, K.M, Leggio, L.L. Deposit date: 2010-12-21 Release date: 2011-03-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.703 Å) Cite: Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae To be Published
5BYI	Human carbonic anhydrase II with an azobenzene inhibitor (1d) Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Groll, M, Broichhagen, J. Deposit date: 2015-06-10 Release date: 2015-08-05 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.15 Å) Cite: 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 Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2015-10-28 Release date: 2016-11-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 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 Descriptor: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... Authors: Ren, B. Deposit date: 2015-10-29 Release date: 2016-03-09 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.392 Å) Cite: 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 Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION Authors: Avvaru, B.S, Mikulski, R, McKenna, R. Deposit date: 2011-04-19 Release date: 2012-02-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 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 Descriptor: (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ... Authors: Temperini, C, Maresca, A, Pochet, L, Masereel, B, Scozzafava, A, Supuran, C.T. Deposit date: 2015-05-26 Release date: 2015-07-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2 Å) Cite: 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 Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... Authors: Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. Deposit date: 2015-06-01 Release date: 2015-06-24 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.6 Å) Cite: 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 Descriptor: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION Authors: Aggarwal, M, Kovalevsky, A.Y, Fisher, S.Z, McKenna, R. Deposit date: 2015-06-25 Release date: 2016-07-20 Last modified: 2024-03-06 Method: NEUTRON DIFFRACTION (1.56 Å), X-RAY DIFFRACTION Cite: 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 Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Domsic, J.F, Robbins, A.H, McKenna, R. Deposit date: 2011-04-07 Release date: 2012-02-22 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 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 Descriptor: Carbonic anhydrase 2, GLYCEROL Authors: Kim, C.U, Park, S.Y, McKenna, R. Deposit date: 2015-09-17 Release date: 2016-05-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.4 Å) Cite: 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 Descriptor: 2'-(propan-2-yl)biphenyl-4-sulfonamide, Carbonic anhydrase 2, ZINC ION Authors: Ferraroni, M, Supuran, C.T. Deposit date: 2015-10-01 Release date: 2016-01-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 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 Descriptor: 1.7.6 4-methylpyrimidine-2-sulfonamide, Carbonic anhydrase 2, FORMIC ACID, ... Authors: Ren, B. Deposit date: 2015-10-28 Release date: 2016-03-09 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.207 Å) Cite: 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 Descriptor: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... Authors: Ren, B. Deposit date: 2015-10-29 Release date: 2016-03-09 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.208 Å) Cite: 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 Descriptor: 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Roose, B.W, Dmochowski, I.J. Deposit date: 2015-11-03 Release date: 2016-01-06 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.129 Å) Cite: 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 Descriptor: (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... Authors: Ren, B. Deposit date: 2015-10-28 Release date: 2016-03-09 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.381 Å) Cite: 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 Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Whitesides, G.M, Kang, K, Choi, J.-M, Fox, J.M. Deposit date: 2015-11-26 Release date: 2016-07-20 Last modified: 2016-07-27 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Acetylation of Surface Lysine Groups of a Protein Alters the Organization and Composition of Its Crystal Contacts. J.Phys.Chem.B, 120, 2016

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