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3RYZ	Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Descriptor: Carbonic anhydrase 2, N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide, ZINC ION Authors: Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. Deposit date: 2011-05-11 Release date: 2011-08-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
3RYY	Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Descriptor: Carbonic anhydrase 2, N-propyl-4-sulfamoylbenzamide, ZINC ION Authors: Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. Deposit date: 2011-05-11 Release date: 2011-08-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
3RYX	Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Descriptor: Carbonic anhydrase 2, N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide, ZINC ION Authors: Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. Deposit date: 2011-05-11 Release date: 2011-08-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
3RYV	Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide Descriptor: Carbonic anhydrase 2, N-ethyl-4-sulfamoylbenzamide, ZINC ION Authors: Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. Deposit date: 2011-05-11 Release date: 2011-08-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
3RYJ	Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide Descriptor: 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide, Carbonic anhydrase 2, ZINC ION Authors: Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.M. Deposit date: 2011-05-11 Release date: 2011-08-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase. J.Am.Chem.Soc., 133, 2011
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
3RJ7	Human carbonic anhydrase II complexed with its inhibitor rhenium(I)triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... Authors: Spingler, B, Can, D, Alberto, R. Deposit date: 2011-04-15 Release date: 2012-02-29 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.2 Å) Cite: [(Cp-R)M(CO)(3) ] (M=Re or (99m) Tc) Arylsulfonamide, Arylsulfamide, and Arylsulfamate Conjugates for Selective Targeting of Human Carbonic Anhydrase IX. Angew.Chem.Int.Ed.Engl., 51, 2012
3RGE	Crystal structure of the W5H mutant of human carbonic anhydrase II Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Domsic, J.F, Robbins, A.H, McKenna, R. Deposit date: 2011-04-08 Release date: 2012-02-22 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.096 Å) Cite: Structure and catalysis by carbonic anhydrase II: role of active-site tryptophan 5. Arch.Biochem.Biophys., 516, 2011
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
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
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
3R16	Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Biswas, S, McKenna, R, Supuran, C.T. Deposit date: 2011-03-09 Release date: 2011-05-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.6 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
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
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
3PYK	Human Carbonic Anhydrase II as Host for Pianostool Complexes Bearing a Sulfonamide Anchor Descriptor: Carbonic anhydrase 2, METHYL MERCURY ION, SULFATE ION, ... Authors: Heinisch, T, Schirmer, T. Deposit date: 2010-12-13 Release date: 2011-07-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Human Carbonic Anhydrase II as a host for piano-stool complexes bearing a sulfonamide anchor. Chem.Commun.(Camb.), 47, 2011
3PO6	Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide Descriptor: (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, ACETATE ION, ... Authors: Mader, P, Brynda, J, Gitto, R, Agnello, S, Ferro, S, De Luca, L, Vullo, D, Supuran, C.T, Chimirri, A. Deposit date: 2010-11-22 Release date: 2011-04-06 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides. J.Med.Chem., 54, 2011
3PJJ	Synthetic Dimer of Human Carbonic Anhydrase II Descriptor: 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione, Carbonic anhydrase 2, ZINC ION Authors: Snyder, P.W, Kwant, R.L, Moustakas, D.T, Mack, E.T, Butte, M.J, Whitesides, G.W. Deposit date: 2010-11-10 Release date: 2012-01-18 Last modified: 2019-07-17 Method: X-RAY DIFFRACTION (1.8 Å) Cite: One Interface Stabilizes Linear Chains in All Polymorphs of Crystals of Human Carbonic Anhydrase II To be Published
3P5L	Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate Descriptor: 4-cyano-4-phenylpiperidine-1-carbodithioic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Aggarwal, M, McKenna, R. Deposit date: 2010-10-08 Release date: 2011-10-19 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations. Chem.Commun.(Camb.), 48, 2012
3P5A	Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... 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 strongly inhibit carbonic anhydrases and show antiglaucoma action in vivo J.Med.Chem., 55, 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
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
3P4V	Human carbonic anhydrase II in complex with (+)-Xylariamide A Descriptor: 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine, Carbonic anhydrase 2, ZINC ION Authors: Hofmann, A, Nankervis, T, Davis, R. Deposit date: 2010-10-07 Release date: 2011-04-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases. J.Med.Chem., 54, 2011
3P44	Human carbonic anhydrase II in complex with p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Salmon, A.J. Deposit date: 2010-10-06 Release date: 2011-10-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Chem.Commun.(Camb.), 48, 2012
3P3J	Human carbonic anhydrase II in complex with p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Salmon, A.J. Deposit date: 2010-10-05 Release date: 2011-09-21 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Chem.Commun.(Camb.), 48, 2012
3P3H	Human carbonic anhydrase II in complex with p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... Authors: Salmon, A.J. Deposit date: 2010-10-04 Release date: 2011-09-28 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors. Chem.Commun.(Camb.), 48, 2012

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