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3MHM	Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide Descriptor: 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Grazulis, S, Manakova, E, Golovenko, D. Deposit date: 2010-04-08 Release date: 2010-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
3M96	Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide Descriptor: 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Grazulis, S, Manakova, E, Golovenko, D. Deposit date: 2010-03-20 Release date: 2011-02-02 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII. Bioorg.Med.Chem., 18, 2010
3NJ9	Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor Descriptor: 3-(4-sulfamoylphenyl)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethyl]-6-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide, Carbonic anhydrase 2, MERCURY (II) ION, ... Authors: Temperini, C, Cecchi, A. Deposit date: 2010-06-17 Release date: 2011-06-22 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor To be Published
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
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
3N3J	Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor Descriptor: 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. Deposit date: 2010-05-20 Release date: 2011-03-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
3M5S	Carbonic Anhydrase II mutant H64C in complex with carbonate Descriptor: CARBONATE ION, Carbonic anhydrase 2, ZINC ION Authors: Schulze Wischeler, J, Heine, A, Klebe, G. Deposit date: 2010-03-13 Release date: 2011-05-25 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Mutational study on Carbonic Anhydrase II TO BE PUBLISHED
3M67	Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide Descriptor: 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Grazulis, S, Manakova, E, Golovenko, D. Deposit date: 2010-03-15 Release date: 2010-11-03 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
3M1Q	Carbonic Anhydrase II mutant W5C-H64C with opened disulfide bond Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Schulze Wischeler, J, Heine, A, Klebe, G. Deposit date: 2010-03-05 Release date: 2011-05-25 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Mutational study on Carbonic Anhydrase II To be Published
3M2N	Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide Descriptor: 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... Authors: Grazulis, S, Manakova, E, Golovenko, D. Deposit date: 2010-03-08 Release date: 2011-02-16 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. Eur.J.Med.Chem., 51, 2012
3M2Z	Fragment tethered to Carbonic Anhydrase II H64C mutant Descriptor: CARBONATE ION, Carbonic anhydrase 2, N-(2-sulfanylethyl)benzamide, ... Authors: Schulze Wischeler, J, Heine, A, Klebe, G. Deposit date: 2010-03-08 Release date: 2011-07-06 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Fragment screening on Carbonic Anydrase II via Tethering approach To be Published
3MHL	Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide Descriptor: 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Grazulis, S, Manakova, E, Golovenko, D. Deposit date: 2010-04-08 Release date: 2010-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
3N2P	Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor Descriptor: 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. Deposit date: 2010-05-18 Release date: 2011-03-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.648 Å) Cite: Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
3MZC	Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor Descriptor: 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. Deposit date: 2010-05-12 Release date: 2011-03-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
3OKU	Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate Descriptor: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. Deposit date: 2010-08-25 Release date: 2011-07-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.45 Å) Cite: 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 Descriptor: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. Deposit date: 2010-08-19 Release date: 2011-07-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3OIL	Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate Descriptor: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, ZINC ION Authors: Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. Deposit date: 2010-08-19 Release date: 2011-07-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
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
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
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
3MNJ	Human Carbonic Anhydrase II Mutant K170E Descriptor: Carbonic anhydrase 2, SODIUM ION, ZINC ION Authors: Domsic, J.F, McKenna, R. Deposit date: 2010-04-21 Release date: 2010-07-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II. Biochemistry, 49, 2010
3MNU	Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron containing aromatic sulfamide with mammalian isoforms I-XV Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... Authors: Di Fiore, A, De Simone, G. Deposit date: 2010-04-22 Release date: 2010-06-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV. Bioorg.Med.Chem.Lett., 20, 2010
3MHI	Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide Descriptor: 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Grazulis, S, Manakova, E, Golovenko, D. Deposit date: 2010-04-08 Release date: 2010-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
3MWO	Human carbonic anhydrase II in a doubled monoclinic cell: a re-determination Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Robbins, A.H, McKenna, R. Deposit date: 2010-05-06 Release date: 2010-06-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Emerging from pseudo-symmetry: the redetermination of human carbonic anhydrase II in monoclinic P2(1) with a doubled a axis. Acta Crystallogr.,Sect.D, 66, 2010

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