2FOQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2foq by Molmil](/molmil-images/mine/2foq) | |
2FOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fou by Molmil](/molmil-images/mine/2fou) | Human Carbonic Anhydrase II complexed with two-prong inhibitors | Descriptor: | COPPER (II) ION, Carbonic Anhydrase II, GLYCEROL, ... | Authors: | Jude, K.M, Christianson, D.W. | Deposit date: | 2006-01-14 | Release date: | 2006-04-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc., 128, 2006
|
|
2FOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fov by Molmil](/molmil-images/mine/2fov) | Human Carbonic Anhydrase II complexed with two-prong inhibitors | Descriptor: | ACETONITRILE, COPPER (II) ION, Carbonic Anhydrase II, ... | Authors: | Jude, K.M, Christianson, D.W. | Deposit date: | 2006-01-14 | Release date: | 2006-04-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc., 128, 2006
|
|
2FOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2foy by Molmil](/molmil-images/mine/2foy) | Human Carbonic Anhydrase I complexed with a two-prong inhibitor | Descriptor: | Carbonic anhydrase 1, ZINC ION, {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER | Authors: | Jude, K.M, Banerjee, A.L, Haldar, M.K, Manokaran, S, Roy, B, Mallik, S, Srivastava, D.K, Christianson, D.W. | Deposit date: | 2006-01-14 | Release date: | 2006-04-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc., 128, 2006
|
|
2FNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fnm by Molmil](/molmil-images/mine/2fnm) | Activation of human carbonic anhdyrase II by exogenous proton donors | Descriptor: | ZINC ION, carbonic anhydrase 2 | Authors: | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | Deposit date: | 2006-01-11 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Location of binding sites in small molecule rescue of human carbonic anhydrase II. Biophys.J., 92, 2007
|
|
2FMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fmz by Molmil](/molmil-images/mine/2fmz) | Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine, structure with D-Phenylalanine. | Descriptor: | Carbonic anhydrase 2, D-PHENYLALANINE, MERCURY (II) ION, ... | Authors: | Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T. | Deposit date: | 2006-01-10 | Release date: | 2006-05-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, VA, VII, and XIV with l- and d-Phenylalanine and Crystallographic Analysis of Their Adducts with Isozyme II: Stereospecific Recognition within the Active Site of an Enzyme and Its Consequences for the Drug Design. J.Med.Chem., 49, 2006
|
|
2FNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fnk by Molmil](/molmil-images/mine/2fnk) | Activation of Human Carbonic Anhydrase II by exogenous proton donors | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | Deposit date: | 2006-01-11 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Location of binding sites in small molecule rescue of human carbonic anhydrase II. Biophys.J., 92, 2007
|
|
2FOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fos by Molmil](/molmil-images/mine/2fos) | Human Carbonic Anhydrase II complexed with two-prong inhibitors | Descriptor: | COPPER (II) ION, Carbonic Anhydrase II, ZINC ION, ... | Authors: | Jude, K.M, Christianson, D.W. | Deposit date: | 2006-01-13 | Release date: | 2006-04-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity. J.Am.Chem.Soc., 128, 2006
|
|
2FW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fw4 by Molmil](/molmil-images/mine/2fw4) | Carbonic anhydrase activators. The first X-ray crystallographic study of an activator of isoform I, structure with L-histidine. | Descriptor: | Carbonic anhydrase 1, HISTIDINE, ZINC ION | Authors: | Temperini, C, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-02-01 | Release date: | 2006-08-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carbonic anhydrase activators: The first X-ray crystallographic study of an adduct of isoform I. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2FNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fnn by Molmil](/molmil-images/mine/2fnn) | Activation of human carbonic anhydrase II by exogenous proton donors | Descriptor: | 4-METHYLIMIDAZOLE, Carbonic Anhydrase 2, ZINC ION | Authors: | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | Deposit date: | 2006-01-11 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Location of binding sites in small molecule rescue of human carbonic anhydrase II. Biophys.J., 92, 2007
|
|
2GD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gd8 by Molmil](/molmil-images/mine/2gd8) | Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate | Descriptor: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE, CHLORIDE ION, Carbonic anhydrase 2, ... | Authors: | De Simone, G, Di Fiore, A. | Deposit date: | 2006-03-15 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity. J.Med.Chem., 49, 2006
|
|
2GEH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2geh by Molmil](/molmil-images/mine/2geh) | N-Hydroxyurea, a versatile zinc binding function in the design of metalloenzyme inhibitors | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, N-HYDROXYUREA, ... | Authors: | Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-03-20 | Release date: | 2006-06-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | N-Hydroxyurea-A versatile zinc binding function in the design of metalloenzyme inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
|
|
7POM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pom by Molmil](/molmil-images/mine/7pom) | |
7PUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7puu by Molmil](/molmil-images/mine/7puu) | Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoate | Descriptor: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-09-30 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
|
|
7Q0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0d by Molmil](/molmil-images/mine/7q0d) | Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase 1, ... | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-10-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
|
|
7Q0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0e by Molmil](/molmil-images/mine/7q0e) | Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | Descriptor: | BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-10-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
|
|
7PUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7puw by Molmil](/molmil-images/mine/7puw) | Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate | Descriptor: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-09-30 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
|
|
7PUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7puv by Molmil](/molmil-images/mine/7puv) | Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | Descriptor: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-09-30 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
|
|
7Q0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0c by Molmil](/molmil-images/mine/7q0c) | Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate | Descriptor: | ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-10-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
|
|
8P6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p6u by Molmil](/molmil-images/mine/8p6u) | Human carbonic anhydrase II containing 5-fluorotryptophanes | Descriptor: | BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | Deposit date: | 2023-05-30 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact. Protein Sci., 33, 2024
|
|
7PLF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7plf by Molmil](/molmil-images/mine/7plf) | Human Carbonic Anhydrase I in complex with clorsulon | Descriptor: | 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase 1, ZINC ION | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2021-08-31 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.461 Å) | Cite: | Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies. Acta Crystallogr D Struct Biol, 78, 2022
|
|
8OKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8okq by Molmil](/molmil-images/mine/8okq) | Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_2 | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Carbonic Anhydrase in Complex with Steriod_Sulphamoyl To Be Published
|
|
8OLI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oli by Molmil](/molmil-images/mine/8oli) | Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_12 | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-30 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Carbonic Anhydrase in Complex with Steriod_Sulphamoyl To Be Published
|
|
8OKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8okp by Molmil](/molmil-images/mine/8okp) | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_33 | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-28 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
|
|
8OLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8olk by Molmil](/molmil-images/mine/8olk) | |