6I0L
 
 | | Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor | | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea, ACETATE ION, Carbonic anhydrase 1, ... | | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | | Deposit date: | 2018-10-26 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.
Eur.J.Med.Chem., 182, 2019
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6I0W
 | | Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide | | Descriptor: | 4-methoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2018-10-26 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
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1KOP
 | | NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE | | Descriptor: | AZIDE ION, BETA-MERCAPTOETHANOL, CARBONIC ANHYDRASE, ... | | Authors: | Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H. | | Deposit date: | 1998-03-22 | | Release date: | 1998-12-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide.
J.Mol.Biol., 283, 1998
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1THK
 | | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | | Descriptor: | Carbonic anhydrase II, ZINC ION | | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | | Deposit date: | 2004-06-01 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
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6HX5
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3DVD
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1KWQ
 | | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07 | | Descriptor: | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE, Carbonic anhydrase II, MERCURY (II) ION, ... | | Authors: | Grueneberg, S, Stubbs, M.T. | | Deposit date: | 2002-01-30 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.
J.Med.Chem., 45, 2002
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1KOQ
 | | NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE | | Descriptor: | CARBONIC ANHYDRASE, ZINC ION | | Authors: | Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H. | | Deposit date: | 1998-03-22 | | Release date: | 1998-12-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide.
J.Mol.Biol., 283, 1998
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1KWR
 | | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36 | | Descriptor: | 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE, Carbonic anhydrase II, ZINC ION | | Authors: | Grueneberg, S, Stubbs, M.T. | | Deposit date: | 2002-01-30 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.
J.Med.Chem., 45, 2002
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3FE4
 | | Crystal Structure of Human Carbonic Anhydrase vi | | Descriptor: | Carbonic anhydrase 6, GLYCEROL, MAGNESIUM ION | | Authors: | Pilka, E.S, Kochan, G, Krysztofinska, E, Muniz, J, Yue, W.W, Roos, A.K, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-27 | | Release date: | 2008-12-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the secretory isozyme of mammalian carbonic anhydrases CA VI: implications for biological assembly and inhibitor development
Biochem.Biophys.Res.Commun., 419, 2012
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1RZA
 | | X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES | | Descriptor: | CARBONIC ANHYDRASE II, COBALT (II) ION, OXYGEN MOLECULE | | Authors: | Hakansson, K, Wehnert, A, Liljas, A. | | Deposit date: | 1993-05-25 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
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6HWZ
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1V9I
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8OLA
 | | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK4 | | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},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 II in Complex with Steriod_Sulphamoyl
To Be Published
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1IF4
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8OGF
 | | Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide | | Descriptor: | 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.321 Å) | | Cite: | Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide
To Be Published
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3D0N
 | | Crystal structure of human carbonic anhydrase XIII | | Descriptor: | ACETATE ION, Carbonic anhydrase 13, GLYCEROL, ... | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2008-05-02 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide.
Proteins, 74, 2008
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8OKJ
 | | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor 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: | 2023-03-28 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
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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
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8OKT
 | | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK42 | | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[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 (1.5 Å) | | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
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8OMN
 | | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl VK4 | | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},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: | 2023-03-31 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
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8OKE
 | | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_1 | | 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: | 2023-03-28 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
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8OLK
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8OLF
 | | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor BS1982 | | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[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 (1.45 Å) | | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
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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
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