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6I0L
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Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor
分子名称: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea, ACETATE ION, Carbonic anhydrase 1, ...
著者Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D.
登録日2018-10-26
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.
Eur.J.Med.Chem., 182, 2019
6I0W
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Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide
分子名称: 4-methoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-10-26
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
1KOP
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NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE
分子名称: AZIDE ION, BETA-MERCAPTOETHANOL, CARBONIC ANHYDRASE, ...
著者Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H.
登録日1998-03-22
公開日1998-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide.
J.Mol.Biol., 283, 1998
1THK
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Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, ZINC ION
著者Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
登録日2004-06-01
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
6HX5
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Selenols: a new class of Carbonic Anhydrase inhibitors
分子名称: Carbonic anhydrase 2, ZINC ION, benzeneselenol
著者Angeli, A, Ferraroni, M.
登録日2018-10-16
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Selenols: a new class of carbonic anhydrase inhibitors.
Chem. Commun. (Camb.), 55, 2019
3DVD
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BU of 3dvd by Molmil
X-ray crystal structure of mutant N62D of human Carbonic Anhydrase II
分子名称: Carbonic anhydrase 2, ZINC ION
著者Avvaru, B.S.
登録日2008-07-18
公開日2008-11-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
1KWQ
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HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07
分子名称: 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE, Carbonic anhydrase II, MERCURY (II) ION, ...
著者Grueneberg, S, Stubbs, M.T.
登録日2002-01-30
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.
J.Med.Chem., 45, 2002
1KOQ
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NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE
分子名称: CARBONIC ANHYDRASE, ZINC ION
著者Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H.
登録日1998-03-22
公開日1998-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide.
J.Mol.Biol., 283, 1998
1KWR
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HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36
分子名称: 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE, Carbonic anhydrase II, ZINC ION
著者Grueneberg, S, Stubbs, M.T.
登録日2002-01-30
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation.
J.Med.Chem., 45, 2002
3FE4
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Crystal Structure of Human Carbonic Anhydrase vi
分子名称: Carbonic anhydrase 6, GLYCEROL, MAGNESIUM ION
著者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)
登録日2008-11-27
公開日2008-12-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
1RZA
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X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES
分子名称: CARBONIC ANHYDRASE II, COBALT (II) ION, OXYGEN MOLECULE
著者Hakansson, K, Wehnert, A, Liljas, A.
登録日1993-05-25
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
6HWZ
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Selenols: a new class of Carbonic Anhydrase inhibitors
分子名称: Carbonic anhydrase 1, ZINC ION, benzeneselenol
著者Angeli, A, Ferraroni, M.
登録日2018-10-15
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Selenols: a new class of carbonic anhydrase inhibitors.
Chem. Commun. (Camb.), 55, 2019
1V9I
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Crystal Structure Analysis of the site specific mutant (Q253C) of bovine carbonic anhydrase II
分子名称: Carbonic anhydrase II, ZINC ION
著者Saito, R, Sato, T, Ikai, A, Tanaka, N.
登録日2004-01-26
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal Structure Analysis of the site specific mutant (Q253C) of bovine carbonic anhydrase II
To be Published
8OLA
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BU of 8ola by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK4
分子名称: 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
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
1IF4
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Carbonic Anhydrase II Complexed With 4-fluorobenzenesulfonamide
分子名称: 4-FLUOROBENZENESULFONAMIDE, Carbonic Anhydrase II, MERCURY (II) ION, ...
著者Kim, C.-Y, Christianson, D.W.
登録日2001-04-12
公開日2001-05-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Binding of Fluorine Substituted Benzenesulfonamides to Carbonic Anhydrase II
To be Published
8OGF
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BU of 8ogf by Molmil
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
分子名称: 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, ...
著者Angeli, A, Ferraroni, M.
登録日2023-03-20
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.321 Å)
主引用文献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
3D0N
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BU of 3d0n by Molmil
Crystal structure of human carbonic anhydrase XIII
分子名称: ACETATE ION, Carbonic anhydrase 13, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2008-05-02
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide.
Proteins, 74, 2008
8OKJ
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Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_12
分子名称: 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
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKP
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BU of 8okp by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_33
分子名称: 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
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKT
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Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK42
分子名称: 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
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OMN
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BU of 8omn by Molmil
Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl VK4
分子名称: 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
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKE
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Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_1
分子名称: 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
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OLK
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Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_13
分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 2, ZINC ION, ...
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
8OLF
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Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor BS1982
分子名称: 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
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKQ
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Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_2
分子名称: 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
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published

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