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2GEH
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BU of 2geh by Molmil
N-Hydroxyurea, a versatile zinc binding function in the design of metalloenzyme inhibitors
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, N-HYDROXYUREA, ...
著者Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
登録日2006-03-20
公開日2006-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-Hydroxyurea-A versatile zinc binding function in the design of metalloenzyme inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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
3BET
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BU of 3bet by Molmil
Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution
分子名称: (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2007-11-20
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents
J.Med.Chem., 51, 2008
2EZ7
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BU of 2ez7 by Molmil
Carbonic anhydrase activators. Activation of isozymes I, II, IV, VA, VII and XIV with L- and D-histidine and crystallographic analysis of their adducts with isoform II: engineering proton transfer processes within the active site of an enzyme
分子名称: Carbonic anhydrase 2, D-HISTIDINE, MERCURY (II) ION, ...
著者Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T.
登録日2005-11-10
公開日2006-07-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbonic Anhydrase Activators. Activation of Isozymes I, II, IV, VA, VII, and XIV with L- and D-Histidine and Crystallographic Analysis of Their Adducts with Isoform II: Engineering Proton-Transfer Processes within the Active Site of an Enzyme.
Chemistry, 12, 2006
3CZV
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BU of 3czv by Molmil
Crystal structure of the human carbonic anhydrase XIII in complex with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 13, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2008-04-30
公開日2008-07-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide.
Proteins, 74, 2008
3B4F
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BU of 3b4f by Molmil
Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Guzel, o, Temperini, c, Innocenti, a, Scozzafava, A, Salman, a, Supuran, c.t.
登録日2007-10-24
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
3D9Z
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BU of 3d9z by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-05-28
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DCS
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BU of 3dcs by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-04
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3D92
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BU of 3d92 by Molmil
Human carbonic anhydrase II bound with substrate carbon dioxide
分子名称: CARBON DIOXIDE, GLYCEROL, ZINC ION, ...
著者Domsic, J.F, Avvaru, B.S, McKenna, R.
登録日2008-05-26
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Entrapment of carbon dioxide in the active site of carbonic anhydrase II
J.Biol.Chem., 283, 2008
3DA2
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BU of 3da2 by Molmil
X-ray structure of human carbonic anhydrase 13 in complex with inhibitor
分子名称: CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ...
著者Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-05-28
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-ray structure of human carbonic anhydrase 13 in complex with inhibitor.
To be Published
3DCW
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BU of 3dcw by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-04
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3D93
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BU of 3d93 by Molmil
Apo Human carbonic anhydrase II bound with substrate carbon dioxide
分子名称: CARBON DIOXIDE, GLYCEROL, carbonic anhydrase II
著者Domsic, J.F, Avvaru, B.S, McKenna, R.
登録日2008-05-26
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Entrapment of carbon dioxide in the active site of carbonic anhydrase II
J.Biol.Chem., 283, 2008
3DAZ
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BU of 3daz by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-05-30
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DCC
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BU of 3dcc by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-03
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3D8W
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BU of 3d8w by Molmil
Use of a carbonic Anhydrase II, IX Active-site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase II, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-05-26
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DBU
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BU of 3dbu by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-02
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DD0
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BU of 3dd0 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-04
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DD8
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BU of 3dd8 by Molmil
Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
登録日2008-06-05
公開日2008-08-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies
Bioorg.Med.Chem.Lett., 18, 2008
3DVC
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BU of 3dvc by Molmil
X-ray crystal structure of mutant N62T 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
3DC3
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BU of 3dc3 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-03
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DC9
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BU of 3dc9 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-03
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
2H15
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BU of 2h15 by Molmil
Carbonic anhydrase inhibitors: Clashing with Ala65 as a means of designing isozyme-selective inhibitors that show low affinity for the ubiquitous isozyme II
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE, ...
著者Winum, J.Y, Temperini, C, Ciattini, S, Scozzafava, A, Supuran, C.T.
登録日2006-05-16
公開日2007-03-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue.
J.Med.Chem., 49, 2006
2HD6
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BU of 2hd6 by Molmil
Crystal structure of the human carbonic anhydrase II in complex with a hypoxia-activatable sulfonamide.
分子名称: CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ...
著者De Simone, G, Vitale, R.M, Di Fiore, A, Pedone, C.
登録日2006-06-20
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX.
J.Med.Chem., 49, 2006
2H4N
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BU of 2h4n by Molmil
H94N CARBONIC ANHYDRASE II COMPLEXED WITH ACETAZOLAMIDE
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1997-05-29
公開日1997-09-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
4Q49
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BU of 4q49 by Molmil
Room temperature neutron crystal structure of apo human carbonic anhydrase at pH 7.5
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z, McKenna, R.
登録日2014-04-14
公開日2015-02-25
最終更新日2023-09-20
実験手法NEUTRON DIFFRACTION (1.8 Å)
主引用文献Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer.
Proc.Natl.Acad.Sci.USA, 112, 2015

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