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6QQM
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BU of 6qqm by Molmil
Crystal structure of the alpha carbonic anhydrase from Schistosoma mansoni
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Putative carbonic anhydrase, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2019-02-18
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
4CQ0
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BU of 4cq0 by Molmil
Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes
分子名称: 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide, CARBONIC ANHYDRASE 2, FORMIC ACID, ...
著者Moeker, J, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S.
登録日2014-02-10
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes.
J.Med.Chem., 57, 2014
1J9W
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BU of 1j9w by Molmil
Solution Structure of the CAI Michigan 1 Variant
分子名称: 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, ZINC ION
著者Briganti, F, Ferraroni, M, Chedwiggen, W.R, Scozzafava, A, Supuran, C.T, Tilli, S.
登録日2001-05-29
公開日2001-06-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination.
Biochemistry, 41, 2002
1JV0
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BU of 1jv0 by Molmil
THE CRYSTAL STRUCTURE OF THE ZINC(II) ADDUCT OF THE CAI MICHIGAN 1 VARIANT
分子名称: 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, CHLORIDE ION, ...
著者Briganti, F, Ferraroni, M, Chegwidden, W.R, Scozzafava, A, Supuran, C.T, Tilli, S.
登録日2001-08-28
公開日2001-09-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination
Biochemistry, 41, 2002
6ECZ
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BU of 6ecz by Molmil
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
分子名称: Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION
著者Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
登録日2018-08-08
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6FAG
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BU of 6fag by Molmil
Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea inhibitor
分子名称: 1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, Carbonic anhydrase 1, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D.
登録日2017-12-15
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
J.Med.Chem., 61, 2018
2W3Q
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BU of 2w3q by Molmil
Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans
分子名称: CARBONIC ANHYDRASE 2, CHLORIDE ION, ZINC ION
著者Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C.
登録日2008-11-14
公開日2008-12-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure and Inhibition of the Co(2)-Sensing Carbonic Anhydrase Can2 from the Pathogenic Fungus Cryptococcus Neoformans.
J.Mol.Biol., 385, 2009
2W3N
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BU of 2w3n by Molmil
Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans
分子名称: ACETATE ION, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C.
登録日2008-11-13
公開日2008-12-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans.
J. Mol. Biol., 385, 2009
1OQ5
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BU of 1oq5 by Molmil
CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR
分子名称: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION
著者Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G.
登録日2003-03-07
公開日2004-03-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
J.Med.Chem., 47, 2004
1F2W
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BU of 1f2w by Molmil
THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ...
著者Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S.
登録日2000-05-30
公開日2000-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction.
Biochemistry, 39, 2000
4M2U
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BU of 4m2u by Molmil
Carbonic Anhydrase II in complex with Dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4M2V
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BU of 4m2v by Molmil
Genetically engineered Carbonic Anhydrase IX in complex with Brinzolamide
分子名称: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4M2R
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BU of 4m2r by Molmil
Human Carbonic Anhydrase II in complex with Brinzolamide
分子名称: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
5BNL
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BU of 5bnl by Molmil
Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins
分子名称: (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Maresca, A, Pochet, L, Masereel, B, Scozzafava, A, Supuran, C.T.
登録日2015-05-26
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins.
J.Med.Chem., 53, 2010
4M2W
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BU of 4m2w by Molmil
Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, McKenna, R.
登録日2013-08-05
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.658 Å)
主引用文献Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4O1K
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Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
分子名称: Carbonic anhydrase, ZINC ION
著者Lehneck, R, Neumann, P, Vullo, D, Elleuche, S, Supuran, C.T, Ficner, R, Poggeler, S.
登録日2013-12-16
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
Febs J., 281, 2014
4O1J
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BU of 4o1j by Molmil
Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
分子名称: CHLORIDE ION, Carbonic anhydrase, ZINC ION
著者Lehneck, R, Neumann, P, Vullo, D, Elleuche, S, Supuran, C.T, Ficner, R, Poggeler, S.
登録日2013-12-16
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
Febs J., 281, 2014
1NO9
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BU of 1no9 by Molmil
Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha Thrombin, N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE, ...
著者De Simone, G, Menchise, V, Omaggio, S, Pedone, C, Scozzafava, A, Supuran, C.T.
登録日2003-01-16
公開日2003-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献DESIGN OF WEAKLY BASIC THROMBIN INHIBITORS INCORPORATING NOVEL P1 BINDING FUNCTIONS: MOLECULAR AND X-RAY CRYSTALLOGRAPHIC STUDIES
Biochemistry, 42, 2003
7BM4
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BU of 7bm4 by Molmil
Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulphamoylphenyl)selenourea
分子名称: 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
2IT4
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BU of 2it4 by Molmil
X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet
分子名称: Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION
著者Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T.
登録日2006-10-19
公開日2007-09-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.
Bioorg.Med.Chem.Lett., 17, 2007
2O4Z
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Crystal structure of the Carbonic Anhydrase II complexed with hydroxysulfamide inhibitor
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, N-hydroxysulfamide, ...
著者Temperini, C, Winum, J.Y, Montero, J.L, Scozzafava, a, Supuran, c.t.
登録日2006-12-05
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Carbonic anhydrase inhibitors: The X-ray crystal structure of the adduct of N-hydroxysulfamide with isozyme II explains why this new zinc binding function is effective in the design of potent inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2ABE
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BU of 2abe by Molmil
Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators
分子名称: Carbonic anhydrase II, HISTIDINE, MERCURY (II) ION, ...
著者Temperini, C, Scozzafava, A, Puccetti, L, Supuran, C.T.
登録日2005-07-15
公開日2005-10-25
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: X-ray crystal structure of the adduct of human isozyme II with l-histidine as a platform for the design of stronger activators.
Bioorg.Med.Chem.Lett., 15, 2005
5G0C
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BU of 5g0c by Molmil
An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C
分子名称: CARBONIC ANHYDRASE 2, ETHANOL, SODIUM ION, ...
著者Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A.
登録日2016-03-17
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
5G03
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BU of 5g03 by Molmil
An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C
分子名称: CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SULFATE ION, ...
著者Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A.
登録日2016-03-16
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
5G01
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An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C
分子名称: CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SODIUM ION, ...
著者Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A.
登録日2016-03-16
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016

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