3V2J
 
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3T84
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3RZ0
 | | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | | 分子名称: | Carbonic anhydrase 2, N-butyl-4-sulfamoylbenzamide, ZINC ION | | 著者 | Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W. | | 登録日 | 2011-05-11 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
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3SBI
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-[(2-pyrimidinylsulfanyl)acetyl]benzenesulfonamide | | 分子名称: | 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-06-05 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3LXE
 | | Human Carbonic Anhydrase I in complex with topiramate | | 分子名称: | Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | | 著者 | Alterio, V, De Simone, G, Monti, S.M, Truppo, E. | | 登録日 | 2010-02-25 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex.
Org.Biomol.Chem., 2010
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3S76
 | | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | | 分子名称: | 1H-imidazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Snyder, P.W, Heroux, A, Whitesides, G.W. | | 登録日 | 2011-05-26 | | 公開日 | 2011-10-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3SAP
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-butyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-06-03 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3SAX
 | | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(5-ethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | | 分子名称: | 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-06-03 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3S73
 | | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | | 分子名称: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Snyder, P.W, Heroux, A, Whitesides, G.W. | | 登録日 | 2011-05-26 | | 公開日 | 2011-12-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3S8X
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | | 分子名称: | 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | | 登録日 | 2011-05-31 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
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3S71
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3M3X
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide | | 分子名称: | 4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | | 登録日 | 2010-03-10 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
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3M14
 | | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide, ... | | 著者 | Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U. | | 登録日 | 2010-03-04 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
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3M1J
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3M5E
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide | | 分子名称: | 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | | 登録日 | 2010-03-12 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
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3M98
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3MDZ
 | | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 | | 分子名称: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | | 著者 | Ugochukwu, E, Shafqat, N, Pilka, E, Chaikuad, A, Krojer, T, Muniz, J, Kim, J, Bray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Carpenter, E.P, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2010-03-31 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7
to be published
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3MHC
 | | Crystal structure of human cabonic anhydrase II in adduct with an adamantyl analogue of acetazolamide in a novel hydrophobic binding pocket | | 分子名称: | (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Avvaru, B.S. | | 登録日 | 2010-04-07 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3ML5
 | | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 7, ZINC ION | | 著者 | Di Fiore, A, Truppo, E, Supuran, C.T, Alterio, V, Dathan, N, Bootorabi, F, Parkkila, S, Monti, S.M, De Simone, G. | | 登録日 | 2010-04-16 | | 公開日 | 2011-03-02 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide
Bioorg.Med.Chem.Lett., 20, 2010
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3M1K
 | | Carbonic Anhydrase in complex with fragment | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, ... | | 著者 | Schulze Wischeler, J, Heine, A, Klebe, G. | | 登録日 | 2010-03-05 | | 公開日 | 2010-11-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry.
Chemmedchem, 5, 2010
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3M04
 | | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ZINC ION, ... | | 著者 | Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U. | | 登録日 | 2010-03-02 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
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3M2Y
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3MNH
 | | Human Carbonic Anhydrase II Mutant K170A | | 分子名称: | Carbonic anhydrase 2, SODIUM ION, ZINC ION | | 著者 | Domsic, J.F, McKenna, R. | | 登録日 | 2010-04-21 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II.
Biochemistry, 49, 2010
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3M1W
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3T82
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