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PDB: 1337 件

3T5Z
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Crystal structure of the human carbonic anhydrase II in complex with N-methoxy-benzenesulfonamide
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-methoxybenzenesulfonamide, ...
著者Di Fiore, A, Maresca, A, Alterio, V, Supuran, C.T, De Simone, G.
登録日2011-07-28
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chem.Commun.(Camb.), 47, 2011
3T83
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Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
分子名称: 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose, 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose, Carbonic anhydrase 2, ...
著者Hofmann, A, Wang, C.K.
登録日2011-08-01
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3S74
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The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
分子名称: 1-benzothiophene-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2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 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
1I91
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CARBONIC ANHYDRASE II COMPLEXED WITH AL-6619 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE
分子名称: 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W.
登録日2001-03-16
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV.
J.Med.Chem., 45, 2002
1I9P
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CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
1I9L
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CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE
分子名称: 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Kim, C.-Y, Chandra, P.P, Jain, A, Christianson, D.W.
登録日2001-03-20
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.
J.Am.Chem.Soc., 123, 2001
3T84
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Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
分子名称: 4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose, Carbonic anhydrase 2, ZINC ION
著者Hofmann, A, Wang, C.K.
登録日2011-08-01
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
1HEB
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STRUCTURAL CONSEQUENCES OF HYDROPHILIC AMINO-ACID SUBSTITUTIONS IN THE HYDROPHOBIC POCKET OF HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Nair, S.K, Christianson, D.W.
登録日1992-07-16
公開日1992-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural consequences of hydrophilic amino acid substitutions in the hydrophobic pocket of human carbonic anhydrase II.
Biochemistry, 32, 1993
1H4N
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H94N CARBONIC ANHYDRASE II COMPLEXED WITH TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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2024-05-22
実験手法X-RAY DIFFRACTION (2 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
1IF6
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Carbonic Anhydrase II Complexed With 3,5-difluorobenzenesulfonamide
分子名称: 3,5-DIFLUOROBENZENESULFONAMIDE, 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 (2.09 Å)
主引用文献Binding of Fluorine Substituted Benzenesulfonamides to Carbonic Anhydrase II
To be Published
1HEA
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CARBONIC ANHYDRASE II (CARBONATE DEHYDRATASE) (HCA II) (E.C.4.2.1.1) MUTANT WITH LEU 198 REPLACED BY ARG (L198R)
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Nair, S.K, Christianson, D.W.
登録日1992-07-16
公開日1992-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural consequences of hydrophilic amino acid substitutions in the hydrophobic pocket of human carbonic anhydrase II.
Biochemistry, 32, 1993
1HEC
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STRUCTURAL CONSEQUENCES OF HYDROPHILIC AMINO-ACID SUBSTITUTIONS IN THE HYDROPHOBIC POCKET OF HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Nair, S.K, Christianson, D.W.
登録日1992-07-16
公開日1992-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural consequences of hydrophilic amino acid substitutions in the hydrophobic pocket of human carbonic anhydrase II.
Biochemistry, 32, 1993
1HCB
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ENZYME-SUBSTRATE INTERACTIONS: STRUCTURE OF HUMAN CARBONIC ANHYDRASE I COMPLEXED WITH BICARBONATE
分子名称: BICARBONATE ION, CARBONIC ANHYDRASE I, ZINC ION
著者Kumar, V, Kannan, K.K.
登録日1994-01-07
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enzyme-substrate interactions. Structure of human carbonic anhydrase I complexed with bicarbonate.
J.Mol.Biol., 241, 1994
3S76
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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
3S73
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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
3SAP
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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
3SAX
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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
3S8X
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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
1FR7
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BU of 1fr7 by Molmil
X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
登録日2000-09-07
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
1FSR
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BU of 1fsr by Molmil
X-RAY CRYSTAL STRUCTURE OF COPPER-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT
分子名称: CARBONIC ANHYDRASE II, COPPER (II) ION
著者Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
登録日2000-09-11
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
1FLJ
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CRYSTAL STRUCTURE OF S-GLUTATHIOLATED CARBONIC ANHYDRASE III
分子名称: CARBONIC ANHYDRASE III, GLUTATHIONE, ZINC ION
著者Mallis, R.J, Poland, B.W, Chatterjee, T.K, Fisher, R.A, Darmawan, S, Honzatko, R.B, Thomas, J.A.
登録日2000-08-14
公開日2000-09-04
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of S-glutathiolated carbonic anhydrase III.
FEBS Lett., 482, 2000
3S71
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The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
分子名称: 1-benzofuran-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2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 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
1FQL
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X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT
分子名称: CARBONIC ANHYDRASE, MERCURY (II) ION, ZINC ION
著者Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
登録日2000-09-05
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
3T82
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Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
分子名称: 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose, Carbonic anhydrase 2, ZINC ION
著者Hofmann, A, Wang, C.K.
登録日2011-08-01
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3V5G
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Crystal structure of human carbonic anhydrase II in complex with the 4-sulfamido-benzenesulfonamide inhibitor
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, 4-(sulfamoylamino)benzenesulfonamide, Carbonic anhydrase 2, ...
著者D'Ambrosio, K, De Simone, G.
登録日2011-12-16
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups.
J.Med.Chem., 55, 2012

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件を2024-09-11に公開中

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