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4Q8Z
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BU of 4q8z by Molmil
Crystal structure of 1-hydroxy-4-methylpyridin-2(1H)-one bound to human carbonic anhydrase II
Descriptor: 1-hydroxy-4-methylpyridin-2(1H)-one, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-04-28
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4QEF
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BU of 4qef by Molmil
Human Carbonic Anhydrase II V207I - cyanate inhibitor complex
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:West, D.M.
Deposit date:2014-05-15
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.469 Å)
Cite:Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4Q9Y
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BU of 4q9y by Molmil
Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II
Descriptor: 3-methylbenzenethiol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-05-02
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4PQ7
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BU of 4pq7 by Molmil
The crystal structure of the human carbonic anhydrase ii in complex with a sulfamide inhibitor
Descriptor: 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2014-02-28
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydrophobic substituents of the phenylmethylsulfamide moiety can be used for the development of new selective carbonic anhydrase inhibitors.
Biomed Res Int, 2014, 2014
4QJ0
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BU of 4qj0 by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-06-03
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QJW
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BU of 4qjw by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-06-05
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QIY
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BU of 4qiy by Molmil
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
Descriptor: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-06-03
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QK1
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BU of 4qk1 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - K170P
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Rasi, V, McKenna, R.
Deposit date:2014-06-05
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
4QIZ
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BU of 4qiz by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-06-03
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QJP
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BU of 4qjp by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-06-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QK3
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BU of 4qk3 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - [delta]230-240
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Rasi, V, McKenna, R.
Deposit date:2014-06-05
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.345 Å)
Cite:Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
4QSB
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BU of 4qsb by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-07-03
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
4QSI
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BU of 4qsi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-07-04
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
4R5A
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BU of 4r5a by Molmil
A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate
Descriptor: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Mahon, B.P, McKenna, R.
Deposit date:2014-08-20
Release date:2014-10-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014
1FQM
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BU of 1fqm by Molmil
X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT
Descriptor: CARBONIC ANHYDRASE, MERCURY (II) ION, ZINC ION
Authors:Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
Deposit date:2000-09-06
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
1G52
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BU of 1g52 by Molmil
CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
Authors:Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
Deposit date:2000-10-30
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
1HEC
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BU of 1hec by Molmil
STRUCTURAL CONSEQUENCES OF HYDROPHILIC AMINO-ACID SUBSTITUTIONS IN THE HYDROPHOBIC POCKET OF HUMAN CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1992-07-16
Release date:1992-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural consequences of hydrophilic amino acid substitutions in the hydrophobic pocket of human carbonic anhydrase II.
Biochemistry, 32, 1993
1HCA
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BU of 1hca by Molmil
UNEXPECTED PH-DEPENDENT CONFORMATION OF HIS-64, THE PROTON SHUTTLE OF CARBONIC ANHYDRASE II.
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1992-04-02
Release date:1992-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Unexpected Ph-Dependent Conformation of His-64, the Proton Shuttle of Carbonic Anhydrase II.
J.Am.Chem.Soc., 113, 1991
1H4N
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BU of 1h4n by Molmil
H94N CARBONIC ANHYDRASE II COMPLEXED WITH TRIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONIC ANHYDRASE II, ZINC ION
Authors:Lesburg, C.A, Christianson, D.W.
Deposit date:1997-05-29
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
1HEB
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BU of 1heb by Molmil
STRUCTURAL CONSEQUENCES OF HYDROPHILIC AMINO-ACID SUBSTITUTIONS IN THE HYDROPHOBIC POCKET OF HUMAN CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1992-07-16
Release date:1992-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural consequences of hydrophilic amino acid substitutions in the hydrophobic pocket of human carbonic anhydrase II.
Biochemistry, 32, 1993
1HEA
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BU of 1hea by Molmil
CARBONIC ANHYDRASE II (CARBONATE DEHYDRATASE) (HCA II) (E.C.4.2.1.1) MUTANT WITH LEU 198 REPLACED BY ARG (L198R)
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1992-07-16
Release date:1992-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural consequences of hydrophilic amino acid substitutions in the hydrophobic pocket of human carbonic anhydrase II.
Biochemistry, 32, 1993
1HCB
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BU of 1hcb by Molmil
ENZYME-SUBSTRATE INTERACTIONS: STRUCTURE OF HUMAN CARBONIC ANHYDRASE I COMPLEXED WITH BICARBONATE
Descriptor: BICARBONATE ION, CARBONIC ANHYDRASE I, ZINC ION
Authors:Kumar, V, Kannan, K.K.
Deposit date:1994-01-07
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enzyme-substrate interactions. Structure of human carbonic anhydrase I complexed with bicarbonate.
J.Mol.Biol., 241, 1994
1FQR
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BU of 1fqr by Molmil
X-RAY CRYSTAL STRUCTURE OF COBALT-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT
Descriptor: CARBONIC ANHYDRASE, COBALT (II) ION
Authors:Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
Deposit date:2000-09-06
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000
1FR7
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BU of 1fr7 by Molmil
X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
Deposit date:2000-09-07
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: CARBONIC ANHYDRASE II, COPPER (II) ION
Authors:Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W.
Deposit date:2000-09-11
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II.
Biochemistry, 39, 2000

221716

數據於2024-06-26公開中

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