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PDB: 44 件
3KWA
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BU of 3kwa by Molmil
Polyamines inhibit carbonic anhydrases
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, SPERMINE, ...
著者Temperini, C.
登録日2009-12-01
公開日2010-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule
J.Med.Chem., 53, 2010
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
2FW4
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BU of 2fw4 by Molmil
Carbonic anhydrase activators. The first X-ray crystallographic study of an activator of isoform I, structure with L-histidine.
分子名称: Carbonic anhydrase 1, HISTIDINE, ZINC ION
著者Temperini, C, Scozzafava, A, Supuran, C.T.
登録日2006-02-01
公開日2006-08-08
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: The first X-ray crystallographic study of an adduct of isoform I.
Bioorg.Med.Chem.Lett., 16, 2006
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
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
3M1J
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BU of 3m1j by Molmil
The crystal structure of a NAMI A-Carbonic Anhydrase II adduct discloses the mode of action of this novel anticancer metallodrug
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, IMIDAZOLE, ...
著者Temperini, C, Messori, L.
登録日2010-03-05
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The x-ray structure of the adduct between NAMI-A and carbonic anhydrase provides insights into the reactivity of this metallodrug with proteins
Chemmedchem, 5, 2010
3HFP
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BU of 3hfp by Molmil
Crystal structure of teh complex between CA II and the activator MAI
分子名称: 1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Supuran, C.T.
登録日2009-05-12
公開日2010-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Crystal structure of teh complex between CA II and the activator MAI
To be Published
3IEO
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BU of 3ieo by Molmil
The coumarin-binding site in carbonic anhydrase: the antiepileptic lacosamide as an example
分子名称: BENZOIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Innocenti, A, Scozzafava, A, Parkkila, S, Supuran, C.T.
登録日2009-07-23
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors
J.Med.Chem., 53, 2010
3K2F
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BU of 3k2f by Molmil
Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
分子名称: (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Cecchi, A.
登録日2009-09-30
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Bioorg.Med.Chem.Lett., 19, 2009
3K7K
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BU of 3k7k by Molmil
Crystal structure of the complex between Carbonic Anhydrase II and anions
分子名称: Carbonic anhydrase 2, MERCURY (II) ION, ZINC ION, ...
著者Temperini, C.
登録日2009-10-13
公開日2010-01-26
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. X-ray crystal studies of the carbonic anhydrase II-trithiocarbonate adduct-An inhibitor mimicking the sulfonamide and urea binding to the enzyme
Bioorg.Med.Chem.Lett., 20, 2010
3NI5
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BU of 3ni5 by Molmil
Carbonic anhydrase inhibitor: C1 family
分子名称: 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T.
登録日2010-06-15
公開日2011-06-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action
Bioorg.Med.Chem.Lett., 21, 2011
3BL0
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BU of 3bl0 by Molmil
Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Temperini, C, Supuran, C.T, Blackburn, G.M.
登録日2007-12-10
公開日2008-01-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of 2-N,N-dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
3BL1
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BU of 3bl1 by Molmil
Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited old leads for new applications
分子名称: 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Cecchi, A, Supuran, C.T.
登録日2007-12-10
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct.
Bioorg.Med.Chem.Lett., 18, 2008
3NJ9
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BU of 3nj9 by Molmil
Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor
分子名称: 3-(4-sulfamoylphenyl)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethyl]-6-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Cecchi, A.
登録日2010-06-17
公開日2011-06-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor
To be Published
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
3GY8
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BU of 3gy8 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3GY3
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BU of 3gy3 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3GY6
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BU of 3gy6 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by the bis-benzamidines diminazene and pentamidine
分子名称: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3GY7
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BU of 3gy7 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3EFI
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BU of 3efi by Molmil
Carbonic anhydrase activators: Kinetic and X-ray crystallographic study for the interaction of d- and l-tryptophan with the mammalian isoforms I-XIV
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, TRYPTOPHAN, ...
著者Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
登録日2008-09-09
公開日2008-09-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Carbonic anhydrase activators: kinetic and X-ray crystallographic study for the interaction of D- and L-tryptophan with the mammalian isoforms I-XIV
Bioorg.Med.Chem., 16, 2008
3F4X
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BU of 3f4x by Molmil
Carbonic anhydrase inhibitors. Comparison of chlorthalidone and indapamide X-ray crystal structures in adducts with isozyme II: when three water molecules make the difference
分子名称: 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T.
登録日2008-11-03
公開日2009-03-17
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. Comparison of chlorthalidone and indapamide X-ray crystal structures in adducts with isozyme II: when three water molecules and the keto-enol tautomerism make the difference.
J.Med.Chem., 52, 2009
3F8E
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BU of 3f8e by Molmil
Coumarins are a novel class of suicide carbonic anhydrase inhibitors
分子名称: (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid, BENZOIC ACID, Carbonic anhydrase 2, ...
著者Temperini, C, Maresca, A, Scozzafava, A, Supuran, C.T.
登録日2008-11-12
公開日2009-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Non-Zinc Mediated Inhibition of Carbonic Anhydrases: Coumarins Are a New Class of Suicide Inhibitors
J.Am.Chem.Soc., 131, 2009
3FFP
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BU of 3ffp by Molmil
X ray structure of the complex between carbonic anhydrase II and LC inhibitors
分子名称: 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ...
著者Temperini, C, Crocetti, L, Scozzafava, A, Supuran, C.T.
登録日2008-12-04
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A thiabendazole sulfonamide shows potent inhibitory activity against mammalian and nematode alpha-carbonic anhydrases
Bioorg.Med.Chem.Lett., 19, 2009
3EFT
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BU of 3eft by Molmil
Crystal structure of the complex between Carbonic Anhydrase II and a spin-labeled sulfonamide incorporating TEMPO moiety
分子名称: 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T.
登録日2008-09-10
公開日2009-09-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Dissecting the Inhibition Mechanism of Cytosolic versus Transmembrane Carbonic Anhydrases by ESR
J.Phys.Chem.B, 113, 2009
3GY5
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BU of 3gy5 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010

 

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