3KWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kwa by Molmil](/molmil-images/mine/3kwa) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2geh by Molmil](/molmil-images/mine/2geh) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fw4 by Molmil](/molmil-images/mine/2fw4) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bnl by Molmil](/molmil-images/mine/5bnl) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2abe by Molmil](/molmil-images/mine/2abe) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3m1j by Molmil](/molmil-images/mine/3m1j) | |
3HFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hfp by Molmil](/molmil-images/mine/3hfp) | |
3IEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ieo by Molmil](/molmil-images/mine/3ieo) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k2f by Molmil](/molmil-images/mine/3k2f) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k7k by Molmil](/molmil-images/mine/3k7k) | |
3NI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ni5 by Molmil](/molmil-images/mine/3ni5) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bl0 by Molmil](/molmil-images/mine/3bl0) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bl1 by Molmil](/molmil-images/mine/3bl1) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nj9 by Molmil](/molmil-images/mine/3nj9) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dd8 by Molmil](/molmil-images/mine/3dd8) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gy8 by Molmil](/molmil-images/mine/3gy8) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gy3 by Molmil](/molmil-images/mine/3gy3) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gy6 by Molmil](/molmil-images/mine/3gy6) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gy7 by Molmil](/molmil-images/mine/3gy7) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3efi by Molmil](/molmil-images/mine/3efi) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f4x by Molmil](/molmil-images/mine/3f4x) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f8e by Molmil](/molmil-images/mine/3f8e) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ffp by Molmil](/molmil-images/mine/3ffp) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eft by Molmil](/molmil-images/mine/3eft) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gy5 by Molmil](/molmil-images/mine/3gy5) | 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
|
|