1JV0
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![BU of 1jv0 by Molmil](/molmil-images/mine/1jv0) | THE CRYSTAL STRUCTURE OF THE ZINC(II) ADDUCT OF THE CAI MICHIGAN 1 VARIANT | 分子名称: | 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, CHLORIDE ION, ... | 著者 | Briganti, F, Ferraroni, M, Chegwidden, W.R, Scozzafava, A, Supuran, C.T, Tilli, S. | 登録日 | 2001-08-28 | 公開日 | 2001-09-19 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination Biochemistry, 41, 2002
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3EFI
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![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
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4RFD
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![BU of 4rfd by Molmil](/molmil-images/mine/4rfd) | Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium | 分子名称: | 4-(4-sulfamoyl-phenoxy)-butylammonium, BICARBONATE ION, Carbonic anhydrase 2, ... | 著者 | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | 登録日 | 2014-09-25 | 公開日 | 2015-04-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
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4RFC
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![BU of 4rfc by Molmil](/molmil-images/mine/4rfc) | Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | 分子名称: | Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | 著者 | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | 登録日 | 2014-09-25 | 公開日 | 2015-04-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.645 Å) | 主引用文献 | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
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5BNL
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![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
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1NO9
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![BU of 1no9 by Molmil](/molmil-images/mine/1no9) | Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha Thrombin, N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE, ... | 著者 | De Simone, G, Menchise, V, Omaggio, S, Pedone, C, Scozzafava, A, Supuran, C.T. | 登録日 | 2003-01-16 | 公開日 | 2003-08-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | DESIGN OF WEAKLY BASIC THROMBIN INHIBITORS INCORPORATING NOVEL P1 BINDING FUNCTIONS: MOLECULAR AND X-RAY CRYSTALLOGRAPHIC STUDIES Biochemistry, 42, 2003
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1J9W
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![BU of 1j9w by Molmil](/molmil-images/mine/1j9w) | Solution Structure of the CAI Michigan 1 Variant | 分子名称: | 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, ZINC ION | 著者 | Briganti, F, Ferraroni, M, Chedwiggen, W.R, Scozzafava, A, Supuran, C.T, Tilli, S. | 登録日 | 2001-05-29 | 公開日 | 2001-06-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination. Biochemistry, 41, 2002
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1OQ5
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![BU of 1oq5 by Molmil](/molmil-images/mine/1oq5) | CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR | 分子名称: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION | 著者 | Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G. | 登録日 | 2003-03-07 | 公開日 | 2004-03-23 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J.Med.Chem., 47, 2004
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1TMX
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![BU of 1tmx by Molmil](/molmil-images/mine/1tmx) | Crystal structure of hydroxyquinol 1,2-dioxygenase from Nocardioides Simplex 3E | 分子名称: | 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, BENZOIC ACID, CHLORIDE ION, ... | 著者 | Ferraroni, M, Travkin, V.M, Seifert, J, Schlomann, M, Golovleva, L, Scozzafava, A, Briganti, F. | 登録日 | 2004-06-11 | 公開日 | 2005-03-22 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structure of the hydroxyquinol 1,2-dioxygenase from Nocardioides simplex 3E, a key enzyme involved in polychlorinated aromatics biodegradation. J.Biol.Chem., 280, 2005
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2IT4
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![BU of 2it4 by Molmil](/molmil-images/mine/2it4) | X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet | 分子名称: | Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION | 著者 | Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T. | 登録日 | 2006-10-19 | 公開日 | 2007-09-11 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I. Bioorg.Med.Chem.Lett., 17, 2007
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1F2W
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![BU of 1f2w by Molmil](/molmil-images/mine/1f2w) | THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION | 分子名称: | 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ... | 著者 | Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S. | 登録日 | 2000-05-30 | 公開日 | 2000-06-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction. Biochemistry, 39, 2000
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1S9A
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![BU of 1s9a by Molmil](/molmil-images/mine/1s9a) | Crystal Structure of 4-Chlorocatechol 1,2-dioxygenase from Rhodococcus opacus 1CP | 分子名称: | (1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE, BENZOIC ACID, Chlorocatechol 1,2-dioxygenase, ... | 著者 | Ferraroni, M, Solyanikova, I.P, Kolomytseva, M.P, Scozzafava, A, Golovleva, L.A, Briganti, F. | 登録日 | 2004-02-04 | 公開日 | 2004-06-01 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Crystal structure of 4-chlorocatechol 1,2-dioxygenase from the chlorophenol-utilizing gram-positive Rhodococcus opacus 1CP. J.Biol.Chem., 279, 2004
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1BV3
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![BU of 1bv3 by Molmil](/molmil-images/mine/1bv3) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA | 分子名称: | 4-(HYDROXYMERCURY)BENZOIC ACID, PROTEIN (CARBONIC ANHYDRASE II), UREA, ... | 著者 | Briganti, F, Mangani, S, Scozzafava, A, Vernaglione, G, Supuran, C.T. | 登録日 | 1998-09-22 | 公開日 | 1999-09-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction? J.Biol.Inorg.Chem., 4, 1999
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1AVN
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![BU of 1avn by Molmil](/molmil-images/mine/1avn) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR | 分子名称: | AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ... | 著者 | Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T. | 登録日 | 1997-09-17 | 公開日 | 1997-12-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine. Biochemistry, 36, 1997
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2O4Z
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![BU of 2o4z by Molmil](/molmil-images/mine/2o4z) | Crystal structure of the Carbonic Anhydrase II complexed with hydroxysulfamide inhibitor | 分子名称: | Carbonic anhydrase 2, MERCURY (II) ION, N-hydroxysulfamide, ... | 著者 | Temperini, C, Winum, J.Y, Montero, J.L, Scozzafava, a, Supuran, c.t. | 登録日 | 2006-12-05 | 公開日 | 2007-05-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Carbonic anhydrase inhibitors: The X-ray crystal structure of the adduct of N-hydroxysulfamide with isozyme II explains why this new zinc binding function is effective in the design of potent inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2ABE
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![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
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2BOY
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![BU of 2boy by Molmil](/molmil-images/mine/2boy) | Crystal structure of 3-ChloroCatechol 1,2-Dioxygenase from Rhodococcus Opacus 1CP | 分子名称: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 3-CHLOROCATECHOL 1,2-DIOXYGENASE, BENZHYDROXAMIC ACID, ... | 著者 | Ferraroni, M, Solyanikova, I.P, Kolomytseva, M.P, Scozzafava, A, Golovleva, L.A, Briganti, F. | 登録日 | 2005-04-15 | 公開日 | 2006-08-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of 3-chlorocatechol 1,2-dioxygenase key enzyme of a new modified ortho-pathway from the Gram-positive Rhodococcus opacus 1CP grown on 2-chlorophenol. J. Mol. Biol., 360, 2006
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1ZE8
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![BU of 1ze8 by Molmil](/molmil-images/mine/1ze8) | Carbonic anhydrase II in complex with a membrane-impermeant sulfonamide inhibitor | 分子名称: | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ... | 著者 | Menchise, V, De Simone, G, Alterio, V, Di Fiore, A, Pedone, C, Scozzafava, A, Supuran, C.T. | 登録日 | 2005-04-18 | 公開日 | 2005-10-18 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II J.Med.Chem., 48, 2005
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2AW1
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![BU of 2aw1 by Molmil](/molmil-images/mine/2aw1) | Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II "selective" inhibitor Celecoxib | 分子名称: | 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ... | 著者 | Di Fiore, A, Pedone, C, D'Ambrosio, K, Scozzafava, A, De Simone, G, Supuran, C.T. | 登録日 | 2005-08-31 | 公開日 | 2006-07-04 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II Bioorg.Med.Chem.Lett., 16, 2006
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2Q1Q
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![BU of 2q1q by Molmil](/molmil-images/mine/2q1q) | Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | 分子名称: | Carbonic anhydrase 2, MERCURY (II) ION, SULTHIAME, ... | 著者 | Temperini, C, Innocenti, A, Mastrolorenzo, A, Scozzafava, A, Supuran, C.T. | 登録日 | 2007-05-25 | 公開日 | 2007-09-11 | 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 the antiepileptic drug sulthiame with twelve mammalian isoforms: Kinetic and X-ray crystallographic studies. Bioorg.Med.Chem.Lett., 17, 2007
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3B4F
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![BU of 3b4f by Molmil](/molmil-images/mine/3b4f) | Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | 分子名称: | 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ... | 著者 | Guzel, o, Temperini, c, Innocenti, a, Scozzafava, A, Salman, a, Supuran, c.t. | 登録日 | 2007-10-24 | 公開日 | 2008-01-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies. Bioorg.Med.Chem.Lett., 18, 2008
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3T6V
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![BU of 3t6v by Molmil](/molmil-images/mine/3t6v) | Crystal Structure of Laccase from Steccherinum ochraceum | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | 著者 | Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M. | 登録日 | 2011-07-29 | 公開日 | 2012-04-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments. J.Inorg.Biochem., 111, 2012
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3T71
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![BU of 3t71 by Molmil](/molmil-images/mine/3t71) | Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (90% dose) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | 著者 | Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M. | 登録日 | 2011-07-29 | 公開日 | 2012-04-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments. J.Inorg.Biochem., 111, 2012
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5M21
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![BU of 5m21 by Molmil](/molmil-images/mine/5m21) | Crystal structure of hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 with 4-hydroxybenzoate bound | 分子名称: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit, ... | 著者 | Ferraroni, M, Da Vela, S, Scozzafava, A, Kolvenbach, B, Corvini, P.F.X. | 登録日 | 2016-10-11 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | The crystal structures of native hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 and of substrate and inhibitor complexes. Biochim. Biophys. Acta, 1865, 2017
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5M22
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![BU of 5m22 by Molmil](/molmil-images/mine/5m22) | Crystal structure of hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 | 分子名称: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | 著者 | Ferraroni, M, Da Vela, S, Scozzafava, A, Kolvenbach, B, Corvini, P.F.X. | 登録日 | 2016-10-11 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The crystal structures of native hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 and of substrate and inhibitor complexes. Biochim. Biophys. Acta, 1865, 2017
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