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4DZ7
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BU of 4dz7 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Aggarwal, M, McKenna, R.
登録日2012-02-29
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4FRC
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BU of 4frc by Molmil
Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-26
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
1ZGF
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BU of 1zgf by Molmil
carbonic anhydrase II in complex with trichloromethiazide as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE, Carbonic anhydrase II, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-21
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献carbonic anhydrase II in complex with trichloromethiazide as sulfonamide inhibitor
To be Published
4GL1
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BU of 4gl1 by Molmil
Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant
分子名称: Carbonic anhydrase 2, ZINC ION
著者West, D.M.
登録日2012-08-13
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases
To be Published
4E49
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BU of 4e49 by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, RESORCINOL, ...
著者Cohen, S.M, Martin, D.P.
登録日2012-03-12
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E5Q
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BU of 4e5q by Molmil
Human Carbonic Anhydrase II in complex with cyanate
分子名称: Carbonic anhydrase 2, ZINC ION, cyanic acid
著者West, D, McKenna, R.
登録日2012-03-14
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7024 Å)
主引用文献Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest.
Acta Crystallogr F Struct Biol Commun, 70, 2014
1YDB
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BU of 1ydb by Molmil
STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Nair, S.K, Christianson, D.W.
登録日1994-12-22
公開日1995-02-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of inhibitor affinity to variants of human carbonic anhydrase II.
Biochemistry, 34, 1995
4FIK
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BU of 4fik by Molmil
Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products
分子名称: 2,4-dihydroxybenzenesulfenic acid, 4,4'-disulfanediyldibenzene-1,3-diol, 4-MERCAPTOBENZENE-1,3-DIOL, ...
著者Sippel, K.H, Genis, C, Govindasamy, L, Agbandje-McKenna, M, Tripp, B.C, McKenna, R.
登録日2012-06-08
公開日2012-06-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II.
J Phys Chem Lett, 1, 2010
4E4A
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BU of 4e4a by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: 2-sulfanylbenzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Cohen, S.M, Martin, D.P.
登録日2012-03-12
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
1ZSA
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BU of 1zsa by Molmil
CARBONIC ANHYDRASE II MUTANT E117Q, APO FORM
分子名称: CARBONIC ANHYDRASE II
著者Lesburg, C.A, Christianson, D.W.
登録日1996-01-09
公開日1996-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reversal of the hydrogen bond to zinc ligand histidine-119 dramatically diminishes catalysis and enhances metal equilibration kinetics in carbonic anhydrase II.
Biochemistry, 35, 1996
1ZSB
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BU of 1zsb by Molmil
CARBONIC ANHYDRASE II MUTANT E117Q, TRANSITION STATE ANALOGUE ACETAZOLAMIDE
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1996-01-09
公開日1996-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reversal of the hydrogen bond to zinc ligand histidine-119 dramatically diminishes catalysis and enhances metal equilibration kinetics in carbonic anhydrase II.
Biochemistry, 35, 1996
1ZSC
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BU of 1zsc by Molmil
CARBONIC ANHYDRASE II MUTANT E117Q, HOLO FORM
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1996-01-09
公開日1996-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reversal of the hydrogen bond to zinc ligand histidine-119 dramatically diminishes catalysis and enhances metal equilibration kinetics in carbonic anhydrase II.
Biochemistry, 35, 1996
4HEY
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BU of 4hey by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HEW
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BU of 4hew by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: 2-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6984 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HBA
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BU of 4hba by Molmil
Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Boone, C.D, Habibzadegan, A, McKenna, R.
登録日2012-09-27
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond.
Acta Crystallogr.,Sect.D, 69, 2013
4ETQ
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BU of 4etq by Molmil
Vaccinia virus D8L IMV envelope protein in complex with Fab of murine IgG2a LA5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Matho, M.H, Zajonc, D.M.
登録日2012-04-24
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
2AW1
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BU of 2aw1 by Molmil
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
4FL7
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BU of 4fl7 by Molmil
The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide
分子名称: BENZHYDROXAMIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2012-06-14
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 48, 2012
4FPT
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BU of 4fpt by Molmil
Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-22
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
4HF3
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BU of 4hf3 by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: Carbonic anhydrase 2, IMIDAZOLE, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.1476 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
1ZNC
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BU of 1znc by Molmil
HUMAN CARBONIC ANHYDRASE IV
分子名称: CARBONIC ANHYDRASE IV, SULFATE ION, ZINC ION
著者Stams, T, Christianson, D.W.
登録日1996-09-17
公開日1997-09-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the secretory form of membrane-associated human carbonic anhydrase IV at 2.8-A resolution.
Proc.Natl.Acad.Sci.USA, 93, 1996
1ZFQ
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BU of 1zfq by Molmil
carbonic anhydrase II in complex with ethoxzolamidphenole as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Carbonic anhydrase II, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-20
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献carbonic anhydrase II in complex with ethoxzolamidphenole as sulfonamide inhibitor
To be Published
4E9O
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BU of 4e9o by Molmil
Vaccinia D8L ectodomain structure
分子名称: IMV membrane protein, IODIDE ION
著者Matho, M.H, Zajonc, D.M.
登録日2012-03-21
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
1Z97
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BU of 1z97 by Molmil
Human Carbonic Anhydrase III: Structural and Kinetic Study of Catalysis and Proton Transfer.
分子名称: Carbonic anhydrase III, ZINC ION
著者Duda, D.M, Tu, C, Fisher, S.Z, An, H, Yoshioka, C, Govindasamy, L, Laipis, P.J, Agbandje-McKenna, M, Silverman, D.N, McKenna, R.
登録日2005-03-31
公開日2005-08-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Carbonic Anhydrase III: Structural and Kinetic Study of Catalysis and Proton Transfer
Biochemistry, 44, 2005
1ZFK
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BU of 1zfk by Molmil
carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase II, GLYCEROL, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-20
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor
To be Published

221716

件を2024-06-26に公開中

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