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PDB: 1334 件
3BET
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BU of 3bet by Molmil
Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution
分子名称: (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, GLYCEROL, ...
著者Di Fiore, A, De Simone, G.
登録日2007-11-20
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents
J.Med.Chem., 51, 2008
3B1B
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BU of 3b1b by Molmil
The unique structure of wild type carbonic anhydrase alpha-CA1 from Chlamydomonas reinhardtii
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase 1, SULFATE ION, ...
著者Shimizu, S, Takenaka, A.
登録日2011-06-29
公開日2011-11-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The unique structure of carbonic anhydrase alpha CA1 from Chlamydomonas reinhardtii
Acta Crystallogr.,Sect.D, 67, 2011
2ZNC
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MURINE CARBONIC ANHYDRASE IV
分子名称: CARBONIC ANHYDRASE IV, ZINC ION
著者Stams, T, Chen, Y, Christianson, D.W.
登録日1998-02-10
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
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
2HL4
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BU of 2hl4 by Molmil
Crystal structure analysis of human carbonic anhydrase II in complex with a benzenesulfonamide derivative
分子名称: CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ...
著者Di Fiore, A, Supuran, C.T, Winum, J.-Y, Montero, J.-L, Pedone, C, Scozzafava, A, De Simone, G.
登録日2006-07-06
公開日2007-05-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Carbonic anhydrase inhibitors: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties
Bioorg.Med.Chem.Lett., 17, 2007
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
3C7P
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BU of 3c7p by Molmil
Crystal structure of human carbonic anhydrase II in complex with STX237
分子名称: (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate, CHLORIDE ION, Carbonic anhydrase 2, ...
著者Di Fiore, A, De Simone, G.
登録日2008-02-08
公開日2009-01-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography
Mol.Cancer Ther., 7, 2008
3CA2
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BU of 3ca2 by Molmil
CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H
分子名称: 3-MERCURI-4-AMINOBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Eriksson, A.E, Jones, T.A, Liljas, A.
登録日1989-10-02
公開日1990-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
3CAJ
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BU of 3caj by Molmil
Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
著者Di Fiore, A, De Simone, G.
登録日2008-02-20
公開日2008-04-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
2HFW
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BU of 2hfw by Molmil
Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III
分子名称: Carbonic anhydrase 3, ZINC ION
著者Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N.
登録日2006-06-26
公開日2007-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
2HOC
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BU of 2hoc by Molmil
Crystal structure of the human carbonic anhydrase II in complex with the 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide inhibitor
分子名称: 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
著者Menchise, V, Di Fiore, A, De Simone, G.
登録日2006-07-14
公開日2006-10-10
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: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II.
Bioorg.Med.Chem.Lett., 16, 2006
3CYU
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BU of 3cyu by Molmil
Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon
分子名称: Carbonic anhydrase 2, MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-A, PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-A, ...
著者Aaron, J.A, Jude, K.M, Di Costanzo, L, Christianson, D.W.
登録日2008-04-26
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a 129Xe-cryptophane biosensor complexed with human carbonic anhydrase II.
J.Am.Chem.Soc., 130, 2008
3V3I
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BU of 3v3i by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
分子名称: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Fisher, S.Z, McKenna, R.
登録日2011-12-13
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
3V7X
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BU of 3v7x by Molmil
Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Mader, P, Brynda, J, Rezacova, P.
登録日2011-12-22
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
3VBD
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BU of 3vbd by Molmil
Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
分子名称: 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Mader, P, Brynda, J, Rezacova, P.
登録日2012-01-02
公開日2012-04-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
3W6H
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BU of 3w6h by Molmil
Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide
分子名称: 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 1, ...
著者Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I.
登録日2013-02-14
公開日2013-03-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.964 Å)
主引用文献Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR
To be published
3W6I
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BU of 3w6i by Molmil
Crystal structure of 19F probe-labeled hCAI
分子名称: 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION
著者Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I.
登録日2013-02-14
公開日2013-03-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR
To be published
3ZP9
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BU of 3zp9 by Molmil
Human Carbonic Anhydrase II as a Scaffold for an Artificial Transfer Hydrogenase
分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Heinisch, T, Schirmer, T.
登録日2013-02-27
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Human Carbonic Anhydrase II as Host Protein for the Creation of Artificial Metalloenzymes: The Asymmetric Transfer Hydrogenation of Imines
Chem.Sci., 4, 2013
3V5G
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BU of 3v5g by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-sulfamido-benzenesulfonamide inhibitor
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, 4-(sulfamoylamino)benzenesulfonamide, Carbonic anhydrase 2, ...
著者D'Ambrosio, K, De Simone, G.
登録日2011-12-16
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups.
J.Med.Chem., 55, 2012
3V3H
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BU of 3v3h by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
分子名称: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Fisher, S.Z, McKenna, R.
登録日2011-12-13
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
3ZNC
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BU of 3znc by Molmil
MURINE CARBONIC ANHYDRASE IV COMPLEXED WITH BRINZOLAMIDE
分子名称: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE IV, ZINC ION
著者Stams, T, Chen, Y, Christianson, D.W.
登録日1998-02-10
公開日1999-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
3V3G
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BU of 3v3g by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
分子名称: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Fisher, S.Z, McKenna, R.
登録日2011-12-13
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5581 Å)
主引用文献Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
3UYQ
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BU of 3uyq by Molmil
HCA 3
分子名称: Carbonic anhydrase 3, ZINC ION
著者Fisher, Z, McKenna, R.
登録日2011-12-06
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
8BOE
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BU of 8boe by Molmil
Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
分子名称: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2022-11-15
公開日2023-11-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
8BJX
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BU of 8bjx by Molmil
Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
分子名称: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Angeli, A, Ferraroni, M.
登録日2022-11-08
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.283 Å)
主引用文献Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
To Be Published

222415

件を2024-07-10に公開中

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