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5SZ4
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BU of 5sz4 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide
分子名称: 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ0
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BU of 5sz0 by Molmil
Carbonic anhydrase II in complex with 4-(phenyl)-benzenesulfonamide
分子名称: 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ5
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BU of 5sz5 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide
分子名称: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.274 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ1
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BU of 5sz1 by Molmil
Carbonic anhydrase II in complex with 4-(2-methylphenyl)-benzenesulfonamide
分子名称: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ3
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BU of 5sz3 by Molmil
Carbonic anhydrase II in complex with 4-(3-quinolinyl)-benzenesulfonamide
分子名称: 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ6
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BU of 5sz6 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(3-formylphenyl)-benzenesulfonamide
分子名称: 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
6KFS
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BU of 6kfs by Molmil
Structure of CCM related protein
分子名称: LCIB_C_CA domain-containing protein, ZINC ION
著者Jin, S, Gao, Y.G.
登録日2019-07-08
公開日2020-07-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural and biochemical characterization of novel carbonic anhydrases from Phaeodactylum tricornutum.
Acta Crystallogr D Struct Biol, 76, 2020
3P5A
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BU of 3p5a by Molmil
Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Aggarwal, M, McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Dithiocarbamates strongly inhibit carbonic anhydrases and show antiglaucoma action in vivo
J.Med.Chem., 55, 2012
3P5L
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BU of 3p5l by Molmil
Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate
分子名称: 4-cyano-4-phenylpiperidine-1-carbodithioic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations.
Chem.Commun.(Camb.), 48, 2012
3OYS
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BU of 3oys by Molmil
Human Carbonic Anhydrase II complexed with 2-{[4-AMINO-3-(3-HYDROXYPROP-1-YN-1-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]METHYL}-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE
分子名称: 2-phenyl-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-09-23
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
J.Med.Chem., 54, 2011
3T84
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BU of 3t84 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
分子名称: 4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose, Carbonic anhydrase 2, ZINC ION
著者Hofmann, A, Wang, C.K.
登録日2011-08-01
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3P4V
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BU of 3p4v by Molmil
Human carbonic anhydrase II in complex with (+)-Xylariamide A
分子名称: 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine, Carbonic anhydrase 2, ZINC ION
著者Hofmann, A, Nankervis, T, Davis, R.
登録日2010-10-07
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases.
J.Med.Chem., 54, 2011
3T83
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BU of 3t83 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
分子名称: 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose, 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose, Carbonic anhydrase 2, ...
著者Hofmann, A, Wang, C.K.
登録日2011-08-01
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
8P9E
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BU of 8p9e by Molmil
Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11
分子名称: Darpin 1810 F11, GLYCEROL, Isoform 2 of Tumor protein 63, ...
著者Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-06-05
公開日2023-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
3UK8
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BU of 3uk8 by Molmil
The crystal structure of the cd-bound domain 3 of the cadmium carbonic anhydrase from marine diatom Thalassiosira weissflogii
分子名称: ACETATE ION, CADMIUM ION, Cadmium-specific carbonic anhydrase
著者Alterio, V, De Simone, G.
登録日2011-11-09
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii.
Biochimie, 94, 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
3T85
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BU of 3t85 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
分子名称: 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose, Carbonic anhydrase 2, ZINC ION
著者Hofmann, A, Wang, C.K.
登録日2011-08-01
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3QYK
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BU of 3qyk by Molmil
Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor
分子名称: 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2011-03-03
公開日2012-03-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor
To be Published
3R17
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BU of 3r17 by Molmil
hCarbonic anhydrase II bound to N-(2-fluoro.4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biswas, S, McKenna, R.
登録日2011-03-09
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms.
Bioorg.Med.Chem., 19, 2011
3T82
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BU of 3t82 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
分子名称: 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose, Carbonic anhydrase 2, ZINC ION
著者Hofmann, A, Wang, C.K.
登録日2011-08-01
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3OYQ
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BU of 3oyq by Molmil
Structure of Human Carbonic Anhydrase II complexed with 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
分子名称: (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-09-23
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
J.Med.Chem., 54, 2011
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
3P58
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BU of 3p58 by Molmil
Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid
分子名称: Carbonic anhydrase 2, ZINC ION, benzyl(methyl)carbamodithioic acid
著者Aggarwal, M, McKenna, R.
登録日2010-10-08
公開日2011-10-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations.
Chem.Commun.(Camb.), 48, 2012
3RJ7
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BU of 3rj7 by Molmil
Human carbonic anhydrase II complexed with its inhibitor rhenium(I)triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
著者Spingler, B, Can, D, Alberto, R.
登録日2011-04-15
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献[(Cp-R)M(CO)(3) ] (M=Re or (99m) Tc) Arylsulfonamide, Arylsulfamide, and Arylsulfamate Conjugates for Selective Targeting of Human Carbonic Anhydrase IX.
Angew.Chem.Int.Ed.Engl., 51, 2012
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

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件を2024-11-06に公開中

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