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4YGL
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BU of 4ygl by Molmil
NaClO4--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
分子名称: Carbonic anhydrase 2, HYDROXIDE ION, PERCHLORATE ION, ...
著者Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
登録日2015-02-26
公開日2015-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4YGK
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BU of 4ygk by Molmil
NaSCN--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
分子名称: Carbonic anhydrase 2, HYDROXIDE ION, THIOCYANATE ION, ...
著者Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
登録日2015-02-26
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4YHA
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BU of 4yha by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with methazolamide
分子名称: Alpha-carbonic anhydrase, CHLORIDE ION, GLYCEROL, ...
著者Roujeinikova, A, Modak, J.K.
登録日2015-02-27
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Plos One, 10, 2015
5AMG
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BU of 5amg by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5AML
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BU of 5aml by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5AMD
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BU of 5amd by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
4YVY
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BU of 4yvy by Molmil
Crystal structure of human carbonic anhydrase II in complex with hydroxylamine-O-sulfonamide, a molecule incorporating two zinc-binding groups.
分子名称: Carbonic anhydrase 2, ZINC ION, amino(aminooxy)sulfane dioxide
著者Di Fiore, A, De Simone, G.
登録日2015-03-20
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A VERSATILE ZINC-BINDING GROUP FOR CARBONIC ANHYDRASE INHIBITORS
To Be Published
4YWP
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BU of 4ywp by Molmil
Sucrose Binding Site in genetically engineered Carbonic anhydrase IX
分子名称: Carbonic anhydrase 2, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Pinard, M.A, Aggarwal, M.
登録日2015-03-20
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4YX4
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BU of 4yx4 by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1).
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4YXI
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BU of 4yxi by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2).
分子名称: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4YXU
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BU of 4yxu by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4).
分子名称: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4YXO
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BU of 4yxo by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3).
分子名称: 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4YYT
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BU of 4yyt by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5).
分子名称: 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-24
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4Z0Q
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BU of 4z0q by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-26
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
4Z1E
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BU of 4z1e by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
4Z1J
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BU of 4z1j by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
4Z1N
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BU of 4z1n by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
4Z1K
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BU of 4z1k by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
4ZAO
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BU of 4zao by Molmil
Genetically engineered Carbonic anhydrase IX
分子名称: Carbonic anhydrase 2, ZINC ION
著者Pinard, M.A, Aggarwal, M.
登録日2015-04-13
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX.
Acta Crystallogr F Struct Biol Commun, 71, 2015
5A25
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BU of 5a25 by Molmil
Rational engineering of a mesophilic carbonic anhydrase to an extreme halotolerant biocatalyst
分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, SODIUM ION, ...
著者Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
登録日2015-05-12
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
4ZWI
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BU of 4zwi by Molmil
Surface Lysine Acetylated Human Carbonic Anhydrase II in Complex with a Sulfamate-Based Inhibitor
分子名称: (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L, Mahon, B.P, McKenna, M.
登録日2015-05-19
公開日2015-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Observed surface lysine acetylation of human carbonic anhydrase II expressed in Escherichia coli.
Protein Sci., 24, 2015
4ZWZ
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BU of 4zwz by Molmil
Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R.
登録日2015-05-19
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates.
J.Med.Chem., 58, 2015
4ZWY
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BU of 4zwy by Molmil
Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor
分子名称: (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, Carbonic anhydrase 2, GLYCEROL, ...
著者Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R.
登録日2015-05-19
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates.
J.Med.Chem., 58, 2015
4ZX0
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BU of 4zx0 by Molmil
Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Mahon, B.P, Lomelino, C.L, Pinard, M.A, McKenna, R.
登録日2015-05-19
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX using Structure-Activity Relationships of Glucosyl-Based Sulfamates
J. Med. Chem., 58, 2015
4ZWX
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BU of 4zwx by Molmil
Engineered Carbonic Anhydrase IX mimic in complex with glucosyl sulfamate inhibitor
分子名称: (1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R.
登録日2015-05-19
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates.
J.Med.Chem., 58, 2015

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件を2024-09-11に公開中

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