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5LL8
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BU of 5ll8 by Molmil
Human Carbonic Anhydrase II in complex with aliphatic Benzenesulfonamide inhibitor.
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-butylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2016-07-27
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Crystallographic, kinetic and thermodynamic characterization of aliphatic Benzenesulfonamides as Ligands of human Carbonic Anhydrase II
To Be Published
6RFH
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BU of 6rfh by Molmil
Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-sulfamoylbenzoic acid, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-04-15
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.969 Å)
主引用文献Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide
To Be Published
6RG5
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BU of 6rg5 by Molmil
Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-04-16
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.089 Å)
主引用文献Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
To Be Published
6RIG
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BU of 6rig by Molmil
Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-oxidanylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-04-24
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.999 Å)
主引用文献Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide
To Be Published
6SDH
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BU of 6sdh by Molmil
Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Gloeckner, S, Haake, M, Heine, A, Klebe, G.
登録日2019-07-27
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM
To Be Published
6SBM
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BU of 6sbm by Molmil
Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentoxybenzenesulfonamide, CITRATE ANION, ...
著者Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
登録日2019-07-21
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide
To Be Published
6SFU
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BU of 6sfu by Molmil
Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide
To Be Published
6SDI
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BU of 6sdi by Molmil
Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Gloeckner, S, Haake, M, Heine, A, Klebe, G.
登録日2019-07-27
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM
To Be Published
6SFQ
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BU of 6sfq by Molmil
Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ...
著者Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione
To Be Published
6SBL
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BU of 6sbl by Molmil
Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-hexylbenzenesulfonamide, CITRATE ANION, ...
著者Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
登録日2019-07-21
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide
To Be Published
6SEY
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BU of 6sey by Molmil
Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(4-oxidanylbutyl)benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
登録日2019-07-30
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide
To Be Published
6SDL
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BU of 6sdl by Molmil
Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ...
著者Gloeckner, S, Gerber, H.D, Heine, A, Klebe, G.
登録日2019-07-28
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide
To Be Published
6SG6
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BU of 6sg6 by Molmil
Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
To Be Published
6SG0
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BU of 6sg0 by Molmil
Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide
To Be Published
6ROB
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BU of 6rob by Molmil
Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-cyanobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-05-10
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.929 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6RRG
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BU of 6rrg by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3,5-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-05-17
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.127 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6RS5
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BU of 6rs5 by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
登録日2019-05-21
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
5M78
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BU of 5m78 by Molmil
Human Carbonic Anhydrase II in complex with fragment-like inhibitor.
分子名称: 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2016-10-27
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.077 Å)
主引用文献A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6GDC
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BU of 6gdc by Molmil
Human Carbonic Anhydrase II in complex with Benzenesulfonamide
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, MERCURY (II) ION, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-04-23
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.079 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6GM9
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BU of 6gm9 by Molmil
Human Carbonic Anhydrase II in complex with 4-Methylbenzenesulfonamide
分子名称: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-05-24
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.089 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6I0W
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BU of 6i0w by Molmil
Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide
分子名称: 4-methoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-10-26
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6HXD
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BU of 6hxd by Molmil
Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide
分子名称: 4-butylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-10-17
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.119 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6HR3
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BU of 6hr3 by Molmil
Human Carbonic Anhydrase II in complex with 4-Propylbenzenesulfonamide
分子名称: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-09-26
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6HQX
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BU of 6hqx by Molmil
Human Carbonic Anhydrase II in complex with 4-Ethylbenzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-09-25
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.097 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6I2F
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BU of 6i2f by Molmil
Human Carbonic Anhydrase II in complex with 4-Propoxybenzenesulfonamide
分子名称: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-11-01
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020

 

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