6SB9
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6SAS
| Human Carbonic Anhydrase II in complex with fragment. | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-07-17 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 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
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6SD7
| Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide, 2,3,4,5,6-pentafluorobenzenesulfonamide, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-07-26 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.05 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
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6SDH
| 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
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6SE2
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6SC3
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6S9Z
| Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene, Carbonic anhydrase 2, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-07-15 | 公開日 | 2020-04-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (0.95 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
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6SAY
| Human Carbonic Anhydrase II in complex with fragment. | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one, Carbonic anhydrase 2, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-07-18 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.95 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
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6SB7
| Human Carbonic Anhydrase II in complex with fragment. | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloranylthiophene-2-sulfonamide, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-07-19 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.09 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
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6S9Y
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6SBH
| Human Carbonic Anhydrase II in complex with 4-pentylbenzenesulfonamide. | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-pentylbenzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | 登録日 | 2019-07-20 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.95 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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6SBM
| 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
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6SF9
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6SFU
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6S9G
| Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | 登録日 | 2019-07-12 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.14 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
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6SOX
| Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-carbamoylbenzoic acid | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-aminocarbonylbenzoic acid, DIMETHYL SULFOXIDE, ... | 著者 | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | 登録日 | 2019-08-30 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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6SDI
| 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
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6SDN
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6SFQ
| 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
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6SBL
| 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
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6SDJ
| Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol | 分子名称: | (2~{R})-1-azanylpropan-2-ol, (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-07-27 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.02 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
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6SDO
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6SEY
| 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
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6SAC
| N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2019-07-16 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.02 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
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6SFA
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