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5WG7
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BU of 5wg7 by Molmil
Human Carbonic Anhydrase II complexed with AceK
分子名称: Acesulfame, Carbonic anhydrase 2, GLYCEROL, ...
著者Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R.
登録日2017-07-13
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献"Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
5WGP
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BU of 5wgp by Molmil
Human Carbonic Anhydrase IX-mimic complexed with AceK
分子名称: Acesulfame, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R.
登録日2017-07-14
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献"Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
6UGQ
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BU of 6ugq by Molmil
Human Carbonic Anhydrase IX-mimic complexed with SB4-206
分子名称: 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6U4T
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BU of 6u4t by Molmil
Carbonic anhydrase 9 in complex with SB4197
分子名称: 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-08-26
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.356 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UH0
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BU of 6uh0 by Molmil
Human Carbonic Anhydrase 2 in complex with SB4-202
分子名称: 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.306 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UGR
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BU of 6ugr by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-208
分子名称: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6U4Q
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BU of 6u4q by Molmil
Carbonic anhydrase 2 in complex with SB4197
分子名称: 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-08-26
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.306 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UGZ
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BU of 6ugz by Molmil
Human Carbonic Anhydrase IX-mimic complexed with SB4-208
分子名称: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.306 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UGN
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BU of 6ugn by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-205
分子名称: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
著者Murray, A.B, Supuran, C.T, McKenna, R.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.406 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UGO
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BU of 6ugo by Molmil
Human Carbonic Anhydrase IX-mimic complexed with SB4-205
分子名称: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ...
著者Murray, A.B, McKenna, R, Lomelino, C.L.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.457 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UGP
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BU of 6ugp by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-206
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ...
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.306 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6CJV
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BU of 6cjv by Molmil
Carbonic anhydrase IX-mimic in complex with sucralose
分子名称: 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Carbonic anhydrase 2, ZINC ION
著者Lomelino, C.L, Murray, A.B, McKenna, R.
登録日2018-02-26
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.547 Å)
主引用文献Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose.
ACS Med Chem Lett, 9, 2018
6D2M
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BU of 6d2m by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
分子名称: Carbonic anhydrase, IMIDAZOLE, ZINC ION
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2J
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BU of 6d2j by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
分子名称: Carbonic anhydrase, POTASSIUM ION, THIOCYANATE ION, ...
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2O
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BU of 6d2o by Molmil
Beta Carbonic anhydrase in complex with 4-methylimidazole
分子名称: 4-METHYLIMIDAZOLE, Carbonic anhydrase, ZINC ION
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2N
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BU of 6d2n by Molmil
Beta Carbonic anhydrase in complex with a sulfonamide anion
分子名称: Carbonic anhydrase, ZINC ION, sulfuric diamide
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6Y74
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BU of 6y74 by Molmil
X-ray crystal structure of human carbonic anhydrase IX catalytic domain.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
著者Fisher, S.Z, Koruza, K.
登録日2020-02-28
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Biophysical Characterization of Cancer-Related Carbonic Anhydrase IX
Int J Mol Sci, 21, 2020
7RRE
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BU of 7rre by Molmil
Carbonic Anhydrase II in complex with Beta-Galactose-2C
分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, GLYCEROL, ...
著者McKenna, R, Combs, J.E.
登録日2021-08-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published
7RRF
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BU of 7rrf by Molmil
Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C
分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, McKenna, R.
登録日2021-08-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published

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件を2024-07-24に公開中

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