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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
8FR2
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BU of 8fr2 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQY
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BU of 8fqy by Molmil
Carbonic Anhydrase II in complex with the alkyl urea 3h
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR1
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BU of 8fr1 by Molmil
Carbonic Anhydrase IX in complex with the alkyl urea compound 3g
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQX
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BU of 8fqx by Molmil
Carbonic Anhydrase II in complex with the alkyl ureas 3g
分子名称: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Combs, J.E, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQZ
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BU of 8fqz by Molmil
Carbonic Anhydrase II in complex with the alkyl urea 3j
分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR4
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BU of 8fr4 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j
分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J.E, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.123 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
6H29
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BU of 6h29 by Molmil
HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BENZYL CARBAMATE
分子名称: (phenylmethyl) carbamate, Carbonic anhydrase 2, ZINC ION
著者Alterio, V, De Simone, G.
登録日2018-07-13
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding.
Chem. Commun. (Camb.), 54, 2018
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
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
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
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
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件を2024-06-12に公開中

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