8FQX
 
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8FQZ
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8FR1
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8FQY
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8FR2
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8FR4
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4M2U
 | | Carbonic Anhydrase II in complex with Dorzolamide | | 分子名称: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | | 著者 | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | | 登録日 | 2013-08-05 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
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8UH4
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4N16
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2FNM
 | | Activation of human carbonic anhdyrase II by exogenous proton donors | | 分子名称: | ZINC ION, carbonic anhydrase 2 | | 著者 | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | | 登録日 | 2006-01-11 | | 公開日 | 2006-11-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
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2FNN
 | | Activation of human carbonic anhydrase II by exogenous proton donors | | 分子名称: | 4-METHYLIMIDAZOLE, Carbonic Anhydrase 2, ZINC ION | | 著者 | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | | 登録日 | 2006-01-11 | | 公開日 | 2006-11-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
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2FNK
 | | Activation of Human Carbonic Anhydrase II by exogenous proton donors | | 分子名称: | Carbonic anhydrase 2, ZINC ION | | 著者 | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | | 登録日 | 2006-01-11 | | 公開日 | 2006-11-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
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2HFW
 | | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III | | 分子名称: | Carbonic anhydrase 3, ZINC ION | | 著者 | Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N. | | 登録日 | 2006-06-26 | | 公開日 | 2007-05-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
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8DJ9
 | | Carbonic Anhydrase II in complex with Ibuprofen | | 分子名称: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, ... | | 著者 | Combs, J.C, McKenna, R, Andring, J.T. | | 登録日 | 2022-06-30 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Ibuprofen: a weak inhibitor of carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 78, 2022
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5KQY
 | | Protease E35D-DRV | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease E35D-DRV | | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | 登録日 | 2016-07-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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4ZWZ
 | | 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
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5KR1
 | | Protease PR5-DRV | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV | | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | 登録日 | 2016-07-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KQX
 | | Protease E35D-SQV | | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV | | 著者 | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | 登録日 | 2016-07-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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4ZWX
 | | 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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8EM3
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5WG7
 | | 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
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5WGP
 | | 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
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4ZWY
 | | 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
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4ZX1
 | | Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor | | 分子名称: | (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. | | 登録日 | 2015-05-20 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.501 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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4ZX0
 | | 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
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