4QGI
| X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir | 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, GLYCEROL, Protease | 著者 | Mahon, B.P, McKenna, R, Goldfarb, N. | 登録日 | 2014-05-22 | 公開日 | 2014-07-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | 主引用文献 | Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency. Biochemistry, 54, 2015
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5DVX
| Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 angstrom resolution | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Carbonic anhydrase 9, ... | 著者 | Mahon, B.P, Socorro, L, Driscoll, J.M, McKenna, R. | 登録日 | 2015-09-21 | 公開日 | 2016-08-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | 主引用文献 | The Structure of Carbonic Anhydrase IX Is Adapted for Low-pH Catalysis. Biochemistry, 55, 2016
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4R5A
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6BJ5
| Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1) | 分子名称: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Mahon, B.P, Lomelino, C.L, McKenna, R. | 登録日 | 2017-11-05 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1) To Be Published
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4R5B
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4R59
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4RIU
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4RIV
| A Carbonic Anhydrase IX Mimic in Complex with Saccharin | 分子名称: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Mahon, B.P, McKenna, R. | 登録日 | 2014-10-07 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | Saccharin: A lead compound for structure-based drug design of carbonic anhydrase IX inhibitors. Bioorg.Med.Chem., 23, 2015
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4XZ5
| Structure of the thermostable alpha-Carbonic Anydrase from Thiomicrospira crunogena XCL-2 gammaproteobacterium | 分子名称: | BICARBONATE ION, Carbonic anhydrase, alpha family, ... | 著者 | Mahon, B.P, Diaz-Torres, N.A, Pinard, M.A, McKenna, R. | 登録日 | 2015-02-03 | 公開日 | 2015-07-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.596 Å) | 主引用文献 | Structural and biophysical characterization of the alpha-carbonic anhydrase from the gammaproteobacterium Thiomicrospira crunogena XCL-2: insights into engineering thermostable enzymes for CO2 sequestration. Acta Crystallogr.,Sect.D, 71, 2015
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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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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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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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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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8SMU
| Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP | 分子名称: | CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ... | 著者 | Mahoney, B.J, Cascio, D, Clubb, R.T. | 登録日 | 2023-04-26 | 公開日 | 2023-09-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens. J.Inorg.Biochem., 249, 2023
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7SJY
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6UZU
| Carbonic Anhydrase IX-mimic In Complex WITH U-CH3 | 分子名称: | 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | McKenna, R, Mboge, M.Y, Mahon, B.P. | 登録日 | 2019-11-15 | 公開日 | 2020-10-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure activity study of carbonic anhydrase IX: Selective inhibition with ureido-substituted benzenesulfonamides. Eur J Med Chem, 132, 2017
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5EIJ
| Carbonic Anhydrase II in complex with Sulfonamide Inhibitor | 分子名称: | 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Lomelino, C.L, Mahon, B.P, McKenna, R. | 登録日 | 2015-10-29 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111. Bioorg. Med. Chem., 24, 2016
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6B4D
| Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | 分子名称: | 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Lomelino, C.L, Mahon, B.P, McKenna, R. | 登録日 | 2017-09-26 | 公開日 | 2018-02-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.196 Å) | 主引用文献 | Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors. ACS Med Chem Lett, 8, 2017
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5KQZ
| Protease E35D-CaP2 | 分子名称: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, Protease | 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 (1.7 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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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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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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5KR0
| Protease E35D-APV | 分子名称: | GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | 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 (1.8 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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5KR2
| Protease PR5-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 PR5-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 (1.78 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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