Author results

4RIU
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A CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH A SACCHARIN-BASED INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, 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2015-02-25
実験手法X-RAY DIFFRACTION (1.651 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
4RIV
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A CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH SACCHARIN
分子名称:Carbonic anhydrase 2, ZINC ION, 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ...
著者Mahon, B.P., McKenna, R.
登録日2014-10-07
公開日2015-02-04
最終更新日2015-02-25
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
4ZWX
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ENGINEERED CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH GLUCOSYL SULFAMATE INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, 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2017-09-13
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
4ZWY
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A GLUCOSYL SULFAMATE INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, ...
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2017-09-13
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
4ZWZ
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ENGINEERED CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH A GLUCOSYL SULFAMATE INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carboxylate, ...
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2015-09-09
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
4ZX0
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A GLUCOSYL SULFAMATE INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carboxylate, ...
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
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
4ZX1
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ENGINEERED CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH A GLUCOSYL SULFAMATE INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, 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
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
5DVX
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CRYSTAL STRUCTURE OF THE CATALYTIC-DOMAIN OF HUMAN CARBONIC ANHYDRASE IX AT 1.6 ANGSTROM RESOLUTION
分子名称:Carbonic anhydrase 9, ZINC ION, GLYCEROL, ...
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2017-09-27
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
6BJ5
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STRUCTURE OF THE CLINICALLY USED MYXOMAVIRAL SERINE PROTEASE INHIBITOR 1 (SERP-1)
分子名称:Serine proteinase inhibitor 1, N-ACETYL-D-GLUCOSAMINE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL
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2019-02-20
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
4QGI
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X-RAY CRYSTAL STRUCTURE OF HIV-1 PROTEASE VARIANT G48T/L89M IN COMPLEX WITH SAQUINAVIR
分子名称:Protease, (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
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2018-01-24
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
4R59
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A CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH A CARBOHYDRATE-BASED SULFAMATE
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL, ...
著者Mahon, B.P., McKenna, R.
登録日2014-08-20
公開日2014-10-15
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014
4R5A
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A CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH A CARBOHYDRATE-BASED SULFAMATE
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL, ...
著者Mahon, B.P., McKenna, R.
登録日2014-08-20
公開日2014-10-15
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014
4R5B
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A CARBOHYDRATE-BASED SULFAMATE
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL, ...
著者Mahon, B.P., McKenna, R.
登録日2014-08-20
公開日2014-10-15
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014
4XZ5
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STRUCTURE OF THE THERMOSTABLE ALPHA-CARBONIC ANYDRASE FROM THIOMICROSPIRA CRUNOGENA XCL-2 GAMMAPROTEOBACTERIUM
分子名称:Carbonic anhydrase, alpha family, ZINC ION, ...
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2017-09-27
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
4ZWI
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SURFACE LYSINE ACETYLATED HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFAMATE-BASED INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L., Mahon, B.P., McKenna, M.
登録日2015-05-19
公開日2015-08-26
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Observed surface lysine acetylation of human carbonic anhydrase II expressed in Escherichia coli.
Protein Sci., 24, 2015
5EIJ
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CARBONIC ANHYDRASE II IN COMPLEX WITH SULFONAMIDE INHIBITOR
分子名称:Carbonic anhydrase 2, ZINC ION, 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea, ...
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2018-09-05
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
5JMZ
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CARBONIC ANHYDRASE IX-MIMIC IN COMPLEX WITH U-NO2
分子名称:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
著者McKenna, R., Mboge, M.Y., Mahon, B.P.
登録日2016-04-29
公開日2017-05-03
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic Anhydrase IX-mimic IN Complex WITH U-NO2
To Be Published
5JN1
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CARBONIC ANHYDRASE IX-MIMIC IN COMPLEX WITH U-CH3
分子名称:Carbonic anhydrase 2, ZINC ION, 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, ...
著者McKenna, R., Mboge, M.Y., Mahon, B.P.
登録日2016-04-29
公開日2017-05-03
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.517 Å)
主引用文献Carbonic Anhydrase IX-mimic IN Complex WITH U-CH3
To Be Published
5JN3
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CARBONIC ANHYDRASE IX-MIMIC IN COMPLEX WITH U-F
分子名称:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
著者McKenna, R., Mboge, M.Y., Mahon, B.P.
登録日2016-04-29
公開日2017-05-03
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Carbonic Anhydrase IX-mimic IN Complex WITH U-F
To Be Published
5JN7
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CARBONIC ANHYDRASE II IN COMPLEX WITH U-CH3
分子名称:Carbonic anhydrase 2, ZINC ION, 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, ...
著者McKenna, R., Mboge, M.Y., Mahon, B.P.
登録日2016-04-29
公開日2017-05-03
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.517 Å)
主引用文献Carbonic Anhydrase II In Complex WITH U-CH3
To Be Published
5KQX
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PROTEASE E35D-SQV
分子名称:Protease E35D-SQV, (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
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2017-09-20
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
5KQY
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PROTEASE E35D-DRV
分子名称:Protease E35D-DRV, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
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2017-09-20
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
5KQZ
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PROTEASE E35D-CAP2
分子名称:Protease, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
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2017-09-20
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
5KR0
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PROTEASE E35D-APV
分子名称:Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER, GLYCEROL
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2017-09-20
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
5KR1
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PROTEASE PR5-DRV
分子名称:Protease PR5-DRV, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
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2017-09-20
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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