Author results

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
4RFC
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH TERT-BUTYL 4-(4-SULFAMOYLPHENOXY)BUTYLCARBAMATE
分子名称:Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
著者Bozdag, M., Pinard, M.A., Carta, F., Masini, E., Scozzafava, A., Mckenna, R., Supuran, C.T.
登録日2014-09-25
公開日2015-04-15
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.645 Å)
主引用文献A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
4RFD
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM
分子名称:Carbonic anhydrase 2, ZINC ION, 4-(4-sulfamoyl-phenoxy)-butylammonium, ...
著者Bozdag, M., Pinard, M.A., Carta, F., Masini, E., Scozzafava, A., Mckenna, R., Supuran, C.T.
登録日2014-09-25
公開日2015-04-15
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
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
4RUX
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-(ALLYLOXY)BENZENESULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 4-(allyloxy)benzenesulfonamide, ...
著者Pinard, M.A., Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RUY
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-PROPOXYBENZENESULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 4-propoxybenzenesulfonamide, ...
著者Pinard, M.A., Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RUZ
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-ETHOXYBENZENESULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 4-ethoxybenzenesulfonamide, ...
著者Pinard, M.A., Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RXY
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CRYSTAL STRUCTURE OF THE BETA CARBONIC ANHYDRASE PSCA3 ISOLATED FROM PSEUDOMONAS AERUGINOSA
分子名称:Carbonic anhydrase, ZINC ION, GLYCEROL
著者Pinard, M.A., Mckenna, R.
登録日2014-12-12
公開日2015-06-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structure and inhibition studies of a type II beta-carbonic anhydrase psCA3 from Pseudomonas aeruginosa.
Bioorg.Med.Chem., 23, 2015
4TSH
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A NOVEL PROTEIN FOLD FORMS AN INTRAMOLECULAR LOCK TO STABILIZE THE TERTIARY STRUCTURE OF STREPTOCOCCUS MUTANS ADHESIN P1
分子名称:Surface protein adhesin, CALCIUM ION, MAGNESIUM ION
著者Heim, K.P., Kailasan, S., McKenna, R., Brady, L.J.
登録日2014-06-18
公開日2014-10-22
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An intramolecular lock facilitates folding and stabilizes the tertiary structure of Streptococcus mutans adhesin P1.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
5BQ1
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CAPTURING CARBON DIOXIDE IN BETA CARBONIC ANHYDRASE
分子名称:Carbonic anhydrase, ZINC ION, CARBON DIOXIDE
著者Aggarwal, M., Chua, T.K., Pinard, M.A., Szebenyi, D.M., McKenna, R.
登録日2015-05-28
公開日2015-10-28
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Carbon Dioxide "Trapped" in a beta-Carbonic Anhydrase.
Biochemistry, 54, 2015
5C8I
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JOINT X-RAY/NEUTRON STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH METHAZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide
著者Aggarwal, M., Kovalevsky, A.Y., Fisher, S.Z., McKenna, R.
登録日2015-06-25
公開日2016-07-20
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.56 Å), NEUTRON DIFFRACTION
主引用文献Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug.
IUCrJ, 3, 2016
5DSK
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STRUCTURE OF CO2 RELEASED HOLO-FORM OF HUMAN CARBONIC ANHYDRASE II WITH 3 MIN WARMING
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL
著者Kim, C.U., Park, S.Y., McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSL
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STRUCTURE OF CO2 RELEASED HOLO-FORM OF HUMAN CARBONIC ANHYDRASE II WITH 10 MIN WARMING
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL
著者Kim, C.U., Park, S.Y., McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSM
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STRUCTURE OF CO2 RELEASED HOLO-FORM OF HUMAN CARBONIC ANHYDRASE II WITH 25 MIN WARMING
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL
著者Kim, C.U., Park, S.Y., McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSO
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STRUCTURE OF CO2 BOUND APO-FORM OF HUMAN CARBONIC ANHYDRASE II WITH 0 SEC (NO) WARMING
分子名称:Carbonic anhydrase 2, GLYCEROL, CARBON DIOXIDE
著者Kim, C.U., Park, S.Y., McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSP
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STRUCTURE OF CO2 RELEASED APO-FORM OF HUMAN CARBONIC ANHYDRASE II WITH 40 SEC WARMING
分子名称:Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U., Park, S.Y., McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSQ
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STRUCTURE OF CO2 RELEASED APO-FORM OF HUMAN CARBONIC ANHYDRASE II WITH 3 MIN WARMING
分子名称:Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U., Park, S.Y., McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSR
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STRUCTURE OF CO2 RELEASED APO-FORM OF HUMAN CARBONIC ANHYDRASE II WITH 10 MIN WARMING
分子名称:Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U., Park, S.Y., McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016