Author results

6E8P
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CA IX MIMIC COMPLEXED WITH STEROIDAL SULFAMATE COMPOUND STX 49
分子名称:Carbonic anhydrase 2, ZINC ION, (14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate
著者Andring, J.T., Mckenna, R.
登録日2018-07-30
公開日2019-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.
J. Med. Chem., 62, 2019
6E8X
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CA IX MIMIC COMPLEXED WITH STEROIDAL SULFAMATE COMPOUND STX 140
分子名称:Carbonic anhydrase 2, ZINC ION, (13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate
著者Andring, J.T., Mckenna, R.
登録日2018-07-31
公開日2019-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.
J. Med. Chem., 62, 2019
6E91
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CA IX MIMIC COMPLEXED WITH STEROIDAL SULFAMATE COMPOUND STX 2484
分子名称:Carbonic anhydrase 2, ZINC ION, 7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
著者Andring, J.T., Mckenna, R.
登録日2018-07-31
公開日2019-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.
J. Med. Chem., 62, 2019
6E92
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CA IX MIMIC COMPLEXED WITH STEROIDAL SULFAMATE COMPOUND STX 2845
分子名称:Carbonic anhydrase 2, ZINC ION, 6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium
著者Andring, J.T., Mckenna, R.
登録日2018-07-31
公開日2019-03-27
実験手法X-RAY DIFFRACTION (1.772 Å)
主引用文献3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.
J. Med. Chem., 62, 2019
6MBV
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CARBONIC ANHYDRASE II IN COMPLEX WITH NICOTINIC ACID
分子名称:Carbonic anhydrase 2, ZINC ION, NICOTINIC ACID, ...
著者Lomelino, C.L., McKenna, R.
登録日2018-08-30
公開日2019-03-13
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6MBY
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CARBONIC ANHYDRASE II IN COMPLEX WITH FERULIC ACID
分子名称:Carbonic anhydrase 2, ZINC ION, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
著者Lomelino, C.L., McKenna, R.
登録日2018-08-30
公開日2019-03-13
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6FJI
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JOINT NEUTRON AND X-RAY CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE IX MIMIC (APO).
分子名称:Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z.
登録日2018-01-22
公開日2019-02-06
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.6 Å), NEUTRON DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
6FJJ
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JOINT NEUTRON AND X-RAY CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE IX MIMIC (SACCHARIN).
分子名称:Carbonic anhydrase 2, ZINC ION, 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
著者Fisher, S.Z.
登録日2018-01-22
公開日2019-02-06
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.5 Å), NEUTRON DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
6GCY
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JOINT NEUTRON AND X-RAY CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE IX MIMIC (SACCHARIN-SUGAR CONJUGATE COMPLEX)
分子名称:Carbonic anhydrase 2, ZINC ION, [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside
著者Fisher, S.Z., Koruza, K.
登録日2018-04-20
公開日2019-02-06
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.3 Å), NEUTRON DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
6EBE
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
分子名称:Carbonic anhydrase 2, ZINC ION, 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
著者Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
登録日2018-08-06
公開日2018-11-28
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6ECZ
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
分子名称:Carbonic anhydrase 2, ZINC ION, 1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea
著者Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
登録日2018-08-08
公開日2018-11-28
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6EDA
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
分子名称:Carbonic anhydrase 2, ZINC ION, 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
著者Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
登録日2018-08-09
公開日2018-11-28
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6EEA
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
分子名称:Carbonic anhydrase 2, ZINC ION, 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide
著者Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
登録日2018-08-13
公開日2018-11-28
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6EEH
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
分子名称:Carbonic anhydrase 2, ZINC ION, 1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea
著者Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
登録日2018-08-14
公開日2018-11-28
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.629 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6EEO
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BIOREDUCTIVE 4-HYDROXY-3-NITRO-5-UREIDO-BENZENESULFONAMIDES SELECTIVELY TARGET THE TUMOR-ASSOCIATED CARBONIC ANHYDRASE ISOFORMS IX AND XII AND SHOW HYPOXIA-ENHANCED CYTOTOXICITY AGAINST HUMAN CANCER CELL LINES.
分子名称:Carbonic anhydrase 2, ZINC ION, 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide
著者Singh, S., McKenna, R., Supuran, C.T., Nocentini, A., Lomelino, C., Lucarini, E., Bartolucci, G., Mannelli, L.D.C., Ghelardini, C., Gratteri, P.
登録日2018-08-15
公開日2018-11-28
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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
6B59
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CARBONIC ANHYDRASE II IN COMPLEX WITH NITROGENOUS BASE-BEARING BENEZENESULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, ...
著者Lomelino, C.L., McKenna, R.M.
登録日2017-09-28
公開日2018-09-05
実験手法X-RAY DIFFRACTION (1.638 Å)
主引用文献Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.
ACS Med Chem Lett, 8, 2017
6B5A
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CARBONIC ANHYDRASE IX-MIMIC IN COMPLEX WITH NITROGENOUS BASE-BEARING BENEZENESULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
著者Lomelino, C.L., McKenna, R.M.
登録日2017-09-28
公開日2018-09-05
実験手法X-RAY DIFFRACTION (1.622 Å)
主引用文献Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.
ACS Med Chem Lett, 8, 2017
6D2J
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BETA CARBONIC ANHYDRASE IN COMPLEX WITH THIOCYANATE
分子名称:Carbonic anhydrase, ZINC ION, THIOCYANATE ION, ...
著者Murray, A., Aggarwal, M., Pinard, M., McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2M
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BETA CARBONIC ANHYDRASE IN COMPLEX WITH THIOCYANATE
分子名称:Carbonic anhydrase, ZINC ION, IMIDAZOLE
著者Murray, A., Aggarwal, M., Pinard, M., McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2N
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BETA CARBONIC ANHYDRASE IN COMPLEX WITH A SULFONAMIDE ANION
分子名称:Carbonic anhydrase, ZINC ION, sulfuric diamide
著者Murray, A., Aggarwal, M., Pinard, M., McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2O
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BETA CARBONIC ANHYDRASE IN COMPLEX WITH 4-METHYLIMIDAZOLE
分子名称:Carbonic anhydrase, ZINC ION, 4-METHYLIMIDAZOLE
著者Murray, A., Aggarwal, M., Pinard, M., McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6E9D
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SUB-2 ANGSTROM EWALD CURVATURE-CORRECTED SINGLE-PARTICLE CRYO-EM RECONSTRUCTION OF AAV-2 L336C
分子名称:Capsid protein VP1
著者Tan, Y.Z., Aiyer, S., Mietzsch, M., Hull, J.A., McKenna, R., Baker, T.S., Agbandje-McKenna, M., Lyumkis, D.
登録日2018-07-31
公開日2018-08-15
最終更新日2018-09-19
実験手法ELECTRON MICROSCOPY (1.86 Å)
主引用文献Sub-2 angstrom Ewald curvature corrected structure of an AAV2 capsid variant.
Nat Commun, 9, 2018
6CJV
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CARBONIC ANHYDRASE IX-MIMIC IN COMPLEX WITH SUCRALOSE
分子名称:Carbonic anhydrase 2, ZINC ION, 1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside
著者Lomelino, C.L., Murray, A.B., McKenna, R.
登録日2018-02-26
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.547 Å)
主引用文献Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose.
ACS Med Chem Lett, 9, 2018
5WLR
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CARBONIC ANHYDRASE IX-MIMIC IN COMPLEX WITH ARYLOXY-2-HYDROXYPROPYLAMMINE SULFONAMIDE
分子名称:Carbonic Anhydrase IX-mimic, ZINC ION, 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, ...
著者Lomelino, C.L., Andring, J.T., McKenna, R.
登録日2017-07-27
公開日2018-08-01
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published