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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
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
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
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
1GFF
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THE ATOMIC STRUCTURE OF THE DEGRADED PROCAPSID PARTICLE OF THE BACTERIOPHAGE G4: INDUCED STRUCTURAL CHANGES IN THE PRESENCE OF CALCIUM IONS AND FUNCTIONAL IMPLICATIONS
分子名称:BACTERIOPHAGE G4 CAPSID PROTEINS GPF, GPG, GPJ
著者Rossmann, M.G.
登録日1995-11-06
公開日1996-04-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Atomic structure of the degraded procapsid particle of the bacteriophage G4: induced structural changes in the presence of calcium ions and functional implications.
J.Mol.Biol., 256, 1996
3OAH
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STRUCTURAL CHARACTERIZATION OF THE DUAL GLYCAN BINDING ADENO-ASSOCIATED VIRUS SEROTYPE 6
分子名称:Capsid protein VP1, 6-AMINOPYRIMIDIN-2(1H)-ONE, 9-(2-deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-9H-purin-6-amine
著者Ng, R., Agbandje-McKenna, M.
登録日2010-08-05
公開日2011-03-23
最終更新日2011-10-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural characterization of the dual glycan binding adeno-associated virus serotype 6.
J.Virol., 84, 2010
5EGC
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STRUCTURE OF THE ADENO-ASSOCIATED VIRUS SEROTYPE 1 SIALIC ACID COMPLEX
分子名称:Capsid protein, O-SIALIC ACID, MAGNESIUM ION
著者Huang, L.Y., Agbandje-McKenna, M.
登録日2015-10-27
公開日2016-03-23
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Characterization of the Adeno-Associated Virus 1 and 6 Sialic Acid Binding Site.
J.Virol., 90, 2016
1AL0
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PROCAPSID OF BACTERIOPHAGE PHIX174
分子名称:SCAFFOLDING PROTEIN GPD, CAPSID PROTEIN GPF, SPIKE PROTEIN GPG, ...
著者Rossmann, M.G., Dokland, T.
登録日1997-06-06
公開日1998-01-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of a viral procapsid with molecular scaffolding.
Nature, 389, 1997
2AX2
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PRODUCTION AND X-RAY CRYSTALLOGRAPHIC ANALYSIS OF FULLY DEUTERATED HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase II, ZINC ION
著者Budayova-Spano, M., Fisher, S.Z., Dauvergne, M.T., Silverman, D.N., Myles, D.A.A., McKenna, R.M.
登録日2005-09-02
公開日2006-01-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 62, 2006
5US7
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HUMAN BOCAVIRUS 3
分子名称:VP2
著者Mietzsch, M., Agbandje-McKenna, M.
登録日2017-02-13
公開日2017-03-29
最終更新日2017-05-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
5US9
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HUMAN BOCAVIRUS 4
分子名称:Capsid protein VP2
著者Mietzsch, M., Agbandje-McKenna, M.
登録日2017-02-13
公開日2017-03-29
最終更新日2017-05-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
6B9Q
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SINGLE PARTICLE CRYO-EM STRUCTURE DETERMINATION OF THE LUIII CAPSID PROTEIN
分子名称:Capsid protein VP2
著者Pittman, N.C., Agbandje-McKenna, M.
登録日2017-10-11
公開日2017-11-15
最終更新日2017-12-06
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Atomic Resolution Structure of the Oncolytic Parvovirus LuIII by Electron Microscopy and 3D Image Reconstruction.
Viruses, 9, 2017
6BWX
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ATOMIC RESOLUTION STRUCTURE OF HUMAN BUFAVIRUS 1
分子名称:VP2
著者Mietzsch, M., Agbandje-McKenna, M.
登録日2017-12-15
公開日2018-01-24
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018
6BX0
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ATOMIC RESOLUTION STRUCTURE OF HUMAN BUFAVIRUS 2
分子名称:VP2
著者Mietzsch, M., Agbandje-McKenna, M.
登録日2017-12-15
公開日2018-01-24
実験手法ELECTRON MICROSCOPY (3.79 Å)
主引用文献Atomic Resolution Structures of Human Bufaviruses Determined by Cryo-Electron Microscopy.
Viruses, 10, 2018