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5SZ2
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BU of 5sz2 by Molmil
Carbonic anhydrase II in complex with 4-(3-formylphenyl)-benzenesulfonamide
Descriptor: 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
Deposit date:2016-08-12
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ7
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BU of 5sz7 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(3-quinolinyl)-benzenesulfonamide
Descriptor: 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
Deposit date:2016-08-12
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ4
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BU of 5sz4 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide
Descriptor: 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
Deposit date:2016-08-12
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
7K6X
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BU of 7k6x by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6I
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BU of 7k6i by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-20
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6K
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BU of 7k6k by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-20
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.306 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6J
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BU of 7k6j by Molmil
Carbonic Anhydrase II complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-20
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
7K6U
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BU of 7k6u by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
4Q49
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BU of 4q49 by Molmil
Room temperature neutron crystal structure of apo human carbonic anhydrase at pH 7.5
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2014-04-14
Release date:2015-02-25
Last modified:2023-09-20
Method:NEUTRON DIFFRACTION (1.8 Å)
Cite:Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer.
Proc.Natl.Acad.Sci.USA, 112, 2015
1YO1
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BU of 1yo1 by Molmil
Proton Transfer from His200 in Human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase II, SULFATE ION, ZINC ION
Authors:Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N.
Deposit date:2005-01-26
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Proton transfer in a Thr200His mutant of human carbonic anhydrase II
Proteins, 61, 2005
1YO0
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BU of 1yo0 by Molmil
Proton Transfer from His200 in Human Carbonic Anhydrase II
Descriptor: CHLORIDE ION, Carbonic anhydrase II, ZINC ION
Authors:Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N.
Deposit date:2005-01-26
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proton transfer in a Thr200His mutant of human carbonic anhydrase II
Proteins, 61, 2005
1YO2
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BU of 1yo2 by Molmil
Proton Transfer from His200 in Human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase II, ZINC ION
Authors:Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N.
Deposit date:2005-01-26
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proton transfer in a Thr200His mutant of human carbonic anhydrase II
Proteins, 61, 2005
9B7P
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BU of 9b7p by Molmil
Fab2-6 in complex with the capsid of Adeno-associated virus type 9
Descriptor: Capsid protein VP1, Fab2-6 heavy chain, Fab2-6 light chain
Authors:Mietzsch, M, McKenna, R.
Deposit date:2024-03-27
Release date:2025-04-16
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural characterization of antibody-responses following Zolgensma treatment for AAV capsid engineering to expand patient cohorts.
Nat Commun, 16, 2025
9B7Q
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BU of 9b7q by Molmil
Fab2-7 in complex with the capsid of Adeno-associated virus type 9
Descriptor: Capsid protein VP1, Fab2-7 heavy chain, Fab2-7 light chain
Authors:Mietzsch, M, McKenna, R.
Deposit date:2024-03-27
Release date:2025-04-16
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.18 Å)
Cite:Structural characterization of antibody-responses following Zolgensma treatment for AAV capsid engineering to expand patient cohorts.
Nat Commun, 16, 2025
9B7M
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BU of 9b7m by Molmil
Fab2-3 in complex with the capsid of Adeno-associated virus type 9
Descriptor: CALCIUM ION, Capsid protein VP1, Fab2-3 heavy chain, ...
Authors:Mietzsch, M, McKenna, R.
Deposit date:2024-03-27
Release date:2025-04-16
Last modified:2025-06-11
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Structural characterization of antibody-responses following Zolgensma treatment for AAV capsid engineering to expand patient cohorts.
Nat Commun, 16, 2025
9CGM
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BU of 9cgm by Molmil
The Structure of Spiroplasma Virus 4
Descriptor: Capsid protein VP1, DNA binding protein ORF8
Authors:Mietzsch, M, McKenna, R.
Deposit date:2024-06-30
Release date:2024-07-17
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:The Structure of Spiroplasma Virus 4 : Exploring the Capsid Diversity of the Microviridae.
Viruses, 16, 2024
8SD1
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BU of 8sd1 by Molmil
Carbonic anhydrase II radiation damage RT 1-30
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.C, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD7
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BU of 8sd7 by Molmil
Carbonic anhydrase II radiation damage RT 61-90
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD6
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BU of 8sd6 by Molmil
Carbonic anhydrase II radiation damage RT 31-60
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD9
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BU of 8sd9 by Molmil
Carbonic anhydrase II radiation damage RT 121-150
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SAG
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BU of 8sag by Molmil
Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57
Descriptor: 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Carbonic anhydrase II in complex with novel coumarin benzene sulfonamides
To Be Published
8SAF
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BU of 8saf by Molmil
CA II in complex with the coumarin benzene sulfonamide SG1-51
Descriptor: 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:CA in complex with novel coumarin benzene sulfonamides
To Be Published
8SD8
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BU of 8sd8 by Molmil
Carbonic anhydrase II radiation damage RT 91-120
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SF1
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BU of 8sf1 by Molmil
Carbonic anhydrase II XFEL radiation damage RT
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
9DC2
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BU of 9dc2 by Molmil
Adeno-associated virus 8 capsid
Descriptor: Capsid protein
Authors:Mietzsch, M, McKenna, R.
Deposit date:2024-08-25
Release date:2024-11-27
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structural characterization and epitope mapping of the AAVX affinity purification ligand.
Mol Ther Methods Clin Dev, 32, 2024

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