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8ERK
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BU of 8erk by Molmil
Acheta domesticus segmented densovirus, high buoyancy (HB) capsid, a mixed population of empty and immature full particles
Descriptor: Acheta domesticus segmented densovirus major capsid protein
Authors:Penzes, J.J, McKenna, R, Tijssen, P.
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
8ER8
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BU of 8er8 by Molmil
Acheta domesticus segmented densovirus, mature virion capsid structure
Descriptor: Acheta domesticus segmented densovirus major capsid protein, DNA (5'-D(P*AP*AP*TP*AP*A)-3')
Authors:Penzes, J.J, McKenna, R, Tijssen, P.
Deposit date:2022-10-11
Release date:2022-11-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
8EM3
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BU of 8em3 by Molmil
Carbonic Anhydrase II in complex with the diaryl urea molecule J2
Descriptor: 4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J, McKenna, R.
Deposit date:2022-09-26
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Prospective Diaryl urea: Prevent growth of breast cancer cells by inhibition and down-regulation of Carbonic Anhydrase IX.
To Be Published
1XV8
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BU of 1xv8 by Molmil
Crystal Structure of Human Salivary Alpha-Amylase Dimer
Descriptor: Alpha-amylase, CALCIUM ION, CHLORIDE ION
Authors:Fisher, S.Z, Govindasamy, L, Tu, C.K, Silverman, D.N, Rajaniemi, H, McKenna, R.
Deposit date:2004-10-27
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Human Salivary Alpha-Amylase Dimer
To be Published
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
3D9Z
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BU of 3d9z by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-05-28
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DCS
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BU of 3dcs by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DCW
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BU of 3dcw by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DAZ
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BU of 3daz by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-05-30
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DCC
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BU of 3dcc by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-03
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3D8W
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BU of 3d8w by Molmil
Use of a carbonic Anhydrase II, IX Active-site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase II, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-05-26
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DBU
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BU of 3dbu by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-02
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DD0
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BU of 3dd0 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DC3
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BU of 3dc3 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-03
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DC9
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BU of 3dc9 by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-03
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
6CBE
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BU of 6cbe by Molmil
Atomic structure of a rationally engineered gene delivery vector, AAV2.5
Descriptor: Capsid protein VP1
Authors:Burg, M, Rosebrough, C, Drouin, L, Bennett, A, Mietzsch, M, Chipman, P, McKenna, R, Sousa, D, Potter, M, Byrne, B, Kozyreva, O.G, Samulski, R.J, Agbandje-McKenna, M.
Deposit date:2018-02-02
Release date:2018-05-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Atomic structure of a rationally engineered gene delivery vector, AAV2.5.
J. Struct. Biol., 203, 2018
5WG7
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BU of 5wg7 by Molmil
Human Carbonic Anhydrase II complexed with AceK
Descriptor: Acesulfame, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R.
Deposit date:2017-07-13
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:"Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
5WGP
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BU of 5wgp by Molmil
Human Carbonic Anhydrase IX-mimic complexed with AceK
Descriptor: Acesulfame, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R.
Deposit date:2017-07-14
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:"Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
5W8B
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BU of 5w8b by Molmil
Carbonic anhydrase II in complex with activating histamine pyridinium derivative
Descriptor: 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Bhatt, A, Ilies, M, McKenna, R.
Deposit date:2017-06-21
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function.
Mol. Neurobiol., 55, 2018
4ZWZ
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BU of 4zwz by Molmil
Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R.
Deposit date:2015-05-19
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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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BU of 4zwy by Molmil
Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor
Descriptor: (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R.
Deposit date:2015-05-19
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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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BU of 4zx1 by Molmil
Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor
Descriptor: (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R.
Deposit date:2015-05-20
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.501 Å)
Cite: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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BU of 4zx0 by Molmil
Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Mahon, B.P, Lomelino, C.L, Pinard, M.A, McKenna, R.
Deposit date:2015-05-19
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX using Structure-Activity Relationships of Glucosyl-Based Sulfamates
J. Med. Chem., 58, 2015

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