6WQ4
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![BU of 6wq4 by Molmil](/molmil-images/mine/6wq4) | Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | Deposit date: | 2020-04-28 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6WQ5
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![BU of 6wq5 by Molmil](/molmil-images/mine/6wq5) | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | Deposit date: | 2020-04-28 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.304 Å) | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6WQ9
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![BU of 6wq9 by Molmil](/molmil-images/mine/6wq9) | Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | Deposit date: | 2020-04-28 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6WQ8
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![BU of 6wq8 by Molmil](/molmil-images/mine/6wq8) | Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | Deposit date: | 2020-04-28 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.405 Å) | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
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6E9D
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![BU of 6e9d by Molmil](/molmil-images/mine/6e9d) | Sub-2 Angstrom Ewald Curvature-Corrected Single-Particle Cryo-EM Reconstruction of AAV-2 L336C | Descriptor: | Capsid protein VP1 | Authors: | Tan, Y.Z, Aiyer, S, Mietzsch, M, Hull, J.A, McKenna, R, Baker, T.S, Agbandje-McKenna, M, Lyumkis, D. | Deposit date: | 2018-07-31 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (1.86 Å) | Cite: | Sub-2 angstrom Ewald curvature corrected structure of an AAV2 capsid variant. Nat Commun, 9, 2018
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3MYU
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![BU of 3myu by Molmil](/molmil-images/mine/3myu) | Mycoplasma genitalium MG289 | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, ACETATE ION, High affinity transport system protein p37 | Authors: | Sippel, K.H, Boehlein, S.K, Govindasamy, L, Namiki, K, Satai, Y, Quirit, J.G, Agbandje-McKenna, M, Goodison, S, Rosser, C.J, Sankaran, B, McKenna, R. | Deposit date: | 2010-05-11 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into Mycoplasma genitalium metabolism revealed by the structure of MG289, an extracytoplasmic thiamine binding lipoprotein. Proteins, 79, 2011
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5URF
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![BU of 5urf by Molmil](/molmil-images/mine/5urf) | The structure of human bocavirus 1 | Descriptor: | viral protein 3 | Authors: | Mietzsch, M, Kailasan, S, Garrison, J, Ilyas, M, Chipman, P, Kandola, K, Jansen, M, Spear, J, Sousa, D, McKenna, R, Soderlund-Venermo, M, Baker, T, Agbandje-McKenna, M. | Deposit date: | 2017-02-10 | Release date: | 2017-03-29 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural Insights into Human Bocaparvoviruses. J. Virol., 91, 2017
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7RNY
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![BU of 7rny by Molmil](/molmil-images/mine/7rny) | Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative | Descriptor: | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Combs, J, McKenna, R. | Deposit date: | 2021-07-30 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes. J.Med.Chem., 65, 2022
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7RNZ
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![BU of 7rnz by Molmil](/molmil-images/mine/7rnz) | |
7RRF
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![BU of 7rrf by Molmil](/molmil-images/mine/7rrf) | Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C | Descriptor: | 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION | Authors: | Combs, J.E, McKenna, R. | Deposit date: | 2021-08-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C To Be Published
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4G0R
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![BU of 4g0r by Molmil](/molmil-images/mine/4g0r) | Structural characterization of H-1 Parvovirus: comparison of infectious virions to replication defective particles | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Halder, S, Agbandje-McKenna, M, Nam, H.-J, Govindasamy, L, Vogel, M, Dinsart, C, Salome, N, McKenna, R. | Deposit date: | 2012-07-09 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural characterization of h-1 parvovirus: comparison of infectious virions to empty capsids. J.Virol., 87, 2013
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7RWL
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![BU of 7rwl by Molmil](/molmil-images/mine/7rwl) | Envelope-associated Adeno-associated virus serotype 2 | Descriptor: | Capsid protein VP1 | Authors: | Hull, J.A, Mietzsch, M, Chipman, P, Strugatsky, D, McKenna, R. | Deposit date: | 2021-08-20 | Release date: | 2021-10-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural characterization of an envelope-associated adeno-associated virus type 2 capsid. Virology, 565, 2021
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7RWT
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![BU of 7rwt by Molmil](/molmil-images/mine/7rwt) | Adeno-associated virus type 2 | Descriptor: | Capsid protein VP1 | Authors: | Hull, J.A, Mietzsch, M, Chipman, P, Strugatsky, D, McKenna, R. | Deposit date: | 2021-08-20 | Release date: | 2021-10-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Structural characterization of an envelope-associated adeno-associated virus type 2 capsid. Virology, 565, 2021
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4IOV
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![BU of 4iov by Molmil](/molmil-images/mine/4iov) | The structure of AAVrh32.33, a Novel Gene Delivery Vector | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein VP1 | Authors: | Mikalism, K, Nam, H.-J, Van vilet, K, Vandenberghe, L.H, Mays, L.E, McKenna, R, Wilson, J, Agbandje-McKenna, M. | Deposit date: | 2013-01-08 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The structure of AAVrh32.33, a novel gene delivery vector. J.Struct.Biol., 186, 2014
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4GBT
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![BU of 4gbt by Molmil](/molmil-images/mine/4gbt) | Structural characterization of H-1 Parvovirus: comparison of infectious virions to replication defective particles | Descriptor: | CHLORIDE ION, Capsid protein VP1, SODIUM ION | Authors: | Halder, S, Nam, H.-J, Govindasamy, L, Vogel, M, Dinsart, C, Salome, N, McKenna, R, Agbandje-McKenna, M. | Deposit date: | 2012-07-27 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural characterization of h-1 parvovirus: comparison of infectious virions to empty capsids. J.Virol., 87, 2013
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1S5O
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![BU of 1s5o by Molmil](/molmil-images/mine/1s5o) | Structural and Mutational Characterization of L-carnitine Binding to Human carnitine Acetyltransferase | Descriptor: | CARNITINE, carnitine acetyltransferase isoform 2 | Authors: | Govindasamy, L, Kukar, T, Lian, W, Pedersen, B, Gu, Y, Agbandje-Mckenna, M, Jin, S, Mckenna, R, Wu, D. | Deposit date: | 2004-01-21 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mutational characterization of l-carnitine binding to human carnitine acetyltransferase. J.Struct.Biol., 146, 2004
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6CBE
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![BU of 6cbe by Molmil](/molmil-images/mine/6cbe) | 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
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3C3T
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![BU of 3c3t by Molmil](/molmil-images/mine/3c3t) | Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | Authors: | Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N. | Deposit date: | 2008-01-28 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase. Biochemistry, 47, 2008
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3C3S
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![BU of 3c3s by Molmil](/molmil-images/mine/3c3s) | Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | Authors: | Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N. | Deposit date: | 2008-01-28 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase. Biochemistry, 47, 2008
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9CWS
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![BU of 9cws by Molmil](/molmil-images/mine/9cws) | Bufavirus 1 at pH 2.6 | Descriptor: | VP1 | Authors: | Gulkis, M.C, McKenna, R, Bennett, A.D. | Deposit date: | 2024-07-30 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Structural Characterization of Human Bufavirus 1: Receptor Binding and Endosomal pH-Induced Changes Viruses, 16, 2024
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4QC8
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![BU of 4qc8 by Molmil](/molmil-images/mine/4qc8) | Structural annotation of pathogenic bovine Parvovirus-1 | Descriptor: | VP2 | Authors: | Kailasan, S, Halder, S, Gurda, B.L, Bladek, H, Chipman, P.R, McKenna, R, Brown, K, Agbandje-McKenna, M. | Deposit date: | 2014-05-09 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of an enteric pathogen, bovine parvovirus. J.Virol., 89, 2015
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4RSO
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![BU of 4rso by Molmil](/molmil-images/mine/4rso) | The structure of the neurotropic AAVrh.8 viral vector | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, Capsid protein VP1, ... | Authors: | Halder, S, Van Vliet, K, Smith, J.K, McKenna, R, Wilson, J.M, Agbandje-McKenna, M. | Deposit date: | 2014-11-10 | Release date: | 2016-04-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of neurotropic adeno-associated virus AAVrh.8. J.Struct.Biol., 192, 2015
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6WH7
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![BU of 6wh7 by Molmil](/molmil-images/mine/6wh7) | Capsid structure of Penaeus monodon metallodensovirus following EDTA treatment | Descriptor: | Penaeus monodon metallodensovirus major capsid protein | Authors: | Penzes, J.J, Pham, H.T, Chipman, P, Bhattacharya, N, McKenna, R, Agbandje-McKenna, M, Tijssen, P. | Deposit date: | 2020-04-07 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Molecular biology and structure of a novel penaeid shrimp densovirus elucidate convergent parvoviral host capsid evolution. Proc.Natl.Acad.Sci.USA, 117, 2020
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3D9Z
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![BU of 3d9z by Molmil](/molmil-images/mine/3d9z) | 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
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3DCS
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![BU of 3dcs by Molmil](/molmil-images/mine/3dcs) | 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
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