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2HFW
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BU of 2hfw by Molmil
Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III
Descriptor: Carbonic anhydrase 3, ZINC ION
Authors:Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N.
Deposit date:2006-06-26
Release date:2007-05-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
5WLR
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BU of 5wlr by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic Anhydrase IX-mimic, GLYCEROL, ...
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published
5WLT
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BU of 5wlt by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
5WLV
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BU of 5wlv by Molmil
Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
7RNY
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BU of 7rny by Molmil
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
7RNZ
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BU of 7rnz by Molmil
Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative
Descriptor: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ...
Authors:Combs, J, McKenna, R.
Deposit date:2021-07-30
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 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
7RRF
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BU of 7rrf by Molmil
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
8TEY
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BU of 8tey by Molmil
Avian Adeno-associated virus - empty capsid
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein
Authors:Hsi, J, Mietzsch, M, Chipman, P, Afione, S, Zeher, A, Huang, R, Chiorini, J, McKenna, R.
Deposit date:2023-07-07
Release date:2023-08-30
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural and antigenic characterization of the avian adeno-associated virus capsid.
J.Virol., 97, 2023
8TEX
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BU of 8tex by Molmil
Avian Adeno-associated virus - empty capsid
Descriptor: Capsid protein
Authors:Hsi, J, Mietzsch, M, Chipman, P, Afione, S, Zeher, A, Huang, R, Chiorini, J, McKenna, R.
Deposit date:2023-07-07
Release date:2023-08-30
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Structural and antigenic characterization of the avian adeno-associated virus capsid.
J.Virol., 97, 2023
3NTT
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BU of 3ntt by Molmil
Structural insights of Adeno-Associated virus 5. A gene therapy Vector for Cystic Fibrosis
Descriptor: Capsid protein, GLYCEROL, SODIUM ION
Authors:Govindasamy, L, DiMattia, M, Chiorini, J.A, McKenna, R, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2010-07-05
Release date:2011-12-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural insights into adeno-associated virus serotype 5.
J.Virol., 87, 2013
8EP2
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BU of 8ep2 by Molmil
The capsid structure of Aleutian Mink Disease Virus
Descriptor: Capsid protein VP1
Authors:Mietzsch, M, McKenna, R.
Deposit date:2022-10-04
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:Capsid Structure of Aleutian Mink Disease Virus and Human Parvovirus 4: New Faces in the Parvovirus Family Portrait.
Viruses, 14, 2022
8EP9
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BU of 8ep9 by Molmil
The capsid structure of Human Parvovirus 4
Descriptor: Human Parvovirus 4
Authors:Mietzsch, M, McKenna, R.
Deposit date:2022-10-05
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Capsid Structure of Aleutian Mink Disease Virus and Human Parvovirus 4: New Faces in the Parvovirus Family Portrait.
Viruses, 14, 2022
8FQ4
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BU of 8fq4 by Molmil
AAV1 VP3 Only Capsid
Descriptor: Capsid protein
Authors:Mietzsch, M, McKenna, R.
Deposit date:2023-01-05
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Production and characterization of an AAV1-VP3-only capsid: An analytical benchmark standard.
Mol Ther Methods Clin Dev, 29, 2023
2ADP
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BU of 2adp by Molmil
Nitrated Human Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, POTASSIUM ION, Superoxide dismutase [Mn]
Authors:Quint, P, Reutzel, R, Mikulski, R, McKenna, R, Silverman, D.N.
Deposit date:2005-07-20
Release date:2006-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of nitrated human manganese superoxide dismutase: mechanism of inactivation.
FREE RADIC.BIOL.MED., 40, 2006
3NG9
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BU of 3ng9 by Molmil
Structure to Function Correlations for Adeno-associated Virus Serotype 1
Descriptor: 6-AMINOPYRIMIDIN-2(1H)-ONE, ADENINE, Capsid protein
Authors:Govindasamy, L, Miller, E.B, Gurda, B, McKenna, R, Zolotukhin, S, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2010-06-11
Release date:2011-12-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure to Function Correlations for Adeno-Associated Virus serotype 1
To be Published
2ADQ
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BU of 2adq by Molmil
Human Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, POTASSIUM ION, Superoxide dismutase [Mn]
Authors:Quint, P, Reutzel, R, Mikulski, R, McKenna, R, Silverman, D.N.
Deposit date:2005-07-20
Release date:2006-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of nitrated human manganese superoxide dismutase: mechanism of inactivation.
FREE RADIC.BIOL.MED., 40, 2006
3UX1
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BU of 3ux1 by Molmil
Structural Characterization of Adeno-Associated Virus Serotype 9
Descriptor: Capsid protein VP1
Authors:DiMattia, M.A, Nam, H.-J, Van Vliet, K, Mitchell, M, McCall, A, Bennett, A, Gurda, B, McKenna, R, Potter, M, Sakai, Y, Byrne, B.J, Muzyczka, N, Aslanidi, G, Zolotukhin, S, Olson, N, Sinkovitis, R, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2011-12-03
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the unique properties of adeno-associated virus serotype 9.
J.Virol., 86, 2012
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
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:The Structure of Spiroplasma Virus 4: Exploring the Capsid Diversity of the Microviridae
Viruses, 2024
1LZV
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BU of 1lzv by Molmil
Site-Specific Mutant (Tyr7 replaced with His) of Human Carbonic Anhydrase II
Descriptor: Carbonic Anhydrase II, ZINC ION
Authors:Tu, C.K, Qian, M, An, H, Wadhwa, N.R, Duda, D.M, Yoshioka, C, Pathak, Y, McKenna, R, Laipis, P.J, Silverman, D.N.
Deposit date:2002-06-11
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kinetic analysis of multiple proton shuttles in the active site of human carbonic anhydrase.
J.Biol.Chem., 277, 2002
8UH4
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BU of 8uh4 by Molmil
Cryo-EM structure of Maize Streak Virus (MSV) - single head Geminivirus
Descriptor: Capsid protein, genomic DNA
Authors:Bennett, A.B, McKenna, R, Mietzsch, M, Hull, J.A.
Deposit date:2023-10-06
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:The Two States of MSV Gemini Capsid Assembly
To Be Published
3RA9
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BU of 3ra9 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
Descriptor: Capsid protein, DNA (5'-D(P*CP*A)-3')
Authors:Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2011-03-27
Release date:2011-09-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
3RA8
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BU of 3ra8 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
Descriptor: ADENOSINE MONOPHOSPHATE, Capsid protein
Authors:Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
Deposit date:2011-03-27
Release date:2011-09-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
7SV8
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BU of 7sv8 by Molmil
Carbonic Anhydrase IX-mimic 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, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV1
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BU of 7sv1 by Molmil
Carbonic Anhydrase IX-mimic 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, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SUY
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BU of 7suy by Molmil
Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022

222624

数据于2024-07-17公开中

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