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5WLU
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BU of 5wlu by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
分子名称: 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic Anhydrase IX-mimic, ZINC ION
著者Lomelino, C.L, Andring, J.T, McKenna, R.
登録日2017-07-27
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published
5WLV
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BU of 5wlv by Molmil
Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide
分子名称: 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L, Andring, J.T, McKenna, R.
登録日2017-07-27
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
5WLT
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BU of 5wlt by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
分子名称: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Lomelino, C.L, Andring, J.T, McKenna, R.
登録日2017-07-27
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
3D92
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BU of 3d92 by Molmil
Human carbonic anhydrase II bound with substrate carbon dioxide
分子名称: CARBON DIOXIDE, GLYCEROL, ZINC ION, ...
著者Domsic, J.F, Avvaru, B.S, McKenna, R.
登録日2008-05-26
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Entrapment of carbon dioxide in the active site of carbonic anhydrase II
J.Biol.Chem., 283, 2008
8EP2
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BU of 8ep2 by Molmil
The capsid structure of Aleutian Mink Disease Virus
分子名称: Capsid protein VP1
著者Mietzsch, M, McKenna, R.
登録日2022-10-04
公開日2022-11-09
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献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
分子名称: Human Parvovirus 4
著者Mietzsch, M, McKenna, R.
登録日2022-10-05
公開日2022-11-09
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Capsid Structure of Aleutian Mink Disease Virus and Human Parvovirus 4: New Faces in the Parvovirus Family Portrait.
Viruses, 14, 2022
3D93
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BU of 3d93 by Molmil
Apo Human carbonic anhydrase II bound with substrate carbon dioxide
分子名称: CARBON DIOXIDE, GLYCEROL, carbonic anhydrase II
著者Domsic, J.F, Avvaru, B.S, McKenna, R.
登録日2008-05-26
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Entrapment of carbon dioxide in the active site of carbonic anhydrase II
J.Biol.Chem., 283, 2008
8FQ4
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BU of 8fq4 by Molmil
AAV1 VP3 Only Capsid
分子名称: Capsid protein
著者Mietzsch, M, McKenna, R.
登録日2023-01-05
公開日2023-02-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Production and characterization of an AAV1-VP3-only capsid: An analytical benchmark standard.
Mol Ther Methods Clin Dev, 29, 2023
3RA8
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BU of 3ra8 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
分子名称: ADENOSINE MONOPHOSPHATE, Capsid protein
著者Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
登録日2011-03-27
公開日2011-09-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
8TEX
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BU of 8tex by Molmil
Avian Adeno-associated virus - empty capsid
分子名称: Capsid protein
著者Hsi, J, Mietzsch, M, Chipman, P, Afione, S, Zeher, A, Huang, R, Chiorini, J, McKenna, R.
登録日2023-07-07
公開日2023-08-30
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Structural and antigenic characterization of the avian adeno-associated virus capsid.
J.Virol., 97, 2023
3RAA
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BU of 3raa by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
分子名称: ADENOSINE MONOPHOSPHATE, Capsid protein
著者Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
登録日2011-03-27
公開日2011-09-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
8TEY
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BU of 8tey by Molmil
Avian Adeno-associated virus - empty capsid
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein
著者Hsi, J, Mietzsch, M, Chipman, P, Afione, S, Zeher, A, Huang, R, Chiorini, J, McKenna, R.
登録日2023-07-07
公開日2023-08-30
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural and antigenic characterization of the avian adeno-associated virus capsid.
J.Virol., 97, 2023
3F9Q
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BU of 3f9q by Molmil
Re-refinement of uncomplexed plasmepsin II from Plasmodium falciparum.
分子名称: Plasmepsin-2
著者Robbins, A.H, Mckenna, R.
登録日2008-11-14
公開日2009-03-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic evidence for noncoplanar catalytic aspartic acids in plasmepsin II resides in the Protein Data Bank.
Acta Crystallogr.,Sect.D, 65, 2009
3RA4
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BU of 3ra4 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
分子名称: Capsid protein, DNA (5'-D(*CP*A)-3')
著者Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
登録日2011-03-27
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
3RA2
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BU of 3ra2 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
分子名称: Capsid protein
著者Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
登録日2011-03-26
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
3RA9
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BU of 3ra9 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
分子名称: Capsid protein, DNA (5'-D(P*CP*A)-3')
著者Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
登録日2011-03-27
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
1LZV
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BU of 1lzv by Molmil
Site-Specific Mutant (Tyr7 replaced with His) of Human Carbonic Anhydrase II
分子名称: Carbonic Anhydrase II, ZINC ION
著者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.
登録日2002-06-11
公開日2002-10-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Kinetic analysis of multiple proton shuttles in the active site of human carbonic anhydrase.
J.Biol.Chem., 277, 2002
3NG9
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BU of 3ng9 by Molmil
Structure to Function Correlations for Adeno-associated Virus Serotype 1
分子名称: 6-AMINOPYRIMIDIN-2(1H)-ONE, ADENINE, Capsid protein
著者Govindasamy, L, Miller, E.B, Gurda, B, McKenna, R, Zolotukhin, S, Muzyczka, N, Agbandje-McKenna, M.
登録日2010-06-11
公開日2011-12-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure to Function Correlations for Adeno-Associated Virus serotype 1
To be Published
3NTT
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BU of 3ntt by Molmil
Structural insights of Adeno-Associated virus 5. A gene therapy Vector for Cystic Fibrosis
分子名称: Capsid protein, GLYCEROL, SODIUM ION
著者Govindasamy, L, DiMattia, M, Chiorini, J.A, McKenna, R, Muzyczka, N, Agbandje-McKenna, M.
登録日2010-07-05
公開日2011-12-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Structural insights into adeno-associated virus serotype 5.
J.Virol., 87, 2013
4DZ7
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BU of 4dz7 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Aggarwal, M, McKenna, R.
登録日2012-02-29
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4DZ9
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BU of 4dz9 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
分子名称: 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2012-02-29
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4E5Q
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BU of 4e5q by Molmil
Human Carbonic Anhydrase II in complex with cyanate
分子名称: Carbonic anhydrase 2, ZINC ION, cyanic acid
著者West, D, McKenna, R.
登録日2012-03-14
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7024 Å)
主引用文献Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4ZWZ
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BU of 4zwz by Molmil
Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
著者Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R.
登録日2015-05-19
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates.
J.Med.Chem., 58, 2015
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
分子名称: 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, ...
著者Combs, J.E, McKenna, R.
登録日2021-11-18
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.388 Å)
主引用文献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
分子名称: 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, ...
著者Combs, J.E, McKenna, R.
登録日2021-11-18
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.559 Å)
主引用文献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

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件を2024-08-21に公開中

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