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PDB: 387 件

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
5SZ5
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BU of 5sz5 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide
分子名称: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.274 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ1
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BU of 5sz1 by Molmil
Carbonic anhydrase II in complex with 4-(2-methylphenyl)-benzenesulfonamide
分子名称: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5WLR
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BU of 5wlr 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 IX-mimic, 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 (1.49 Å)
主引用文献Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published
5SZ3
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BU of 5sz3 by Molmil
Carbonic anhydrase II in complex with 4-(3-quinolinyl)-benzenesulfonamide
分子名称: 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ6
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BU of 5sz6 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(3-formylphenyl)-benzenesulfonamide
分子名称: 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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
5T84
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BU of 5t84 by Molmil
HIV-1 protease, unbound subtype B L63P construct
分子名称: Protease
著者Liu, Z, Norell, J, Mahon, B, Poole, K, McKenna, R, Fanucci, G.
登録日2016-09-06
公開日2017-09-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Single mutation, L63P, capable of shutting down the flaps of HIV-1 protease
To Be Published
1EM0
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BU of 1em0 by Molmil
COMPLEX OF D(CCTAGG) WITH TETRA-[N-METHYL-PYRIDYL] PORPHYRIN
分子名称: DNA (5'-D(*(CBR)P*CP*TP*AP*GP*G)-3'), MAGNESIUM ION, TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL
著者Neidle, S, Sanderson, M, Bennett, M, Krah, A, Wien, F, Garman, E, McKenna, R.
登録日2000-03-14
公開日2000-08-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献A DNA-porphyrin minor-groove complex at atomic resolution: the structural consequences of porphyrin ruffling.
Proc.Natl.Acad.Sci.USA, 97, 2000
1XV8
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BU of 1xv8 by Molmil
Crystal Structure of Human Salivary Alpha-Amylase Dimer
分子名称: Alpha-amylase, CALCIUM ION, CHLORIDE ION
著者Fisher, S.Z, Govindasamy, L, Tu, C.K, Silverman, D.N, Rajaniemi, H, McKenna, R.
登録日2004-10-27
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Human Salivary Alpha-Amylase Dimer
To be Published
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
1YO1
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BU of 1yo1 by Molmil
Proton Transfer from His200 in Human Carbonic Anhydrase II
分子名称: Carbonic anhydrase II, SULFATE ION, ZINC ION
著者Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N.
登録日2005-01-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: CHLORIDE ION, Carbonic anhydrase II, ZINC ION
著者Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N.
登録日2005-01-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Carbonic anhydrase II, ZINC ION
著者Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N.
登録日2005-01-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Proton transfer in a Thr200His mutant of human carbonic anhydrase II
Proteins, 61, 2005
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
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
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
5BQ1
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BU of 5bq1 by Molmil
Capturing Carbon Dioxide in beta Carbonic Anhydrase
分子名称: CARBON DIOXIDE, Carbonic anhydrase, ZINC ION
著者Aggarwal, M, Chua, T.K, Pinard, M.A, Szebenyi, D.M, McKenna, R.
登録日2015-05-28
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Carbon Dioxide "Trapped" in a beta-Carbonic Anhydrase.
Biochemistry, 54, 2015
3UYN
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BU of 3uyn by Molmil
HCA 3
分子名称: Carbonic anhydrase 3, ZINC ION
著者Fisher, Z, McKenna, R.
登録日2011-12-06
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
3UYQ
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BU of 3uyq by Molmil
HCA 3
分子名称: Carbonic anhydrase 3, ZINC ION
著者Fisher, Z, McKenna, R.
登録日2011-12-06
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
4G0C
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BU of 4g0c by Molmil
Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding.
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z, McKenna, R, Aggarwal, M.
登録日2012-07-09
公開日2012-09-19
最終更新日2023-09-13
実験手法NEUTRON DIFFRACTION (2 Å)
主引用文献Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding.
J.Am.Chem.Soc., 134, 2012
4HEY
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BU of 4hey by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HEW
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BU of 4hew by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: 2-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6984 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HBA
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BU of 4hba by Molmil
Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Boone, C.D, Habibzadegan, A, McKenna, R.
登録日2012-09-27
公開日2013-07-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond.
Acta Crystallogr.,Sect.D, 69, 2013

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