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7OYR
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BU of 7oyr by Molmil
Carbonic anhydrase II in complex with Hit3-t4 (MH181)
分子名称: Carbonic anhydrase 2, Hit3-t4 (MH181), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYQ
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BU of 7oyq by Molmil
Carbonic anhydrase II in complex with Hit3-t2 (MH174)
分子名称: Carbonic anhydrase 2, Hit3-t2 (MH174), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYP
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BU of 7oyp by Molmil
Carbonic anhydrase II in complex with Hit3-t1 (MH172)
分子名称: (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide, 4-methylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYN
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BU of 7oyn by Molmil
Carbonic anhydrase II in complex with Hit3 (MH57)
分子名称: Carbonic anhydrase 2, Hit3 (MH57), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
4NGS
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BU of 4ngs by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGM
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BU of 4ngm by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGR
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BU of 4ngr by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGT
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BU of 4ngt by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGP
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BU of 4ngp by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGN
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BU of 4ngn by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NGQ
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BU of 4ngq by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
7ZPY
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BU of 7zpy by Molmil
Influenza polymerase A C-terminal domain of PA subunit with optimized small peptide inhibitor
分子名称: METHOXY-ETHOXYL, Peptide inhibitor (ASP-TYR-ASN-PRO-TYR-LEU-LEU-TYR-LEU-LYS), Polymerase acidic protein
著者Radilova, K, Brynda, J.
登録日2022-04-29
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Thermodynamic and structural characterization of an optimized peptide-based inhibitor of the influenza polymerase PA-PB1 subunit interaction.
Antiviral Res., 208, 2022
8BJK
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BU of 8bjk by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor CPD11352
分子名称: Histone deacetylase 6, POTASSIUM ION, ZINC ION, ...
著者Barinka, C, Motlova, L, Pavlicek, J.
登録日2022-11-04
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6).
Acs Chem.Biol., 18, 2023
3BI0
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BU of 3bi0 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of Glu-Glu
分子名称: (2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lubkowski, J, Barinka, C.
登録日2007-11-29
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural basis of interactions between human glutamate carboxypeptidase II and its substrate analogs
J.Mol.Biol., 376, 2008
3BI1
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BU of 3bi1 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of methotrexate-Glu
分子名称: (2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barinka, C, Lubkowski, J.
登録日2007-11-29
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of interactions between human glutamate carboxypeptidase II and its substrate analogs
J.Mol.Biol., 376, 2008
3BHX
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BU of 3bhx by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of Asp-Glu
分子名称: (2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lubkowski, J, Barinka, C.
登録日2007-11-29
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of interactions between human glutamate carboxypeptidase II and its substrate analogs
J.Mol.Biol., 376, 2008
2OR4
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BU of 2or4 by Molmil
A high resolution crystal structure of human glutamate carboxypeptidase II in complex with quisqualic acid
分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barinka, C, Lubkowski, J.
登録日2007-02-01
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II.
J.Med.Chem., 50, 2007
2PVW
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BU of 2pvw by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with 2-(phosphonomethyl)pentanedioic acid (2-PMPA)
分子名称: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barinka, C, Lubkowski, J.
登録日2007-05-10
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II.
J.Med.Chem., 50, 2007
6YA5
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BU of 6ya5 by Molmil
2009 H1N1 PA Endonuclease in complex with LU2
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Radilova, K, Brynda, J.
登録日2020-03-11
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unraveling the anti-influenza effect of flavonoids: Experimental validation of luteolin and its congeners as potent influenza endonuclease inhibitors.
Eur.J.Med.Chem., 208, 2020
5NXM
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BU of 5nxm by Molmil
Carbonic Anhydrase II Inhibitor RA1
分子名称: 8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
登録日2017-05-10
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NXI
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BU of 5nxi by Molmil
Carbonic Anhydrase II Inhibitor RA2
分子名称: 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 2, ...
著者Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
登録日2017-05-10
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NXO
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BU of 5nxo by Molmil
Carbonic Anhydrase II Inhibitor RA6
分子名称: 4-[(4-nitrophenyl)methyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
登録日2017-05-10
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NXV
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BU of 5nxv by Molmil
Carbonic Anhydrase II Inhibitor RA8
分子名称: 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
登録日2017-05-11
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NY3
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BU of 5ny3 by Molmil
Carbonic Anhydrase II Inhibitor RA11
分子名称: 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
登録日2017-05-11
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
5NYA
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BU of 5nya by Molmil
Carbonic Anhydrase II Inhibitor RA13
分子名称: Carbonic anhydrase 2, GLUTARIC ACID, ZINC ION, ...
著者Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
登録日2017-05-11
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018

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