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PDB: 1334 件
5FLQ
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BU of 5flq by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: 2-(4-phenylmethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-10-28
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FL5
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BU of 5fl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
3RLD
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BU of 3rld by Molmil
Crystal structure of the Y7I mutant of human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION
著者Avvaru, B.S, Mikulski, R, McKenna, R.
登録日2011-04-19
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Kinetic and crystallographic studies of the role of tyrosine 7 in the active site of human carbonic anhydrase II.
Arch.Biochem.Biophys., 506, 2011
5EH7
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BU of 5eh7 by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-28
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.425 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5EH5
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BU of 5eh5 by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: 1.7.6 4-methylpyrimidine-2-sulfonamide, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-28
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.207 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5EHV
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BU of 5ehv by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-29
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.208 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
3RYV
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BU of 3ryv by Molmil
Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide
分子名称: Carbonic anhydrase 2, N-ethyl-4-sulfamoylbenzamide, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ1
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BU of 3rz1 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide, ...
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RYJ
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BU of 3ryj by Molmil
Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
分子名称: 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.M.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RYZ
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BU of 3ryz by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ7
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BU of 3rz7 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3S77
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BU of 3s77 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
分子名称: 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Heroux, A, Whitesides, G.W.
登録日2011-05-26
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
5FLS
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BU of 5fls by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-10-28
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNI
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BU of 5fni by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-11-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
3RZ0
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BU of 3rz0 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
分子名称: Carbonic anhydrase 2, N-butyl-4-sulfamoylbenzamide, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
5FL4
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BU of 5fl4 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
分子名称: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE 9, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5FNJ
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BU of 5fnj by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
分子名称: 2-(4-ethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, CHLORIDE ION, ...
著者Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
登録日2015-11-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
3T84
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BU of 3t84 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
分子名称: 4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose, Carbonic anhydrase 2, ZINC ION
著者Hofmann, A, Wang, C.K.
登録日2011-08-01
公開日2011-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
5E28
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BU of 5e28 by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-(4-aminophenyl)benzenesulfonamide inhibitor
分子名称: 4'-aminobiphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T.
登録日2015-09-30
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies.
J.Med.Chem., 59, 2016
3S74
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BU of 3s74 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
分子名称: 1-benzothiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Heroux, A, Whitesides, G.W.
登録日2011-05-26
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
5EKJ
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BU of 5ekj by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
分子名称: 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Roose, B.W, Dmochowski, I.J.
登録日2015-11-03
公開日2016-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.129 Å)
主引用文献Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EH8
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BU of 5eh8 by Molmil
human carbonic anhydrase II in complex with ligand
分子名称: (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B.
登録日2015-10-28
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.381 Å)
主引用文献Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5EKH
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BU of 5ekh by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
分子名称: 4-(butylaminomethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Roose, B.W, Dmochowksi, I.J.
登録日2015-11-03
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
3S75
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BU of 3s75 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
分子名称: Carbonic anhydrase 2, ZINC ION, furan-2-sulfonamide
著者Snyder, P.W, Heroux, A, Whitesides, G.W.
登録日2011-05-26
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SBI
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BU of 3sbi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(2-pyrimidinylsulfanyl)acetyl]benzenesulfonamide
分子名称: 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Grazulis, S, Manakova, E, Tamulaitiene, G.
登録日2011-06-05
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012

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件を2024-07-10に公開中

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