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3KIG
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BU of 3kig by Molmil
Mutant carbonic anhydrase II in complex with an azide and an alkyne
分子名称: 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G.
登録日2009-11-02
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
3KNE
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BU of 3kne by Molmil
Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide, ...
著者Schulze-Wischeler, J, Heine, A, Klebe, G.
登録日2009-11-12
公開日2011-05-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
3M14
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BU of 3m14 by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U.
登録日2010-03-04
公開日2011-05-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
3M1K
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BU of 3m1k by Molmil
Carbonic Anhydrase in complex with fragment
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-05
公開日2010-11-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry.
Chemmedchem, 5, 2010
3M2Y
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BU of 3m2y by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-08
公開日2011-05-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Structural investigation and inhibitor stuies on Carbonic Anhydrase II
To be Published
3M04
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BU of 3m04 by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ZINC ION, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U.
登録日2010-03-02
公開日2011-05-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
3M1W
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BU of 3m1w by Molmil
Carbonic Anhyrdase II mutant W5CH64C with closed disulfide bond in complex with sulfate
分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-05
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Mutational Study on Carbonic Anhydrase II
To be Published
3M5T
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BU of 3m5t by Molmil
Fragment tethered to Carbonic Anhydrase II H64C mutant
分子名称: 3,3-diphenyl-N-(2-sulfanylethyl)propanamide, CARBONATE ION, Carbonic anhydrase 2, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-13
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment screening on Carbonic Anhydrase II via Tethering approach
To be Published
3M2X
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BU of 3m2x by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-08
公開日2011-05-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
3M5S
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BU of 3m5s by Molmil
Carbonic Anhydrase II mutant H64C in complex with carbonate
分子名称: CARBONATE ION, Carbonic anhydrase 2, ZINC ION
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-13
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mutational study on Carbonic Anhydrase II
TO BE PUBLISHED
3M1Q
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BU of 3m1q by Molmil
Carbonic Anhydrase II mutant W5C-H64C with opened disulfide bond
分子名称: Carbonic anhydrase 2, ZINC ION
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-05
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Mutational study on Carbonic Anhydrase II
To be Published
3M2Z
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BU of 3m2z by Molmil
Fragment tethered to Carbonic Anhydrase II H64C mutant
分子名称: CARBONATE ION, Carbonic anhydrase 2, N-(2-sulfanylethyl)benzamide, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-08
公開日2011-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment screening on Carbonic Anydrase II via Tethering approach
To be Published
2Q38
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BU of 2q38 by Molmil
Carbonic Anhydrase II in complex with Saccharin at 1.95 Angstrom
分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2007-05-30
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
2Q1B
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BU of 2q1b by Molmil
Carbonic Anhydrase II in Complex with Saccharin
分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ...
著者Klebe, G, Heine, A, Koehler, K.
登録日2007-05-24
公開日2007-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
4EMS
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BU of 4ems by Molmil
Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum
分子名称: Coniferyl alcohol 9-O-methyltransferase, GLYCEROL
著者Wolters, S, Heine, A, Petersen, M.
登録日2012-04-12
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7534 Å)
主引用文献Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
4EVI
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BU of 4evi by Molmil
Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol 9-Methyl Ether and S -Adenosyl-L-Homocysteine
分子名称: 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, ...
著者Wolters, S, Heine, A, Petersen, M.
登録日2012-04-26
公開日2013-05-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
4E70
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BU of 4e70 by Molmil
Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol
分子名称: 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, GLYCEROL
著者Wolters, S, Heine, A, Petersen, M.
登録日2012-03-16
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6093 Å)
主引用文献Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
4FRC
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BU of 4frc by Molmil
Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-26
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
4FPT
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BU of 4fpt by Molmil
Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-22
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
4FVN
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BU of 4fvn by Molmil
Carbonic Anhydrase II in complex with N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-29
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献HIgh resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
4FVO
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BU of 4fvo by Molmil
Carbonic Anhydrase II in complex with N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-29
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
4FU5
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BU of 4fu5 by Molmil
Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-28
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献HIgh resolution crystal structures of Carbonic Anhzdrase II in complex with nonvel sulfamide binders
To be Published

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