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1G1D
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BU of 1g1d by Molmil
CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
Authors:Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
Deposit date:2000-10-11
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
1G4O
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BU of 1g4o by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-BENZYL-4-SULFAMOYL-BENZAMIDE, ...
Authors:Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
Deposit date:2000-10-27
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
5TFX
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BU of 5tfx by Molmil
New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase
Descriptor: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide, ...
Authors:Peat, T.S, Supuran, C.
Deposit date:2016-09-26
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors.
Org. Biomol. Chem., 14, 2016
5MSA
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BU of 5msa by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2017-01-02
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
To be published
1G45
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BU of 1g45 by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
Authors:Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
Deposit date:2000-10-26
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
1G4J
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BU of 1g4j by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
Authors:Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
Deposit date:2000-10-27
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
1G0E
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BU of 1g0e by Molmil
SITE-SPECIFIC MUTANT (HIS64 REPLACED WITH ALA) OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH 4-METHYLIMIDAZOLE
Descriptor: 4-METHYLIMIDAZOLE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Duda, D, McKenna, R.
Deposit date:2000-10-06
Release date:2000-10-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and kinetic analysis of the chemical rescue of the proton transfer function of carbonic anhydrase II.
Biochemistry, 40, 2001
1G46
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BU of 1g46 by Molmil
CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
Authors:Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
Deposit date:2000-10-26
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
5USL
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BU of 5usl by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv304
Descriptor: Fab vv304 Heavy chain, Fab vv304 Light chain, IMV membrane protein
Authors:Zajonc, D.M.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
1G53
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BU of 1g53 by Molmil
CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ...
Authors:Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
Deposit date:2000-10-30
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
5N0E
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BU of 5n0e by Molmil
Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide.
Descriptor: 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G.
Deposit date:2017-02-02
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
5N1R
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BU of 5n1r by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4'-Pyrazol-1-ylmethyl-biphenyl-4-sulfonamide
Descriptor: 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F.
Deposit date:2017-02-06
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms
Inorg.Chim.Acta., 470, 2018
1G6V
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BU of 1g6v by Molmil
Complex of the camelid heavy-chain antibody fragment CAB-CA05 with bovine carbonic anhydrase
Descriptor: ANTIBODY HEAVY CHAIN, CARBONIC ANHYDRASE, ZINC ION
Authors:Desmyter, A, Decanniere, K, Muyldermans, S, Wyns, L.
Deposit date:2000-11-08
Release date:2000-11-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Antigen specificity and high affinity binding provided by one single loop of a camel single-domain antibody.
J.Biol.Chem., 276, 2001
5LJT
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BU of 5ljt by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor
Descriptor: 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Supuran, C.
Deposit date:2016-07-19
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1 Å)
Cite:Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
J. Med. Chem., 59, 2016
5LLP
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BU of 5llp by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-07-28
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
1G3Z
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BU of 1g3z by Molmil
CARBONIC ANHYDRASE II (F131V)
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W.
Deposit date:2000-10-25
Release date:2000-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
5LLC
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BU of 5llc by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-(Methylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
5LLG
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BU of 5llg by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-Propylthiobenzenesulfonamide
Descriptor: 4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
5SZ5
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BU of 5sz5 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide
Descriptor: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
Deposit date:2016-08-12
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.274 Å)
Cite:Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5LLE
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BU of 5lle by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
5LLN
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BU of 5lln by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 13, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-07-28
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
To be published
5SZ1
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BU of 5sz1 by Molmil
Carbonic anhydrase II in complex with 4-(2-methylphenyl)-benzenesulfonamide
Descriptor: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
Deposit date:2016-08-12
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5M78
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BU of 5m78 by Molmil
Human Carbonic Anhydrase II in complex with fragment-like inhibitor.
Descriptor: 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2016-10-27
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.077 Å)
Cite:A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
5TY8
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BU of 5ty8 by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-18
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5ULN
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BU of 5uln by Molmil
Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography
Descriptor: 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F.
Deposit date:2017-01-25
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017

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數據於2024-07-17公開中

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