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7K6X
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BU of 7k6x by Molmil
Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide
Descriptor: 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Andring, J.T, Singh, S, McKenna, R.
Deposit date:2020-09-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors.
Eur.J.Med.Chem., 212, 2021
3GZ0
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BU of 3gz0 by Molmil
Apo-human carbonic anhydrase II revisited: Implications of the loss of a metal in protein structure, stability and solvent network
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S, McKenna, R.
Deposit date:2009-04-06
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Apo-Human Carbonic Anhydrase II Revisited: Implications of the Loss of a Metal in Protein Structure, Stability, and Solvent Network .
Biochemistry, 48, 2009
7MU3
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BU of 7mu3 by Molmil
human carbonic anhydrase 9 mimic with compound
Descriptor: Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ...
Authors:Peat, T.S.
Deposit date:2021-05-14
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors.
Bioorg.Med.Chem.Lett., 49, 2021
7JOC
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BU of 7joc by Molmil
Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantanecarboxamide
Descriptor: (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Andring, J.T, McKenna, R.
Deposit date:2020-08-06
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.385 Å)
Cite:Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
3K34
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BU of 3k34 by Molmil
Human carbonic anhydrase II with a sulfonamide inhibitor
Descriptor: (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Behnke, C.A, Le Trong, I, Merritt, E.A, Teller, D.C, Stenkamp, R.E.
Deposit date:2009-10-01
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Atomic resolution studies of carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 66, 2010
3HKN
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BU of 3hkn by Molmil
Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide
Descriptor: 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose-(1-4)-(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKQ
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BU of 3hkq by Molmil
Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide
Descriptor: (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKU
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BU of 3hku by Molmil
Human carbonic anhydrase II in complex with topiramate
Descriptor: Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKT
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BU of 3hkt by Molmil
Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide
Descriptor: Carbonic anhydrase 2, ZINC ION, alpha-D-galactopyranose-(1-4)-(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HLJ
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BU of 3hlj by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide
Descriptor: 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide, Carbonic anhydrase 2, SODIUM ION, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2009-05-27
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides
J Enzyme Inhib Med Chem, 25, 2010
3K2F
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BU of 3k2f by Molmil
Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Descriptor: (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Cecchi, A.
Deposit date:2009-09-30
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Bioorg.Med.Chem.Lett., 19, 2009
3JXF
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BU of 3jxf by Molmil
CA-like domain of human PTPRZ
Descriptor: Receptor-type tyrosine-protein phosphatase zeta
Authors:Bouyain, S.
Deposit date:2009-09-19
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
3JXH
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BU of 3jxh by Molmil
CA-like domain of human PTPRG
Descriptor: Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
Authors:Bouyain, S.
Deposit date:2009-09-19
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
5GMN
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BU of 5gmn by Molmil
Crystal structure of human carbonic anhydrase II in complex with polmacoxib
Descriptor: 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2016-07-14
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into the inhibition of carbonic anhydrase by the COX-2-selective inhibitor polmacoxib (CG100649).
Biochem. Biophys. Res. Commun., 478, 2016
5GMM
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BU of 5gmm by Molmil
Crystal structure of human Carbonic anhydrase I in complex with polmacoxib
Descriptor: 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide, Carbonic anhydrase 1, ZINC ION
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2016-07-14
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural insight into the inhibition of carbonic anhydrase by the COX-2-selective inhibitor polmacoxib (CG100649).
Biochem. Biophys. Res. Commun., 478, 2016
5HPJ
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BU of 5hpj by Molmil
Photobacterium profundum alpha-carbonic anhydrase
Descriptor: CHLORIDE ION, Carbonic anhydrase, ZINC ION
Authors:Somalinga, V, Buhrman, G.
Deposit date:2016-01-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A High-Resolution Crystal Structure of a Psychrohalophilic alpha-Carbonic Anhydrase from Photobacterium profundum Reveals a Unique Dimer Interface.
PLoS ONE, 11, 2016
5FLO
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BU of 5flo by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNG
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BU of 5fng by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5IPZ
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BU of 5ipz by Molmil
Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide
Descriptor: 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide, Carbonic anhydrase 4, ZINC ION
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-03-10
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 2-(4-ethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, CHLORIDE ION, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNK
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BU of 5fnk by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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
Descriptor: (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FNL
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BU of 5fnl by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-11-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance, and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
5FLR
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BU of 5flr by Molmil
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
Descriptor: 1.7.6 4-methylpyrimidine-2-sulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ...
Authors:Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016

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