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3M04
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BU of 3m04 by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ZINC ION, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U.
Deposit date:2010-03-02
Release date:2011-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
3LXE
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BU of 3lxe by Molmil
Human Carbonic Anhydrase I in complex with topiramate
Descriptor: Carbonic anhydrase 1, 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:Alterio, V, De Simone, G, Monti, S.M, Truppo, E.
Deposit date:2010-02-25
Release date:2010-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex.
Org.Biomol.Chem., 2010
3L14
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BU of 3l14 by Molmil
Human Carbonic Anhydrase II complexed with Althiazide
Descriptor: 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Quirit, J.G, Robbins, A, Genis, C, Tu, C, Silverman, D.N, McKenna, R.
Deposit date:2009-12-10
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:The Promiscuous Nature of Althiazide in Adducts with CA II and CA IX Mimic
To be Published
3KWA
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BU of 3kwa by Molmil
Polyamines inhibit carbonic anhydrases
Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, SPERMINE, ...
Authors:Temperini, C.
Deposit date:2009-12-01
Release date:2010-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule
J.Med.Chem., 53, 2010
3KS3
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BU of 3ks3 by Molmil
High resolution structure of Human Carbonic Anhydrase II at 0.9 A
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2009-11-20
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:A short, strong hydrogen bond in the active site of human carbonic anhydrase II.
Biochemistry, 49, 2010
3KON
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BU of 3kon by Molmil
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 11.0
Descriptor: COBALT (II) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KOK
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BU of 3kok by Molmil
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 8.5
Descriptor: COBALT (II) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KOI
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BU of 3koi by Molmil
Crystal structure of cobalt (III) human carbonic anhydrase II at pH 6.0
Descriptor: COBALT (III) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KNE
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BU of 3kne by Molmil
Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole
Descriptor: (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, ...
Authors:Schulze-Wischeler, J, Heine, A, Klebe, G.
Deposit date:2009-11-12
Release date:2011-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
3KLD
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BU of 3kld by Molmil
PTPRG CNTN4 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin 4, Receptor-type tyrosine-protein phosphatase gamma
Authors:Bouyain, S.
Deposit date:2009-11-07
Release date:2009-12-22
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.999 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
3KKX
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BU of 3kkx by Molmil
Neutron structure of human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z, Langan, P.A.
Deposit date:2009-11-06
Release date:2010-01-12
Last modified:2023-09-06
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Neutron structure of human carbonic anhydrase II: implications for proton transfer.
Biochemistry, 49, 2010
3KIG
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BU of 3kig by Molmil
Mutant carbonic anhydrase II in complex with an azide and an alkyne
Descriptor: 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G.
Deposit date:2009-11-02
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry.
Chemistry, 17, 2011
3K7K
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BU of 3k7k by Molmil
Crystal structure of the complex between Carbonic Anhydrase II and anions
Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, ZINC ION, ...
Authors:Temperini, C.
Deposit date:2009-10-13
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carbonic anhydrase inhibitors. X-ray crystal studies of the carbonic anhydrase II-trithiocarbonate adduct-An inhibitor mimicking the sulfonamide and urea binding to the enzyme
Bioorg.Med.Chem.Lett., 20, 2010
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
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
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
3JXG
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BU of 3jxg by Molmil
CA-like domain of mouse PTPRG
Descriptor: Receptor-type tyrosine-protein phosphatase gamma
Authors:Bouyain, S.
Deposit date:2009-09-19
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 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
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
3IGP
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BU of 3igp by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Gitto, R, Agnello, S, Brynda, J, Mader, P, Supuran, C.T, Chimirri, A.
Deposit date:2009-07-28
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as Potent Carbonic Anhydrase Inhibitors: Synthesis, Biological Evaluation, and Enzyme-Ligand X-ray Studies.
J.Med.Chem., 2010
3IEO
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BU of 3ieo by Molmil
The coumarin-binding site in carbonic anhydrase: the antiepileptic lacosamide as an example
Descriptor: BENZOIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Innocenti, A, Scozzafava, A, Parkkila, S, Supuran, C.T.
Deposit date:2009-07-23
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors
J.Med.Chem., 53, 2010
3IBU
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BU of 3ibu by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-17
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
3IBN
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BU of 3ibn by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-16
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
3IBL
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BU of 3ibl by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-16
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
3IBI
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BU of 3ibi by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-16
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
3IAI
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BU of 3iai by Molmil
Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 9, ...
Authors:Alterio, V, Di Fiore, A, De Simone, G.
Deposit date:2009-07-14
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX.
Proc.Natl.Acad.Sci.USA, 106, 2009

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