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4WW6
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BU of 4ww6 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-11-10
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
4WUQ
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BU of 4wuq by Molmil
Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-piperidin-1-ylbenzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide, Carbonic anhydrase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-11-03
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
7YWT
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BU of 7ywt by Molmil
human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide
Descriptor: (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-14
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.106 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7YZH
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BU of 7yzh by Molmil
Schistosoma Mansoni Carbonic Anhydrase in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-02-20
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
7ZL6
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BU of 7zl6 by Molmil
Azosemide in complex with human Carbonic anhydrase II (hCA II)
Descriptor: Azosemide, Carbonic anhydrase 2, ZINC ION
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-04-14
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.383 Å)
Cite:Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor
J.Mol.Struct., 1268, 2022
7ZL5
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BU of 7zl5 by Molmil
Azosemide in complex with Carbonic Anhydrase I
Descriptor: Azosemide, Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-04-14
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor
J.Mol.Struct., 1268, 2022
7M24
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BU of 7m24 by Molmil
Human carbonic anhydrase II in complex with (R)-rosiglitazone
Descriptor: (R)-ROSIGLITAZONE, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M26
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BU of 7m26 by Molmil
Human carbonic anhydrase II in complex with pioglitazone
Descriptor: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M23
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BU of 7m23 by Molmil
Human carbonic anhydrase II in complex with troglitazone
Descriptor: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
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
7NC4
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BU of 7nc4 by Molmil
Crystal structure of human carbonic anhydrase VII (hCA VII) in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative.
Descriptor: 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2021-01-28
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII.
Bioorg.Med.Chem., 44, 2021
12CA
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BU of 12ca by Molmil
ALTERING THE MOUTH OF A HYDROPHOBIC POCKET. STRUCTURE AND KINETICS OF HUMAN CARBONIC ANHYDRASE II MUTANTS AT RESIDUE VAL-121
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1991-10-01
Release date:1992-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Altering the mouth of a hydrophobic pocket. Structure and kinetics of human carbonic anhydrase II mutants at residue Val-121.
J.Biol.Chem., 266, 1991
1AM6
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BU of 1am6 by Molmil
CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE
Descriptor: ACETOHYDROXAMIC ACID, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
Authors:Scolnick, L.R, Clements, A.M, Christianson, D.W.
Deposit date:1997-06-24
Release date:1998-06-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Binding Mode of Hydroxamate Inhibitors to Human Carbonic Anhydrase II
J.Am.Chem.Soc., 119, 1997
1A42
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BU of 1a42 by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE
Descriptor: (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Boriack-Sjodin, P.A, Christianson, D.W.
Deposit date:1998-02-10
Release date:1999-03-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
1AZM
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BU of 1azm by Molmil
DRUG-PROTEIN INTERACTIONS: STRUCTURE OF SULFONAMIDE DRUG COMPLEXED WITH HUMAN CARBONIC ANHYDRASE I
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE I, ZINC ION
Authors:Chakravarty, S, Kannan, K.K.
Deposit date:1993-11-28
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Drug-protein interactions. Refined structures of three sulfonamide drug complexes of human carbonic anhydrase I enzyme.
J.Mol.Biol., 243, 1994
1BCD
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BU of 1bcd by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND A NEW TOPICAL INHIBITOR, TRIFLUOROMETHANE SULPHONAMIDE
Descriptor: CARBONIC ANHYDRASE II, TRIFLUOROMETHANE SULFONAMIDE, ZINC ION
Authors:Hakansson, K, Liljas, A.
Deposit date:1993-08-31
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of a complex between carbonic anhydrase II and a new inhibitor, trifluoromethane sulphonamide.
FEBS Lett., 350, 1994
1AVN
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BU of 1avn by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR
Descriptor: AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ...
Authors:Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T.
Deposit date:1997-09-17
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine.
Biochemistry, 36, 1997
8PHL
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BU of 8phl by Molmil
Human carbonic anhydrase II containing 4-fluorophenylalanine
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
Authors:Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
Deposit date:2023-06-20
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
8SD7
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BU of 8sd7 by Molmil
Carbonic anhydrase II radiation damage RT 61-90
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SF1
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BU of 8sf1 by Molmil
Carbonic anhydrase II XFEL radiation damage RT
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8Q0C
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BU of 8q0c by Molmil
Human carbonic anhydrase II containing 3-fluorotyrosine
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
Authors:Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
Deposit date:2023-07-28
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
8SD9
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BU of 8sd9 by Molmil
Carbonic anhydrase II radiation damage RT 121-150
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD8
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BU of 8sd8 by Molmil
Carbonic anhydrase II radiation damage RT 91-120
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD6
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BU of 8sd6 by Molmil
Carbonic anhydrase II radiation damage RT 31-60
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD1
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BU of 8sd1 by Molmil
Carbonic anhydrase II radiation damage RT 1-30
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.C, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024

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数据于2024-03-27公开中

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