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2X7U
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BU of 2x7u by Molmil
Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors.
Descriptor: (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L.
Deposit date:2010-03-03
Release date:2010-03-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors.
Biochemistry, 49, 2010
6VJ3
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BU of 6vj3 by Molmil
Carbonic Anhydrase II in complex with pyrimidine-based inhibitor
Descriptor: 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Lomelino, C.L, McKenna, R.
Deposit date:2020-01-14
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells.
Eur.J.Med.Chem., 190, 2020
4M2U
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BU of 4m2u by Molmil
Carbonic Anhydrase II in complex with Dorzolamide
Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
Authors:Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R.
Deposit date:2013-08-05
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
6PDV
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BU of 6pdv by Molmil
Cu-Carbonic Anhydrase II, A Nitrite Reductase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Carbonic anhydrase 2, ...
Authors:Andring, J.T, McKenna, R.
Deposit date:2019-06-19
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
6PGX
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BU of 6pgx by Molmil
Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity
Descriptor: 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-06-25
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity.
Eur.J.Med.Chem., 181, 2019
8ZWV
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BU of 8zwv by Molmil
The Crystal Structure of carbonic anhydrase II from Biortus.
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 2, ZINC ION, ...
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2024-06-13
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of carbonic anhydrase II from Biortus.
To Be Published
8IGF
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BU of 8igf by Molmil
Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution
Descriptor: (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I.
Deposit date:2023-02-20
Release date:2024-02-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II.
Int.J.Biol.Macromol., 267, 2024
9CA2
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BU of 9ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
5LVS
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BU of 5lvs by Molmil
Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries
Descriptor: Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y.
Deposit date:2016-09-14
Release date:2017-03-08
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
4XE1
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BU of 4xe1 by Molmil
Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN
Descriptor: 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor.
Org.Biomol.Chem., 13, 2015
4XFW
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BU of 4xfw by Molmil
Crystal structure of the monoclinic form of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori
Descriptor: ACETIC ACID, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Compostella, M.E, Vallese, F, Berto, P, Zanotti, G.
Deposit date:2014-12-29
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.517 Å)
Cite:Structure of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori.
Acta Crystallogr.,Sect.F, 71, 2015
4Y0J
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BU of 4y0j by Molmil
H/D exchanged human carbonic anhydrase II pH 6 room temperature neutron crystal structure.
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z.
Deposit date:2015-02-06
Release date:2015-04-22
Last modified:2024-01-10
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer.
Proc.Natl.Acad.Sci.USA, 112, 2015
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
5MSB
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BU of 5msb by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
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 (1.3 Å)
Cite:Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
8CDZ
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BU of 8cdz by Molmil
human carbonic anhydrase I complexed with 4-(3-butylureido)benzenesulfonamide
Descriptor: 1-butyl-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-02-01
Release date:2024-02-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Ureidobenzenesulfonamides as Selective Carbonic Anhydrase I, IX, and XII Inhibitors.
Molecules, 28, 2023
8CA2
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BU of 8ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
8C0Q
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BU of 8c0q by Molmil
Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative.
Descriptor: (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2022-12-19
Release date:2023-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
8C0R
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BU of 8c0r by Molmil
Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative.
Descriptor: Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2022-12-19
Release date:2023-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
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
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
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
1HCA
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BU of 1hca by Molmil
UNEXPECTED PH-DEPENDENT CONFORMATION OF HIS-64, THE PROTON SHUTTLE OF CARBONIC ANHYDRASE II.
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1992-04-02
Release date:1992-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Unexpected Ph-Dependent Conformation of His-64, the Proton Shuttle of Carbonic Anhydrase II.
J.Am.Chem.Soc., 113, 1991
1HED
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BU of 1hed by Molmil
STRUCTURAL CONSEQUENCES OF HYDROPHILIC AMINO-ACID SUBSTITUTIONS IN THE HYDROPHOBIC POCKET OF HUMAN CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1992-07-16
Release date:1992-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural consequences of hydrophilic amino acid substitutions in the hydrophobic pocket of human carbonic anhydrase II.
Biochemistry, 32, 1993
1H9Q
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BU of 1h9q by Molmil
H119Q CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Lesburg, C.A, Christianson, D.W.
Deposit date:1997-05-29
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
1H9N
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BU of 1h9n by Molmil
H119N CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Lesburg, C.A, Christianson, D.W.
Deposit date:1997-05-29
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997

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数据于2024-09-18公开中

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