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6C7X
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BU of 6c7x by Molmil
Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine
Descriptor: 2-chloro-5'-O-sulfamoyladenosine, Carbonic anhydrase 2, SODIUM ION, ...
Authors:Peat, T.S, Mujumdar, P, Poulsen, S.A.
Deposit date:2018-01-23
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis, structure and bioactivity of primary sulfamate-containing natural products.
Bioorg. Med. Chem. Lett., 28, 2018
8B29
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BU of 8b29 by Molmil
Human carbonic anhydrase II containing 6-fluorotryptophanes.
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
Deposit date:2022-09-13
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Direct Expression of Fluorinated Proteins in Human Cells for 19 F In-Cell NMR Spectroscopy.
J.Am.Chem.Soc., 145, 2023
2FKO
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BU of 2fko by Molmil
Structure of PH1591 from Pyrococcus horikoshii OT3
Descriptor: 1,2-ETHANEDIOL, 173aa long hypothetical ferripyochelin binding protein, ZINC ION
Authors:Jeyakanthan, J, Tahirov, T.H, Yokoyama, S, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-01-05
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus horikoshii.
Acta Crystallogr.,Sect.D, 64, 2008
1IF8
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BU of 1if8 by Molmil
Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
Descriptor: (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I.
Deposit date:2001-04-12
Release date:2001-05-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
1IF7
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BU of 1if7 by Molmil
Carbonic Anhydrase II Complexed With (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
Descriptor: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Grzybowski, B.A, Ishchenko, A.V, Kim, C.-Y, Topalov, G, Chapman, R, Christianson, D.W, Whitesides, G.M, Shakhnovich, E.I.
Deposit date:2001-04-12
Release date:2001-05-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Combinatorial computational method gives new picomolar ligands for a known enzyme.
Proc.Natl.Acad.Sci.USA, 99, 2002
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
5EZT
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BU of 5ezt by Molmil
Peracetylated Bovine Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Whitesides, G.M, Kang, K, Choi, J.-M, Fox, J.M.
Deposit date:2015-11-26
Release date:2016-07-20
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Acetylation of Surface Lysine Groups of a Protein Alters the Organization and Composition of Its Crystal Contacts.
J.Phys.Chem.B, 120, 2016
6H6S
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BU of 6h6s by Molmil
Sad phasing on nickel-substituted human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, NICKEL (II) ION
Authors:Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S.
Deposit date:2018-07-30
Release date:2019-01-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?
J. Biol. Inorg. Chem., 24, 2019
3NI5
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BU of 3ni5 by Molmil
Carbonic anhydrase inhibitor: C1 family
Descriptor: 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T.
Deposit date:2010-06-15
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action
Bioorg.Med.Chem.Lett., 21, 2011
3P3J
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BU of 3p3j by Molmil
Human carbonic anhydrase II in complex with p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Salmon, A.J.
Deposit date:2010-10-05
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors.
Chem.Commun.(Camb.), 48, 2012
3P3H
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BU of 3p3h by Molmil
Human carbonic anhydrase II in complex with p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Salmon, A.J.
Deposit date:2010-10-04
Release date:2011-09-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors.
Chem.Commun.(Camb.), 48, 2012
4Q49
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BU of 4q49 by Molmil
Room temperature neutron crystal structure of apo human carbonic anhydrase at pH 7.5
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z, McKenna, R.
Deposit date:2014-04-14
Release date:2015-02-25
Last modified:2023-09-20
Method:NEUTRON DIFFRACTION (1.8 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
1V67
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BU of 1v67 by Molmil
Structure of ferripyochelin binding protein from pyrococcus horikoshii OT3
Descriptor: BICARBONATE ION, CALCIUM ION, ZINC ION, ...
Authors:Jeyakanthan, J, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-27
Release date:2003-12-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus horikoshii.
Acta Crystallogr.,Sect.D, 64, 2008
3P44
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BU of 3p44 by Molmil
Human carbonic anhydrase II in complex with p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Salmon, A.J.
Deposit date:2010-10-06
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors.
Chem.Commun.(Camb.), 48, 2012
3P55
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BU of 3p55 by Molmil
Human carbonic anhydrase II in complex with p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Salmon, A.J.
Deposit date:2010-10-07
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors.
Chem.Commun.(Camb.), 48, 2012
1V3W
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BU of 1v3w by Molmil
Structure of Ferripyochelin binding protein from Pyrococcus horikoshii OT3
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Jeyakanthan, J, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-07
Release date:2003-11-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus horikoshii.
Acta Crystallogr.,Sect.D, 64, 2008
6TL6
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BU of 6tl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, GLYCEROL, ZINC ION, ...
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
1YLK
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BU of 1ylk by Molmil
Crystal Structure of Rv1284 from Mycobacterium tuberculosis in Complex with Thiocyanate
Descriptor: Hypothetical protein Rv1284/MT1322, THIOCYANATE ION, ZINC ION
Authors:Covarrubias, A.S, Larsson, A.M, Hogbom, M, Lindberg, J, Bergfors, T, Bjorkelid, C, Mowbray, S.L, Unge, T, Jones, T.A, Structural Proteomics in Europe (SPINE)
Deposit date:2005-01-19
Release date:2005-03-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of carbonic anhydrases from Mycobacterium tuberculosis.
J.Biol.Chem., 280, 2005
6KFS
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BU of 6kfs by Molmil
Structure of CCM related protein
Descriptor: LCIB_C_CA domain-containing protein, ZINC ION
Authors:Jin, S, Gao, Y.G.
Deposit date:2019-07-08
Release date:2020-07-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural and biochemical characterization of novel carbonic anhydrases from Phaeodactylum tricornutum.
Acta Crystallogr D Struct Biol, 76, 2020
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
2GD8
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BU of 2gd8 by Molmil
Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate
Descriptor: (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:De Simone, G, Di Fiore, A.
Deposit date:2006-03-15
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
J.Med.Chem., 49, 2006
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
3VQJ
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BU of 3vqj by Molmil
Crystal Structutre of Thiobacillus thioparus THI115 Carbonyl Sulfide Hydrolase
Descriptor: Carbonyl sulfide hydrolase, SODIUM ION, ZINC ION
Authors:Katayama, Y, Noguchi, K, Ogawa, T, Ohtaki, A, Odaka, M, Yohda, M.
Deposit date:2012-03-24
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Carbonyl Sulfide Hydrolase from Thiobacillus thioparus Strain THI115 Is One of the beta-Carbonic Anhydrase Family Enzymes
J.Am.Chem.Soc., 135, 2013
3VRK
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BU of 3vrk by Molmil
Crystal Structutre of Thiobacillus thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate complex
Descriptor: Carbonyl sulfide hydrolase, SODIUM ION, THIOCYANATE ION, ...
Authors:Katayama, Y, Noguchi, K, Ogawa, T, Ohtaki, A, Odaka, M, Yohda, M.
Deposit date:2012-04-11
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Carbonyl Sulfide Hydrolase from Thiobacillus thioparus Strain THI115 Is One of the beta-Carbonic Anhydrase Family Enzymes
J.Am.Chem.Soc., 135, 2013
5O07
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BU of 5o07 by Molmil
The crystal structure of the human carbonic anhydrase II in complex with a nitroimidazole sulfamate inhibitor
Descriptor: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2017-05-16
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations.
J Enzyme Inhib Med Chem, 32, 2017

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