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5ZXW
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BU of 5zxw by Molmil
Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate
Descriptor: Carbonic anhydrase 2, SULFATE ION, ZINC ION
Authors:Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T.
Deposit date:2018-05-22
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.316 Å)
Cite:Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization
Cryst.Growth Des., 19, 2019
5YUK
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BU of 5yuk by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5YUJ
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BU of 5yuj by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5YUI
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BU of 5yui by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5Y2S
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BU of 5y2s by Molmil
7.0 atm CO2-pressurized human carbonic anhydrase II
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Park, S.Y.
Deposit date:2017-07-27
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
5Y2R
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BU of 5y2r by Molmil
2.5 atm CO2-pressurized human carbonic anhydrase II
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Park, S.Y.
Deposit date:2017-07-27
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
5WLV
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BU of 5wlv by Molmil
Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
5WLU
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BU of 5wlu by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic Anhydrase IX-mimic, ZINC ION
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published
5WLT
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BU of 5wlt by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
5WLR
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BU of 5wlr by Molmil
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
Descriptor: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic Anhydrase IX-mimic, GLYCEROL, ...
Authors:Lomelino, C.L, Andring, J.T, McKenna, R.
Deposit date:2017-07-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs
To Be Published
5WGP
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BU of 5wgp by Molmil
Human Carbonic Anhydrase IX-mimic complexed with AceK
Descriptor: Acesulfame, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R.
Deposit date:2017-07-14
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:"Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
5WG7
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BU of 5wg7 by Molmil
Human Carbonic Anhydrase II complexed with AceK
Descriptor: Acesulfame, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R.
Deposit date:2017-07-13
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:"Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
5WEX
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BU of 5wex by Molmil
Discovery of new selenoureido analogs of 4-(4-fluorophenylureido) benzenesulfonamides as carbonic anhydrase inhibitors
Descriptor: 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Tanini, D, Peat, T.S, Di Cesare Mannelli, L, Bartolucci, G, Capperucci, A, Ghelardini, C, Supuran, C.T, Carta, F.
Deposit date:2017-07-10
Release date:2017-10-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017
5W8B
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BU of 5w8b by Molmil
Carbonic anhydrase II in complex with activating histamine pyridinium derivative
Descriptor: 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Bhatt, A, Ilies, M, McKenna, R.
Deposit date:2017-06-21
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function.
Mol. Neurobiol., 55, 2018
5VGY
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BU of 5vgy by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ...
Authors:Peat, T.S.
Deposit date:2017-04-11
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5USL
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BU of 5usl by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv304
Descriptor: Fab vv304 Heavy chain, Fab vv304 Light chain, IMV membrane protein
Authors:Zajonc, D.M.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
5USH
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BU of 5ush by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv66
Descriptor: Fab vv66 heavy chain, Fab vv66 light chain, IMV membrane protein
Authors:Zajonc, D.M.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
5UMC
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BU of 5umc by Molmil
Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography
Descriptor: Carbonic anhydrase 2, GLYCEROL, UNKNOWN LIGAND, ...
Authors:Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F.
Deposit date:2017-01-26
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017
5ULN
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BU of 5uln by Molmil
Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography
Descriptor: 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F.
Deposit date:2017-01-25
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017
5U0G
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BU of 5u0g by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ...
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5U0F
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BU of 5u0f by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5U0E
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BU of 5u0e by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ...
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5U0D
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BU of 5u0d by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-23
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5TYA
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BU of 5tya by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-phenyl-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-18
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5TY9
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BU of 5ty9 by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-18
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017

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