8R1I
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3C7P
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![BU of 3c7p by Molmil](/molmil-images/mine/3c7p) | Crystal structure of human carbonic anhydrase II in complex with STX237 | Descriptor: | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate, CHLORIDE ION, Carbonic anhydrase 2, ... | Authors: | Di Fiore, A, De Simone, G. | Deposit date: | 2008-02-08 | Release date: | 2009-01-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography Mol.Cancer Ther., 7, 2008
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8C0Q
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![BU of 8c0q by Molmil](/molmil-images/mine/8c0q) | 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
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8P6U
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![BU of 8p6u by Molmil](/molmil-images/mine/8p6u) | Human carbonic anhydrase II containing 5-fluorotryptophanes | Descriptor: | BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | Deposit date: | 2023-05-30 | 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
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7QZX
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![BU of 7qzx by Molmil](/molmil-images/mine/7qzx) | Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide | Descriptor: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-02-01 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs. J Enzyme Inhib Med Chem, 37, 2022
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7R1X
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![BU of 7r1x by Molmil](/molmil-images/mine/7r1x) | human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | Descriptor: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-02-03 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs. J Enzyme Inhib Med Chem, 37, 2022
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7ZWB
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![BU of 7zwb by Molmil](/molmil-images/mine/7zwb) | human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide | Descriptor: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-05-19 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome. J.Med.Chem., 66, 2023
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8FAU
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![BU of 8fau by Molmil](/molmil-images/mine/8fau) | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with 4-phenylthiazole-2(3H)-thione | Descriptor: | 4-phenyl-1,3-thiazole-2(3H)-thione, Carbonic anhydrase 2, SULFATE ION, ... | Authors: | Kohlbrand, A.J, Seo, H. | Deposit date: | 2022-11-28 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs. Chem.Commun.(Camb.), 59, 2023
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8FAL
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![BU of 8fal by Molmil](/molmil-images/mine/8fal) | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione | Descriptor: | 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Kohlbrand, A.J, Seo, H. | Deposit date: | 2022-11-28 | Release date: | 2023-03-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs. Chem.Commun.(Camb.), 59, 2023
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5L6K
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![BU of 5l6k by Molmil](/molmil-images/mine/5l6k) | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... | Authors: | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | Deposit date: | 2016-05-30 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
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4LP6
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![BU of 4lp6 by Molmil](/molmil-images/mine/4lp6) | Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer | Descriptor: | 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid, Carbonic anhydrase 2, ZINC ION | Authors: | Buratto, J, Granier, T, Langlois D'estaintot, B, Huc, I, Gallois, B. | Deposit date: | 2013-07-15 | Release date: | 2013-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 angstrom resolution. Angew.Chem.Int.Ed.Engl., 53, 2014
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6ZR9
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7O54
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![BU of 7o54 by Molmil](/molmil-images/mine/7o54) | Crystal structure of the carbonic anhydrase-like domain of CcmM in complex with the C-terminal 17 residues of CcaA from Synechococcus elongatus (strain PCC 7942) | Descriptor: | CHLORIDE ION, Carbonic anhydrase, Carboxysome assembly protein CcmM, ... | Authors: | Zang, K, Wang, H, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2021-04-07 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Scaffolding protein CcmM directs multiprotein phase separation in beta-carboxysome biogenesis. Nat.Struct.Mol.Biol., 28, 2021
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4MFG
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![BU of 4mfg by Molmil](/molmil-images/mine/4mfg) | 2.0 Angstrom Resolution Crystal Structure of Putative Carbonic Anhydrase from Clostridium difficile. | Descriptor: | MAGNESIUM ION, NICKEL (II) ION, Putative acyltransferase | Authors: | Minasov, G, Wawrzak, Z, Kudritska, M, Grimshaw, S, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-08-27 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.0 Angstrom Resolution Crystal Structure of Putative Carbonic Anhydrase from Clostridium difficile. TO BE PUBLISHED
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2HKH
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![BU of 2hkh by Molmil](/molmil-images/mine/2hkh) | Crystal structure of the Fab M75 | Descriptor: | GLYCEROL, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment | Authors: | Kral, V, Mader, P, Stouracova, R, Fabry, M, Sedlacek, J, Brynda, J. | Deposit date: | 2006-07-04 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations. Proteins, 71, 2008
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5THJ
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![BU of 5thj by Molmil](/molmil-images/mine/5thj) | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5TXY
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![BU of 5txy by Molmil](/molmil-images/mine/5txy) | Identification of a New Zinc Binding Chemotype of by Fragment Screening on human carbonic anhydrase | Descriptor: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, FORMIC ACID, ... | Authors: | Ren, B, Peat, T.S, Poulsen, S.-A. | Deposit date: | 2016-11-17 | Release date: | 2017-08-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.206 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5TH4
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5THI
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![BU of 5thi by Molmil](/molmil-images/mine/5thi) | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5TI0
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![BU of 5ti0 by Molmil](/molmil-images/mine/5ti0) | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G | Descriptor: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-30 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5THN
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![BU of 5thn by Molmil](/molmil-images/mine/5thn) | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 | Descriptor: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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8EV1
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![BU of 8ev1 by Molmil](/molmil-images/mine/8ev1) | Dual Modulators | Descriptor: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ... | Authors: | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | Deposit date: | 2022-10-19 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors. Eur.J.Med.Chem., 246, 2022
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8EV2
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![BU of 8ev2 by Molmil](/molmil-images/mine/8ev2) | Dual Modulators | Descriptor: | (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ... | Authors: | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | Deposit date: | 2022-10-19 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors. Eur.J.Med.Chem., 246, 2022
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5L3O
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![BU of 5l3o by Molmil](/molmil-images/mine/5l3o) | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... | Authors: | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | Deposit date: | 2016-05-24 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
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5EH7
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![BU of 5eh7 by Molmil](/molmil-images/mine/5eh7) | human carbonic anhydrase II in complex with ligand | Descriptor: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole, Carbonic anhydrase 2, FORMIC ACID, ... | Authors: | Ren, B. | Deposit date: | 2015-10-28 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.425 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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