3P3J
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3P3H
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3P55
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4ZWZ
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![BU of 4zwz by Molmil](/molmil-images/mine/4zwz) | Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... | Authors: | Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. | Deposit date: | 2015-05-19 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
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4ZWY
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![BU of 4zwy by Molmil](/molmil-images/mine/4zwy) | Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor | Descriptor: | (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. | Deposit date: | 2015-05-19 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
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4ZX1
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![BU of 4zx1 by Molmil](/molmil-images/mine/4zx1) | Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor | Descriptor: | (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. | Deposit date: | 2015-05-20 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX using Structure-Activity Relationships of Glucosyl-Based Sulfamates J. Med. Chem., 58, 2015
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4ZX0
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![BU of 4zx0 by Molmil](/molmil-images/mine/4zx0) | Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | Mahon, B.P, Lomelino, C.L, Pinard, M.A, McKenna, R. | Deposit date: | 2015-05-19 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX using Structure-Activity Relationships of Glucosyl-Based Sulfamates J. Med. Chem., 58, 2015
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4ZWX
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![BU of 4zwx by Molmil](/molmil-images/mine/4zwx) | Engineered Carbonic Anhydrase IX mimic in complex with glucosyl sulfamate inhibitor | Descriptor: | (1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. | Deposit date: | 2015-05-19 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
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3KPY
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![BU of 3kpy by Molmil](/molmil-images/mine/3kpy) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole | Descriptor: | 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KR2
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3KQO
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![BU of 3kqo by Molmil](/molmil-images/mine/3kqo) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine | Descriptor: | 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KR1
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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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3KQV
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![BU of 3kqv by Molmil](/molmil-images/mine/3kqv) | Crystal Structure of hPNMT in Complex AdoHcy and Formanilide | Descriptor: | FORMANILIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KPW
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![BU of 3kpw by Molmil](/molmil-images/mine/3kpw) | Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline | Descriptor: | ISOQUINOLIN-1-AMINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQP
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![BU of 3kqp by Molmil](/molmil-images/mine/3kqp) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Aminoquinoline | Descriptor: | Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, quinolin-6-amine | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQT
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3KQM
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![BU of 3kqm by Molmil](/molmil-images/mine/3kqm) | Crystal Structure of hPNMT in Complex AdoHcy and 4-Bromo-1H-imidazole | Descriptor: | 4-bromo-1H-imidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQS
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![BU of 3kqs by Molmil](/molmil-images/mine/3kqs) | Crystal Structure of hPNMT in Complex AdoHcy and 2-Aminobenzimidazole | Descriptor: | 1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KPJ
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![BU of 3kpj by Molmil](/molmil-images/mine/3kpj) | Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate | Descriptor: | PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-16 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQW
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![BU of 3kqw by Molmil](/molmil-images/mine/3kqw) | Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole | Descriptor: | 5-chloro-1H-benzimidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KPV
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![BU of 3kpv by Molmil](/molmil-images/mine/3kpv) | Crystal Structure of hPNMT in Complex AdoHcy and Adenine | Descriptor: | ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQQ
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![BU of 3kqq by Molmil](/molmil-images/mine/3kqq) | Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid | Descriptor: | 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQY
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![BU of 3kqy by Molmil](/molmil-images/mine/3kqy) | |
3NB5
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![BU of 3nb5 by Molmil](/molmil-images/mine/3nb5) | Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide | Descriptor: | 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Hofmann, A, Osman, A, Davis, R.A. | Deposit date: | 2010-06-02 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases J.Med.Chem., 54, 2011
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