3N4B
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![BU of 3n4b by Molmil](/molmil-images/mine/3n4b) | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | 分子名称: | 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | 登録日 | 2010-05-21 | 公開日 | 2011-03-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3MYQ
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![BU of 3myq by Molmil](/molmil-images/mine/3myq) | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | 登録日 | 2010-05-11 | 公開日 | 2011-02-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII. Bioorg.Med.Chem., 18, 2010
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3N0N
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![BU of 3n0n by Molmil](/molmil-images/mine/3n0n) | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | 分子名称: | 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | 登録日 | 2010-05-14 | 公開日 | 2011-03-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3Q31
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![BU of 3q31 by Molmil](/molmil-images/mine/3q31) | Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, D-MALATE, ... | 著者 | Cuesta-Seijo, J.A, Borchert, M.S, Navarro-Poulsen, J.C, Schnorr, K.M, Leggio, L.L. | 登録日 | 2010-12-21 | 公開日 | 2011-03-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | 主引用文献 | Structure of fungal alpha Carbonic Anhydrase from Aspergillus oryzae To be Published
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3NI5
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![BU of 3ni5 by Molmil](/molmil-images/mine/3ni5) | Carbonic anhydrase inhibitor: C1 family | 分子名称: | 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate, Carbonic anhydrase 2, MERCURY (II) ION, ... | 著者 | Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T. | 登録日 | 2010-06-15 | 公開日 | 2011-06-22 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action Bioorg.Med.Chem.Lett., 21, 2011
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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 | 分子名称: | 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Hofmann, A, Osman, A, Davis, R.A. | 登録日 | 2010-06-02 | 公開日 | 2011-04-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases J.Med.Chem., 54, 2011
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3PO6
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![BU of 3po6 by Molmil](/molmil-images/mine/3po6) | Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide | 分子名称: | (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, ACETATE ION, ... | 著者 | Mader, P, Brynda, J, Gitto, R, Agnello, S, Ferro, S, De Luca, L, Vullo, D, Supuran, C.T, Chimirri, A. | 登録日 | 2010-11-22 | 公開日 | 2011-04-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides. J.Med.Chem., 54, 2011
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3OY0
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![BU of 3oy0 by Molmil](/molmil-images/mine/3oy0) | Human Carbonic Anhydrase II complexed with 1-(4-(4-(2-(ISOPROPYLSULFONYL)PHENYLAMINO)-1H-PYRROLO[2,3-B]PYRIDIN-6-YLAMINO)-3-METHOXYPHENYL)PIPERIDIN-4-OL | 分子名称: | (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Aggarwal, M, McKenna, R. | 登録日 | 2010-09-22 | 公開日 | 2011-08-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV. J.Med.Chem., 54, 2011
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3OKV
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![BU of 3okv by Molmil](/molmil-images/mine/3okv) | Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate | 分子名称: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | 登録日 | 2010-08-25 | 公開日 | 2011-07-06 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
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3OYQ
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![BU of 3oyq by Molmil](/molmil-images/mine/3oyq) | Structure of Human Carbonic Anhydrase II complexed with 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE | 分子名称: | (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Aggarwal, M, McKenna, R. | 登録日 | 2010-09-23 | 公開日 | 2011-08-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV. J.Med.Chem., 54, 2011
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3PJJ
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![BU of 3pjj by Molmil](/molmil-images/mine/3pjj) | Synthetic Dimer of Human Carbonic Anhydrase II | 分子名称: | 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione, Carbonic anhydrase 2, ZINC ION | 著者 | Snyder, P.W, Kwant, R.L, Moustakas, D.T, Mack, E.T, Butte, M.J, Whitesides, G.W. | 登録日 | 2010-11-10 | 公開日 | 2012-01-18 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | One Interface Stabilizes Linear Chains in All Polymorphs of Crystals of Human Carbonic Anhydrase II To be Published
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6XWZ
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![BU of 6xwz by Molmil](/molmil-images/mine/6xwz) | |
6XVH
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![BU of 6xvh by Molmil](/molmil-images/mine/6xvh) | carbonic anhydrase with bound arylsulfonamide- boronic acid | 分子名称: | (4-sulfamoylphenyl)boronic acid, Carbonic anhydrase 2, ZINC ION | 著者 | Perez, C, Zhang, B. | 登録日 | 2020-01-22 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An easy to assemble, fully modulable, selectiv and
colorimetric artificial bio-sensor for fingerprintting
the recognition of neurotransmitters To Be Published
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6XZS
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![BU of 6xzs by Molmil](/molmil-images/mine/6xzs) | Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | 分子名称: | 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T. | 登録日 | 2020-02-05 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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6XZY
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![BU of 6xzy by Molmil](/molmil-images/mine/6xzy) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | 分子名称: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | 登録日 | 2020-02-05 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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6YOL
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![BU of 6yol by Molmil](/molmil-images/mine/6yol) | Meta-Nidocarborane propyl-sulfonamide in complex with CA IX mimic | 分子名称: | Carbonic anhydrase 2, Meta-Nidocarborane propyl-sulfonamide, ZINC ION | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | 登録日 | 2020-04-14 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
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6YKH
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![BU of 6ykh by Molmil](/molmil-images/mine/6ykh) | Metala-Carborane di-ethyl-sulfonamide (cis isomer) in complex with CA IX mimic | 分子名称: | Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ZINC ION | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | 登録日 | 2020-04-06 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. Chempluschem, 86, 2021
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6YMB
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![BU of 6ymb by Molmil](/molmil-images/mine/6ymb) | MicroED structure of human carbonic anhydrase II | 分子名称: | ZINC ION, carbonic anhydrase 2 | 著者 | Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. | 登録日 | 2020-04-08 | 公開日 | 2020-08-12 | 最終更新日 | 2024-01-24 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | 主引用文献 | Visualizing drug binding interactions using microcrystal electron diffraction. Commun Biol, 3, 2020
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6YOI
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![BU of 6yoi by Molmil](/molmil-images/mine/6yoi) | Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic | 分子名称: | Carbonic anhydrase 2, Meta-Carborane di-propyl-sulfonamide, ZINC ION | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | 登録日 | 2020-04-14 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
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6XZX
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![BU of 6xzx by Molmil](/molmil-images/mine/6xzx) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | 分子名称: | 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | 登録日 | 2020-02-05 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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6Y00
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![BU of 6y00 by Molmil](/molmil-images/mine/6y00) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | 分子名称: | 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | 登録日 | 2020-02-05 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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6YO7
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![BU of 6yo7 by Molmil](/molmil-images/mine/6yo7) | Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic | 分子名称: | Carbonic anhydrase 2, Ortho-Carborane di-propyl-sulfonamide, ZINC ION | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | 登録日 | 2020-04-14 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
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6YQT
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![BU of 6yqt by Molmil](/molmil-images/mine/6yqt) | CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE | 分子名称: | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2020-04-18 | 公開日 | 2020-07-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site. Chem.Commun.(Camb.), 56, 2020
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6YO2
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![BU of 6yo2 by Molmil](/molmil-images/mine/6yo2) | Meta-Carborane propyl-sulfonamide in complex with CA IX mimic | 分子名称: | Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | 登録日 | 2020-04-14 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
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6YMA
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![BU of 6yma by Molmil](/molmil-images/mine/6yma) | MicroED structure of acetazolamide-bound human carbonic anhydrase II | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ZINC ION, ... | 著者 | Clabbers, M.T.B, Fisher, S.Z, Coincon, M, Zou, X, Xu, H. | 登録日 | 2020-04-08 | 公開日 | 2020-08-12 | 最終更新日 | 2024-01-24 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | 主引用文献 | Visualizing drug binding interactions using microcrystal electron diffraction. Commun Biol, 3, 2020
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