6RW1
 
 | | Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)- | | 分子名称: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea, Carbonic anhydrase 2, ZINC ION | | 著者 | Di Fiore, A, De Simone, G. | | 登録日 | 2019-06-03 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
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2FOQ
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2FOU
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2FOV
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2FNM
 | | Activation of human carbonic anhdyrase II by exogenous proton donors | | 分子名称: | ZINC ION, carbonic anhydrase 2 | | 著者 | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | | 登録日 | 2006-01-11 | | 公開日 | 2006-11-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
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2FOY
 | | Human Carbonic Anhydrase I complexed with a two-prong inhibitor | | 分子名称: | Carbonic anhydrase 1, ZINC ION, {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER | | 著者 | Jude, K.M, Banerjee, A.L, Haldar, M.K, Manokaran, S, Roy, B, Mallik, S, Srivastava, D.K, Christianson, D.W. | | 登録日 | 2006-01-14 | | 公開日 | 2006-04-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
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2FNK
 | | Activation of Human Carbonic Anhydrase II by exogenous proton donors | | 分子名称: | Carbonic anhydrase 2, ZINC ION | | 著者 | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | | 登録日 | 2006-01-11 | | 公開日 | 2006-11-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
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2FMZ
 | | Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine, structure with D-Phenylalanine. | | 分子名称: | Carbonic anhydrase 2, D-PHENYLALANINE, MERCURY (II) ION, ... | | 著者 | Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T. | | 登録日 | 2006-01-10 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, VA, VII, and XIV with l- and d-Phenylalanine and Crystallographic Analysis of Their Adducts with Isozyme II: Stereospecific Recognition within the Active Site of an Enzyme and Its Consequences for the Drug Design.
J.Med.Chem., 49, 2006
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2FOS
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2FW4
 | | Carbonic anhydrase activators. The first X-ray crystallographic study of an activator of isoform I, structure with L-histidine. | | 分子名称: | Carbonic anhydrase 1, HISTIDINE, ZINC ION | | 著者 | Temperini, C, Scozzafava, A, Supuran, C.T. | | 登録日 | 2006-02-01 | | 公開日 | 2006-08-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Carbonic anhydrase activators: The first X-ray crystallographic study of an adduct of isoform I.
Bioorg.Med.Chem.Lett., 16, 2006
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8R1I
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2FNN
 | | Activation of human carbonic anhydrase II by exogenous proton donors | | 分子名称: | 4-METHYLIMIDAZOLE, Carbonic Anhydrase 2, ZINC ION | | 著者 | Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N. | | 登録日 | 2006-01-11 | | 公開日 | 2006-11-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
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2GD8
 | | Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate | | 分子名称: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE, CHLORIDE ION, Carbonic anhydrase 2, ... | | 著者 | De Simone, G, Di Fiore, A. | | 登録日 | 2006-03-15 | | 公開日 | 2007-02-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
J.Med.Chem., 49, 2006
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2GEH
 | | N-Hydroxyurea, a versatile zinc binding function in the design of metalloenzyme inhibitors | | 分子名称: | Carbonic anhydrase 2, MERCURY (II) ION, N-HYDROXYUREA, ... | | 著者 | Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T. | | 登録日 | 2006-03-20 | | 公開日 | 2006-06-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | N-Hydroxyurea-A versatile zinc binding function in the design of metalloenzyme inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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8SD1
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8SD6
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8SD7
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8SF1
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8SD9
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8SD8
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2W2J
 | | Crystal structure of the human carbonic anhydrase related protein VIII | | 分子名称: | CARBONIC ANHYDRASE-RELATED PROTEIN, CHLORIDE ION, GLYCEROL, ... | | 著者 | Kramm, A, Muniz, J.R.C, Picaud, S.S, von Delft, F, Pilka, E.S, Yue, W.W, King, O.N.F, Kochan, G, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U. | | 登録日 | 2008-10-31 | | 公開日 | 2009-02-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure of Human Carbonic Anhydrase-Related Protein Viii Reveals the Basis for Catalytic Silencing.
Proteins, 76, 2009
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2WEH
 | | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | | 分子名称: | 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | | 登録日 | 2009-03-31 | | 公開日 | 2009-11-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
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2WEG
 | | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | | 分子名称: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | | 登録日 | 2009-03-31 | | 公開日 | 2009-11-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
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2WEO
 | | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | | 分子名称: | 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | | 登録日 | 2009-04-01 | | 公開日 | 2009-11-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
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2WD2
 | | A chimeric microtubule disruptor with efficacy on a taxane resistant cell line | | 分子名称: | 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ... | | 著者 | Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L. | | 登録日 | 2009-03-19 | | 公開日 | 2010-03-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Chimeric Microtubule Disruptors.
Chem.Commun.(Camb.), 46, 2010
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