PDB: 1556 件ウェブページステータス検索Chemie searchBIRD

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8BZZ	Crystal structure of carbonic anhydrase 2 4-(dimethylamino)-N-nitrobenzenesulfonamide 分子名称: 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-12-15 公開日 2023-12-27 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Diversely N -substituted benzenesulfonamides dissimilarly bind to human carbonic anhydrases: crystallographic investigations of N -nitrosulfonamides. J Enzyme Inhib Med Chem, 38, 2023
1T9N	Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II 分子名称: Carbonic anhydrase II, SULFATE ION, ZINC ION 著者 Fisher, Z, Hernandez Prada, J, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. 登録日 2004-05-18 公開日 2005-01-25 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
1XQ0	Structure of human carbonic anhydrase II with 4-[(3-bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole 分子名称: 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE, Carbonic anhydrase II, ZINC ION 著者 Lloyd, M.D, Thiyagarajan, N, Ho, Y.T, Woo, L.W.L, Sutcliffe, O.B, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L. 登録日 2004-10-11 公開日 2005-05-17 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,) Biochemistry, 44, 2005
1UGD	HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY SER (A65S) 分子名称: CARBONIC ANHYDRASE II, ZINC ION 著者 Scolnick, L.R, Christianson, D.W. 登録日 1996-07-24 公開日 1997-01-27 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis. Biochemistry, 35, 1996
6WQ4	Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... 著者 Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. 登録日 2020-04-28 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
6WQ5	Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. 登録日 2020-04-28 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.304 Å) 主引用文献 Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
6WQ9	Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... 著者 Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. 登録日 2020-04-28 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.305 Å) 主引用文献 Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
7CA2	ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Nair, S.K, Christianson, D.W. 登録日 1991-07-09 公開日 1992-07-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Engineering the hydrophobic pocket of carbonic anhydrase II. Biochemistry, 30, 1991
1UGA	HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY PHE (A65F) 分子名称: CARBONIC ANHYDRASE II, ZINC ION 著者 Scolnick, L.R, Christianson, D.W. 登録日 1996-07-24 公開日 1997-01-27 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis. Biochemistry, 35, 1996
1UGG	HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY SER (A65S)-ORTHORHOMBIC FORM 分子名称: CARBONIC ANHYDRASE II, ZINC ION 著者 Scolnick, L.R, Christianson, D.W. 登録日 1996-07-24 公開日 1997-01-27 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis. Biochemistry, 35, 1996
1UGE	HUMAN CARBONIC ANHYDRASE II [HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY LEU (A65L) 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Scolnick, L.R, Christianson, D.W. 登録日 1996-07-24 公開日 1997-04-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis. Biochemistry, 35, 1996
6WQ8	Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... 著者 Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. 登録日 2020-04-28 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.405 Å) 主引用文献 Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
3HKU	Human carbonic anhydrase II in complex with topiramate 分子名称: Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate 著者 Paul, B, Poulsen, S.-A, Hofmann, A. 登録日 2009-05-25 公開日 2009-10-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
3HKT	Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide 分子名称: Carbonic anhydrase 2, ZINC ION, alpha-D-galactopyranose-(1-4)-(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol 著者 Paul, B, Poulsen, S.-A, Hofmann, A. 登録日 2009-05-25 公開日 2009-10-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J.Med.Chem., 52, 2009
6WQ7	Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. 登録日 2020-04-28 公開日 2020-06-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.304 Å) 主引用文献 Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action. J.Med.Chem., 63, 2020
3IAI	Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 9, ... 著者 Alterio, V, Di Fiore, A, De Simone, G. 登録日 2009-07-14 公開日 2009-09-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX. Proc.Natl.Acad.Sci.USA, 106, 2009
1UGC	HUMAN CARBONIC ANHYDRASE II [HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY HIS (A65H) 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Scolnick, L.R, Christianson, D.W. 登録日 1996-07-24 公開日 1997-04-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 X-ray crystallographic studies of alanine-65 variants of carbonic anhydrase II reveal the structural basis of compromised proton transfer in catalysis. Biochemistry, 35, 1996
8EXC	Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide, ... 著者 Kohlbrand, A.J, O'Herin, C.B. 登録日 2022-10-25 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Development of Human Carbonic Anhydrase II Heterobifunctional Degraders. J.Med.Chem., 2023
8EMU	Human Carbonic Anhydrase II Heterobifunctional Degraders 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(2-methoxyethyl)-4-sulfamoylbenzamide, ... 著者 Kohlbrand, A.J, O'Herin, C.B. 登録日 2022-09-28 公開日 2023-02-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Development of Human Carbonic Anhydrase II Heterobifunctional Degraders. J.Med.Chem., 66, 2023
5JJ8	Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa - alternate crystal packing form 分子名称: Carbonic anhydrase, ZINC ION 著者 Pinard, M.A, Kurian, J.J, Aggarwal, M, Agbandje-McKenna, M, McKenna, R. 登録日 2016-04-22 公開日 2016-07-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.585 Å) 主引用文献 Cryoannealing-induced space-group transition of crystals of the carbonic anhydrase psCA3. Acta Crystallogr.,Sect.F, 72, 2016
8FQX	Carbonic Anhydrase II in complex with the alkyl ureas 3g 分子名称: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Combs, J.E, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.496 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
8FQZ	Carbonic Anhydrase II in complex with the alkyl urea 3j 分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Combs, J.C, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.467 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
8FR1	Carbonic Anhydrase IX in complex with the alkyl urea compound 3g 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ... 著者 Combs, J.C, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
8FQY	Carbonic Anhydrase II in complex with the alkyl urea 3h 分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Combs, J.C, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.466 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
8FR4	Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j 分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Combs, J.E, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.123 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023

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