PDB: 1334 件ウェブページステータス検索Chemie searchBIRD

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3OYS	Human Carbonic Anhydrase II complexed with 2-{[4-AMINO-3-(3-HYDROXYPROP-1-YN-1-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]METHYL}-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE 分子名称: 2-phenyl-N-(4-sulfamoylphenyl)acetamide, 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 (1.538 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
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
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
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
3OKU	Human Carbonic Anhydrase II in complex 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
3OIM	Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate 分子名称: (14beta,17alpha)-2-ethyl-17-hydroxyestra-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 2010-08-19 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
3OIL	Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate 分子名称: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, ZINC ION 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 2010-08-19 公開日 2011-07-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3OIK	Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate 分子名称: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, Carbonic anhydrase 2, GLYCEROL, ... 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 2010-08-19 公開日 2011-07-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3NJ9	Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor 分子名称: 3-(4-sulfamoylphenyl)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethyl]-6-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide, Carbonic anhydrase 2, MERCURY (II) ION, ... 著者 Temperini, C, Cecchi, A. 登録日 2010-06-17 公開日 2011-06-22 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor To be Published
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
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
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
3N3J	Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor 分子名称: 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. 登録日 2010-05-20 公開日 2011-03-09 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
3N2P	Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor 分子名称: 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. 登録日 2010-05-18 公開日 2011-03-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.648 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
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
3MZC	Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor 分子名称: 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. 登録日 2010-05-12 公開日 2011-03-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.498 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
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
3MWO	Human carbonic anhydrase II in a doubled monoclinic cell: a re-determination 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Robbins, A.H, McKenna, R. 登録日 2010-05-06 公開日 2010-06-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Emerging from pseudo-symmetry: the redetermination of human carbonic anhydrase II in monoclinic P2(1) with a doubled a axis. Acta Crystallogr.,Sect.D, 66, 2010
3MNU	Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron containing aromatic sulfamide with mammalian isoforms I-XV 分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... 著者 Di Fiore, A, De Simone, G. 登録日 2010-04-22 公開日 2010-06-16 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV. Bioorg.Med.Chem.Lett., 20, 2010
3MNK	Human Carbonic Anhydrase II Mutant K170H 分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION 著者 Domsic, J.F, McKenna, R. 登録日 2010-04-21 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II. Biochemistry, 49, 2010
3MNJ	Human Carbonic Anhydrase II Mutant K170E 分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION 著者 Domsic, J.F, McKenna, R. 登録日 2010-04-21 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II. Biochemistry, 49, 2010
3MNI	Human Carbonic Anhydrase II Mutant K170D 分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION 著者 Domsic, J.F, McKenna, R. 登録日 2010-04-21 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II. Biochemistry, 49, 2010
3MNH	Human Carbonic Anhydrase II Mutant K170A 分子名称: Carbonic anhydrase 2, SODIUM ION, ZINC ION 著者 Domsic, J.F, McKenna, R. 登録日 2010-04-21 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural and kinetic study of the extended active site for proton transfer in human carbonic anhydrase II. Biochemistry, 49, 2010
3MNA	The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... 著者 Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. 登録日 2010-04-21 公開日 2011-04-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
3MMF	Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor 分子名称: 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. 登録日 2010-04-19 公開日 2011-04-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011

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