5JWT
| T4 Lysozyme L99A/M102Q with Benzene Bound | 分子名称: | BENZENE, Endolysin | 著者 | Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y. | 登録日 | 2016-05-12 | 公開日 | 2016-09-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics. J.Am.Chem.Soc., 138, 2016
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5TTO
| X-ray crystal structure of PPARgamma in complex with SR1643 | 分子名称: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma | 著者 | Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A. | 登録日 | 2016-11-04 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.246 Å) | 主引用文献 | Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics. J. Med. Chem., 60, 2017
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1SV9
| Crystal structure of the complex formed between groupII phospholipase A2 and anti-inflammatory agent 2-[(2,6-Dichlorophenyl)amino] benzeneacetic acid at 2.7A resolution | 分子名称: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Phospholipase A2 | 著者 | Senthil kumar, R, Singh, N, Ethayathulla, A.S, Prem kumar, R, Sharma, S, Singh, T.P. | 登録日 | 2004-03-29 | 公開日 | 2004-04-20 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Crystal structure of the complex formed between group II phospholipase A2 and anti-inflammatory agent 2-[(2,6-Dichlorophenyl)amino] benzeneacetic acid at 2.7A resolution To be Published
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4IU7
| Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b | 分子名称: | 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2013-01-20 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IV4
| Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 5b | 分子名称: | 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2013-01-22 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IVW
| Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 6b | 分子名称: | 4-[2-benzyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2013-01-23 | 公開日 | 2013-03-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IV2
| Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 5a | 分子名称: | 4-[1-(2-methylpropyl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2013-01-22 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IW8
| Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 9a | 分子名称: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2013-01-23 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.0375 Å) | 主引用文献 | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IUI
| Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a | 分子名称: | 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2013-01-21 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IVY
| Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY-derivative, 7a | 分子名称: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2013-01-23 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4YXI
| Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). | 分子名称: | 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Rechlin, C, Heine, A, Klebe, G. | 登録日 | 2015-03-23 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | 主引用文献 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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4YXU
| Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4). | 分子名称: | 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Rechlin, C, Heine, A, Klebe, G. | 登録日 | 2015-03-23 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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4YXO
| Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3). | 分子名称: | 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Rechlin, C, Heine, A, Klebe, G. | 登録日 | 2015-03-23 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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6RG5
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5LLN
| Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | 分子名称: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 13, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2016-07-28 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure of human carbonic anhydrase isozyme XIII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide To be published
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4IW6
| Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b | 分子名称: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | 著者 | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2013-01-23 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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5ULN
| Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography | 分子名称: | 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F. | 登録日 | 2017-01-25 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett, 8, 2017
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5X5O
| Crystal structure of ZAK in complex with compound D2829 | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide | 著者 | Dai, Y.B, Zhao, P, Yun, C.H. | 登録日 | 2017-02-17 | 公開日 | 2017-12-27 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | 主引用文献 | Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors. J. Med. Chem., 60, 2017
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2H9Y
| Crystal structure of mouse acetylcholinesterase complexed with m-(N,N,N-trimethylammonio)trifluoroacetophenone | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, HEXAETHYLENE GLYCOL, ... | 著者 | Bourne, Y, Radic, Z, Sulzenbacher, G, Kim, E, Taylor, P, Marchot, P. | 登録日 | 2006-06-12 | 公開日 | 2006-07-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding J.Biol.Chem., 281, 2006
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2UVM
| Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate | 分子名称: | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION | 著者 | Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L. | 登録日 | 2007-03-12 | 公開日 | 2007-04-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha. Acs Chem.Biol., 2, 2007
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6ROF
| Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | 分子名称: | 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S. | 登録日 | 2019-05-12 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide To Be Published
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2DJF
| Crystal Structure of human dipeptidyl peptidase I (Cathepsin C) in complex with the inhibitor Gly-Phe-CHN2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ... | 著者 | Molgaard, A, Arnau, J, Lauritzen, C, Larsen, S, Petersen, G, Pedersen, J. | 登録日 | 2006-04-02 | 公開日 | 2006-11-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The crystal structure of human dipeptidyl peptidase I (cathepsin C) in complex with the inhibitor Gly-Phe-CHN2 Biochem.J., 401, 2007
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6RMY
| Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... | 著者 | Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S. | 登録日 | 2019-05-07 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide To Be Published
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6RMX
| Human Carbonic anhydrase II mutant T199V bound by 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | 分子名称: | 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S. | 登録日 | 2019-05-07 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Human Carbonic anhydrase II mutant T199V bound by 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide To Be Published
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5MSA
| Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2017-01-02 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Crystal structure of human carbonic anhydrase
isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide To be published
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