2X24
 
 | | bovine ACC2 CT domain in complex with inhibitor | | 分子名称: | ACETYL-COA CARBOXYLASE, TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE | | 著者 | Oster, L, Folmer, R, Blaho, S, Wiberg, F, Hallberg, K. | | 登録日 | 2010-01-11 | | 公開日 | 2011-01-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design of Small Molecule Inhibitors of Acetyl-Coa Carboxylase 1 and 2 Showing Reduction of Hepatic Malonyl-Coa Levels in Vivo in Obese Zucker Rats.
Bioorg.Med.Chem., 19, 2011
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7PR5
 | | Cocrystal of an RSL-N23H and sulfonato-thiacalix[4]arene - zinc complex | | 分子名称: | Fucose-binding lectin protein, GLYCEROL, ZINC ION, ... | | 著者 | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | 登録日 | 2021-09-20 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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7P2I
 | | Dimethylated fusion protein of RSL and nucleoporin peptide (Nup) in complex with cucurbit[7]uril, F432 cage assembly | | 分子名称: | Fucose-binding lectin protein, cucurbit[7]uril, methyl alpha-L-fucopyranoside | | 著者 | Guagnini, F, Ramberg, K, Crowley, P.B. | | 登録日 | 2021-07-06 | | 公開日 | 2021-09-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.489 Å) | | 主引用文献 | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.
Chemistry, 27, 2021
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7PR4
 | | Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster | | 分子名称: | Cytochrome c iso-1, HEME C, PHOSPHATE ION, ... | | 著者 | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | 登録日 | 2021-09-20 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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7PR3
 | | Cocrystal Form I of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster | | 分子名称: | Cytochrome c iso-1, HEME C, PHOSPHATE ION, ... | | 著者 | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | 登録日 | 2021-09-20 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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1I7G
 | | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN FROM HUMAN PPAR-ALPHA IN COMPLEX WITH THE AGONIST AZ 242 | | 分子名称: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA, ... | | 著者 | Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. | | 登録日 | 2001-03-09 | | 公開日 | 2002-03-09 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family.
Structure, 9, 2001
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1I7I
 | | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST AZ 242 | | 分子名称: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA | | 著者 | Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. | | 登録日 | 2001-03-09 | | 公開日 | 2002-03-09 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family.
Structure, 9, 2001
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8C9Y
 | | The MK-RSL - sulfonato-calix[8]arene complex, H32 form | | 分子名称: | GLYCEROL, Putative fucose-binding lectin protein, beta-D-fructopyranose, ... | | 著者 | Mockler, N.M, Ramberg, K, Crowley, P.B. | | 登録日 | 2023-01-23 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Protein-macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin-sulfonato-calix[8]arene complex.
Acta Crystallogr D Struct Biol, 79, 2023
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8C9Z
 | | The RSL - sulfonato-calix[8]arene complex, H32 form, citrate pH 6.0 | | 分子名称: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | 著者 | Mockler, N.M, Ramberg, K, Crowley, P.B. | | 登録日 | 2023-01-23 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Protein-macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin-sulfonato-calix[8]arene complex.
Acta Crystallogr D Struct Biol, 79, 2023
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7BBT
 | | Structure of cytochrome c in complex with a p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane | | 分子名称: | 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate, Cytochrome c iso-1, HEME C, ... | | 著者 | Mockler, N.M, Ramberg, K, Guagnini, F, Raston, C.L, Crowley, P.B. | | 登録日 | 2020-12-18 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.023 Å) | | 主引用文献 | Noncovalent Protein-Pseudorotaxane Assembly Incorporating an Extended Arm Calix[8]arene with alpha-Helical Recognition Properties.
Cryst.Growth Des., 21, 2021
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7PR2
 | | Cocrystal of cytochrome c and sulfonato-thiacalix[4]arene | | 分子名称: | Cytochrome c iso-1, HEME C, sulfonato-thiacalix[4]arene | | 著者 | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | 登録日 | 2021-09-20 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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6ZUK
 | | Crystal structure of dimethylated RSL-N23H/G68H (RSL-B6) in complex with cucurbit[7]uril and zinc | | 分子名称: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | | 著者 | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | | 登録日 | 2020-07-23 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Metal-Mediated Protein-Cucurbituril Crystalline Architectures
Cryst.Growth Des., 2020
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6ZUL
 | | Crystal structure of dimethylated RSL in complex with cucurbit[7]uril and zinc | | 分子名称: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | | 著者 | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | | 登録日 | 2020-07-23 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Metal-Mediated Protein-Cucurbituril Crystalline Architectures
Cryst.Growth Des., 2020
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6ZUM
 | | Crystal structure of dimethylated RSL-N23H (RSL-B3) in complex with cucurbit[7]uril and zinc | | 分子名称: | ACETATE ION, Fucose-binding lectin protein, SODIUM ION, ... | | 著者 | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | | 登録日 | 2020-07-23 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.589 Å) | | 主引用文献 | Metal-Mediated Protein-Cucurbituril Crystalline Architectures
Cryst.Growth Des., 2020
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3KII
 | | AGAO 5-phenoxy-2,3-pentadienylamine complex | | 分子名称: | COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ... | | 著者 | Nguyen, Y.H, Ernberg, K.E, Guss, J.M. | | 登録日 | 2009-11-02 | | 公開日 | 2010-10-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | AGAO 5-phenoxy-2,3-pentadienylamine complex
To be Published
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3KN4
 | | AGAO 6-phenyl-2,3-hexadienylamine complex | | 分子名称: | COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ... | | 著者 | Nguyen, Y.H, Ernberg, K.E, Guss, J.M. | | 登録日 | 2009-11-12 | | 公開日 | 2010-10-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | AGAO 6-phenyl-2,3-hexadienylamine complex
To be Published
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5G3N
 | | Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | | 分子名称: | 3-(5'-BENZYL-2'-CARBAMOYLBIPHENYL-3-YL)PROPANOIC ACID, CALCIUM ION, FORMIC ACID, ... | | 著者 | Sandmark, J, Bodin, C, Hallberg, K. | | 登録日 | 2016-04-29 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease
Acs Med.Chem.Lett., 7, 2016
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5G3M
 | | Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | | 分子名称: | 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sandmark, J, Bodin, C, Hallberg, K. | | 登録日 | 2016-04-29 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease
Acs Med.Chem.Lett., 7, 2016
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4BWM
 | | KlenTaq mutant in complex with a RNA/DNA hybrid | | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOCP)-3', 5'-R(*AP*AP*AP*GP*GP*GP*CP*GP*CP*CP*GP*UP*GP*GP*UP*C)-3', ... | | 著者 | Blatter, N, Bergen, K, Welte, W, Diederichs, K, Marx, A. | | 登録日 | 2013-07-03 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.749 Å) | | 主引用文献 | Structure and Function of an RNA-Reading Thermostable DNA Polymerase.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4BWJ
 | | KlenTaq mutant in complex with DNA and ddCTP | | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOCP)-3', ... | | 著者 | Blatter, N, Bergen, K, Welte, W, Diederichs, K, Marx, A. | | 登録日 | 2013-07-03 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure and Function of an RNA-Reading Thermostable DNA Polymerase.
Angew.Chem.Int.Ed.Engl., 52, 2013
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1P51
 | | Anabaena HU-DNA cocrystal structure (AHU6) | | 分子名称: | 5'-D(*GP*CP*AP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*T)-3', DNA-binding protein HU | | 著者 | Swinger, K.K, Lemberg, K.M, Zhang, Y, Rice, P.A. | | 登録日 | 2003-04-24 | | 公開日 | 2003-05-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Flexible DNA bending in HU-DNA cocrystal structures
Embo J., 22, 2003
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1P78
 | | Anabaena HU-DNA cocrystal structure (AHU2) | | 分子名称: | 5'-D(*TP*GP*CP*AP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*CP*C)-3', DNA-binding protein HU | | 著者 | Swinger, K.S, Lemberg, K.M, Zhang, Y, Rice, P.A. | | 登録日 | 2003-04-30 | | 公開日 | 2003-05-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Flexible DNA bending in HU-DNA cocrystal structures
Embo J., 22, 2003
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1P71
 | | Anabaena HU-DNA corcrystal structure (TR3) | | 分子名称: | 5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*CP*C)-3', DNA-binding protein HU | | 著者 | Swinger, K.S, Lemberg, K.M, Zhang, Y, Rice, P.A. | | 登録日 | 2003-04-30 | | 公開日 | 2003-05-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Flexible DNA bending in HU-DNA cocrystal structures
Embo J., 22, 2003
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6F23
 | | Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | | 分子名称: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | | 著者 | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | 登録日 | 2017-11-23 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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6F20
 | | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | 登録日 | 2017-11-23 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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