4OBA
| Co-crystal structure of MDM2 with Inhibitor Compound 4 | 分子名称: | E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | 登録日 | 2014-01-07 | 公開日 | 2014-03-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | 主引用文献 | Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 57, 2014
|
|
4OCC
| co-crystal structure of MDM2(17-111) in complex with compound 48 | 分子名称: | E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | 著者 | Huang, X. | 登録日 | 2014-01-08 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
|
|
7CAL
| Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Potassium channel KAT1 | 著者 | Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L. | 登録日 | 2020-06-09 | 公開日 | 2020-07-29 | 最終更新日 | 2020-11-18 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis. Cell Res., 30, 2020
|
|
3R4D
| Crystal structure of mouse coronavirus receptor-binding domain complexed with its murine receptor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CEA-related cell adhesion molecule 1, ... | 著者 | Peng, G.Q, Sun, D.W, Rajashankar, K.R, Qian, Z.H, Holmes, K.V, Li, F. | 登録日 | 2011-03-17 | 公開日 | 2011-06-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal structure of mouse coronavirus receptor-binding domain complexed with its murine receptor. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
4GMB
| Crystal structure of human WD repeat domain 5 with compound MM-402 | 分子名称: | MM-402, WD repeat-containing protein 5 | 著者 | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | 登録日 | 2012-08-15 | 公開日 | 2014-02-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.781 Å) | 主引用文献 | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J.Med.Chem., 60, 2017
|
|
4JWR
| |
5UOO
| BRD4 bromodomain 2 in complex with CD161 | 分子名称: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2017-02-01 | 公開日 | 2017-05-17 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor. J. Med. Chem., 60, 2017
|
|
5VFC
| WDR5 bound to inhibitor MM-589 | 分子名称: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | 著者 | Stuckey, J.A. | 登録日 | 2017-04-07 | 公開日 | 2017-06-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J. Med. Chem., 60, 2017
|
|
6BY8
| Menin in complex with MI-1482 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Borkin, T, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | 登録日 | 2017-12-20 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
|
|
6C7Q
| BRD4 BD2 in complex with compound CE277 | 分子名称: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2018-01-23 | 公開日 | 2018-08-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. J. Med. Chem., 61, 2018
|
|
3OQ1
| Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor | 分子名称: | 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Wang, Z, Sudom, A, Walker, N.P. | 登録日 | 2010-09-02 | 公開日 | 2011-07-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
|
|
4PAR
| The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA | 分子名称: | 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2014-04-09 | 公開日 | 2014-06-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA. Nucleic Acids Res., 42, 2014
|
|
3FCO
| Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor | 分子名称: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Wang, Z, Sudom, A, Walker, N.P. | 登録日 | 2008-11-21 | 公開日 | 2009-12-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3FXP
| Thermolysin inhibition | 分子名称: | CALCIUM ION, D-glucose, N~2~-[(2S)-2-{[1-(4-carboxybenzyl)-1H-1,2,3-triazol-4-yl]methyl}-3-methylbutanoyl]-L-lysine, ... | 著者 | Englert, L, Heine, A, Klebe, G. | 登録日 | 2009-01-21 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Thermolysin in complex with triazolic inhibitor To be Published
|
|
3FRJ
| Crystal Structure of 11b-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Piperidyl Benzamide Inhibitor | 分子名称: | Corticosteroid 11-beta-Dehydrogenase, Isozyme 1, N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, ... | 著者 | Wang, Z, Sudom, A, Walker, N.P. | 登録日 | 2009-01-08 | 公開日 | 2009-06-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and optimization of piperidyl benzamide derivatives as a novel class of 11beta-HSD1 inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3FXS
| |
6CJG
| Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | 分子名称: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2018-02-26 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.851 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
|
|
6CJF
| Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | 分子名称: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2018-02-26 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
|
|
5GO7
| Linear tri-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y. | 登録日 | 2016-07-26 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
|
|
5GOC
| Lys11-linked diubiquitin | 分子名称: | D-ubiquitin, SODIUM ION, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y. | 登録日 | 2016-07-26 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.733 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
|
|
5GOI
| Lys48-linked di-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y, Liu, L. | 登録日 | 2016-07-27 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.594 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
|
|
6DUM
| ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | 著者 | Buchman, C.D, Hurley, T.D. | 登録日 | 2018-06-21 | 公開日 | 2019-05-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy. J.Med.Chem., 61, 2018
|
|
5GOG
| Lys29-linked di-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y. | 登録日 | 2016-07-27 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.977 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
|
|
5GOK
| K11/K63-branched tri-Ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y, Liu, L. | 登録日 | 2016-07-27 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
|
|
5GOB
| Lys6-linked di-ubiquitin | 分子名称: | D-ubiquitin, Ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y, Liu, L. | 登録日 | 2016-07-26 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.153 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
|
|