7DHN
 
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 20 | | 分子名称: | 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Wei, T, Xiao, J. | | 登録日 | 2020-11-16 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7DHK
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 13 | | 分子名称: | 2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Wei, T, Xiao, J. | | 登録日 | 2020-11-16 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.341 Å) | | 主引用文献 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7DHV
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 8 | | 分子名称: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Wei, T, Xiao, J. | | 登録日 | 2020-11-17 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.679 Å) | | 主引用文献 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7DHO
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 14 | | 分子名称: | 2-methoxy-9-(piperidin-4-ylmethylsulfanyl)-7-propan-2-yloxy-acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Wei, T, Xiao, J. | | 登録日 | 2020-11-16 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7DJO
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 17 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | 著者 | Wei, T, Xiao, J. | | 登録日 | 2020-11-20 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.499 Å) | | 主引用文献 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7DL6
 | | The co-crystal structure of DYRK2 with a small molecule inhibitor 18 | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | 著者 | Wei, T, Xiao, J. | | 登録日 | 2020-11-26 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.648 Å) | | 主引用文献 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
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7ND1
 | | First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | | 分子名称: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | | 著者 | Cierpicki, T, Lund, G, Jaremko, L. | | 登録日 | 2021-01-29 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
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6OOR
 | | Structure of 1B1 bound to mouse CD1d | | 分子名称: | Antibody 1B1 Heavy chain, Antibody 1B1 Light chain, Antigen-presenting glycoprotein CD1d1, ... | | 著者 | Ying, G, Zajonc, D.M. | | 登録日 | 2019-04-23 | | 公開日 | 2019-07-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural basis of NKT cell inhibition using the T-cell receptor-blocking anti-CD1d antibody 1B1.
J.Biol.Chem., 294, 2019
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6IIM
 | | USP14 catalytic domain with IU1-206 | | 分子名称: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | 著者 | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | | 登録日 | 2018-10-07 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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8GW1
 | | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors | | 分子名称: | Helicase, MANGANESE (II) ION, Non-structural protein 7, ... | | 著者 | Yan, L, Rao, Z, Lou, Z. | | 登録日 | 2022-09-16 | | 公開日 | 2023-10-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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6IIN
 | | USP14 catalytic domain with IU1-248 | | 分子名称: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14 | | 著者 | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | | 登録日 | 2018-10-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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1DCC
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8GWM
 | | SARS-CoV-2 E-RTC bound with MMP-nsp9 and GMPPNP | | 分子名称: | 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), Helicase, Non-structural protein 7, ... | | 著者 | Yan, L.M, Rao, Z.H, Lou, Z.Y. | | 登録日 | 2022-09-17 | | 公開日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.64 Å) | | 主引用文献 | A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
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6B7H
 | | Structure of mGluR3 with an agonist | | 分子名称: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Monn, J.A, Clawson, D.K. | | 登録日 | 2017-10-04 | | 公開日 | 2018-04-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist.
J. Med. Chem., 61, 2018
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7N9F
 | | Structure of the in situ yeast NPC | | 分子名称: | Dynein light chain 1, cytoplasmic, Nucleoporin 145c, ... | | 著者 | Villa, E, Singh, D, Ludtke, S.J, Akey, C.W, Rout, M.P, Echeverria, I, Suslov, S. | | 登録日 | 2021-06-17 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (37 Å) | | 主引用文献 | Comprehensive structure and functional adaptations of the yeast nuclear pore complex.
Cell, 185, 2022
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6AKY
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide, C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ... | | 著者 | Zhu, Y, Zhao, Q, Wu, B. | | 登録日 | 2018-09-04 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
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6AFR
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | | 分子名称: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | | 著者 | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | | 登録日 | 2018-08-08 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | | 主引用文献 | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
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2AZ5
 | | Crystal Structure of TNF-alpha with a small molecule inhibitor | | 分子名称: | 6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]-4H-CHROMEN-4-ONE, Tumor necrosis factor (TNF-alpha) (Tumor necrosis factor ligand superfamily member 2) (TNF-a) (Cachectin) [Contains: Tumor necrosis factor, membrane form; Tumor necrosis factor, ... | | 著者 | He, M.M. | | 登録日 | 2005-09-09 | | 公開日 | 2005-11-29 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Small-molecule inhibition of TNF-alpha.
Science, 310, 2005
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2RUD
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2E6W
 | | Solution structure and calcium binding properties of EF-hands 3 and 4 of calsenilin | | 分子名称: | CALCIUM ION, Calsenilin | | 著者 | Yu, L, Sun, C, Mendoza, R, Hebert, E, Pereda-Lopez, A, Hajduk, P.J, Olejniczak, E.T. | | 登録日 | 2007-01-05 | | 公開日 | 2007-11-27 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure and calcium-binding properties of EF-hands 3 and 4 of calsenilin.
Protein Sci., 16, 2007
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3K98
 | | HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide | | 分子名称: | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION | | 著者 | Gajiwala, K.S, Davies II, J.F. | | 登録日 | 2009-10-15 | | 公開日 | 2010-02-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
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5Y8W
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-21 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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5Y94
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-22 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
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8CIF
 | | Bovine naive ultralong antibody AbD08 collected at 293K | | 分子名称: | Heavy chain, Light chain | | 著者 | Clarke, J.D, Mikolajek, H, Stuart, D.I, Owens, R.J. | | 登録日 | 2023-02-09 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-07-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
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5YQX
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | 著者 | Xue, X, Zhang, Y, Wang, C, Song, M. | | 登録日 | 2017-11-08 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018
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