7P9T
 
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8CH4
 | | Crystal structure of the ring cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp. | | 分子名称: | 5-nitrosalicylic acid 1,2-dioxygenase, FE (III) ION | | 著者 | Ferraroni, M, Stolz, A, Eppinger, E. | | 登録日 | 2023-02-07 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of the monocupin ring-cleaving dioxygenase 5-nitrosalicylate 1,2-dioxygenase from Bradyrhizobium sp.
Acta Crystallogr D Struct Biol, 79, 2023
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6QGV
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167) | | 分子名称: | 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione, Egl nine homolog 1, GLYCEROL, ... | | 著者 | Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J. | | 登録日 | 2019-01-13 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
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6U80
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6U6F
 | | The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | | 分子名称: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | | 登録日 | 2019-08-29 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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6LVK
 | | Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative | | 分子名称: | Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[4-(4-methylpiperazin-1-yl)-3-(2-morpholin-4-ylethoxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION | | 著者 | Echizen, Y, Amano, Y, Tateishi, Y. | | 登録日 | 2020-02-04 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2.
Bioorg.Med.Chem., 28, 2020
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6X80
 | | Structure of the Campylobacter jejuni G508A Flagellar Filament | | 分子名称: | 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid, Flagellin A | | 著者 | Kreutzberger, M.A.B, Wang, F, Egelman, E.H. | | 登録日 | 2020-06-01 | | 公開日 | 2020-07-08 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Atomic structure of the Campylobacter jejuni flagellar filament reveals how epsilon Proteobacteria escaped Toll-like receptor 5 surveillance.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7B5O
 | | Cryo-EM structure of the human CAK bound to ICEC0942 at 2.5 Angstroms resolution | | 分子名称: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | 著者 | Greber, B.J, Remis, J, Ali, S, Nogales, E. | | 登録日 | 2020-12-05 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | 2.5 angstrom -resolution structure of human CDK-activating kinase bound to the clinical inhibitor ICEC0942.
Biophys.J., 120, 2021
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5ICR
 | | 2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine. | | 分子名称: | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Acyl-CoA synthase, CHLORIDE ION, ... | | 著者 | Minasov, G, Shuvalova, L, Hung, D, Fisher, S.L, Edelstein, J, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-02-23 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | 2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine.
To Be Published
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5MKX
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7U9C
 | | Crystal Structure of the wild type Escherichia coli Pyridoxal 5'-phosphate homeostasis protein (YGGS) | | 分子名称: | PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein | | 著者 | Donkor, A.K, Ghatge, M.S, Safo, M.K, Musayev, F.N. | | 登録日 | 2022-03-10 | | 公開日 | 2022-03-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
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9C6M
 | | Yasminevirus c12orf29, a 5' to 3' RNA ligase, K73M mutant | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, RNA ligase1 | | 著者 | Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R. | | 登録日 | 2024-06-07 | | 公開日 | 2024-10-02 | | 最終更新日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6O3Z
 | | Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1) | | 分子名称: | 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant | | 著者 | Min, X, Wang, Z. | | 登録日 | 2019-02-27 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 11, 2020
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6QFE
 | | Crystal Structure of Human Kallikrein 5 in complex with GSK144 | | 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, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, ... | | 著者 | Thorpe, J.H. | | 登録日 | 2019-01-10 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
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5MLI
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6T8W
 | | Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | 分子名称: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | 登録日 | 2019-10-25 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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6FKZ
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4EL9
 | | Structure of N-terminal kinase domain of RSK2 with afzelin | | 分子名称: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Ribosomal protein S6 kinase alpha-3 | | 著者 | Utepbergenov, D, Derewenda, U, Derewenda, Z.S. | | 登録日 | 2012-04-10 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Insights into the Inhibition of the p90 Ribosomal S6 Kinase (RSK) by the Flavonol Glycoside SL0101 from the 1.5 A Crystal Structure of the N-Terminal Domain of RSK2 with Bound Inhibitor.
Biochemistry, 51, 2012
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8FVC
 | | E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 5 mM MgCl2) | | 分子名称: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID | | 著者 | Holyoak, T, McLeod, M.J, Tran, N. | | 登録日 | 2023-01-18 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.281 Å) | | 主引用文献 | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
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7QHL
 | | Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24 | | 分子名称: | 1,2-ETHANEDIOL, 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine, Cyclin-A2, ... | | 著者 | Djukic, S, Skerlova, J, Rezacova, P. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 3,5,7-Substituted Pyrazolo[4,3- d ]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders.
J.Med.Chem., 65, 2022
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6UOZ
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6Y5B
 | | 5-HT3A receptor in Salipro (apo, asymmetric) | | 分子名称: | 5-hydroxytryptamine receptor 3A | | 著者 | Zhang, Y, Dijkman, P.M, Zou, R, Zandl-Lang, M, Sanchez, R.M, Eckhardt-Strelau, L, Koefeler, H, Vogel, H, Yuan, S, Kudryashev, M. | | 登録日 | 2020-02-25 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Asymmetric opening of the homopentameric 5-HT 3A serotonin receptor in lipid bilayers.
Nat Commun, 12, 2021
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5LGN
 | | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | | 著者 | Mattevi, A, Ciossani, G. | | 登録日 | 2016-07-07 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration.
J. Med. Chem., 60, 2017
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6Y59
 | | 5-HT3A receptor in Salipro (apo, C5 symmetric) | | 分子名称: | 5-hydroxytryptamine receptor 3A | | 著者 | Zhang, Y, Dijkman, P.M, Zou, R, Zandl-Lang, M, Sanchez, R.M, Eckhardt-Strelau, L, Koefeler, H, Vogel, H, Yuan, S, Kudryashev, M. | | 登録日 | 2020-02-25 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Asymmetric opening of the homopentameric 5-HT 3A serotonin receptor in lipid bilayers.
Nat Commun, 12, 2021
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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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