7X48
 
 | | The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pelargonic acid | | 分子名称: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | 著者 | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | 登録日 | 2022-03-02 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (0.86 Å) | | 主引用文献 | The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pelargonic acid
To Be Published
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7X4J
 | | The 0.96 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidic acid | | 分子名称: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | 著者 | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | 登録日 | 2022-03-02 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | | 主引用文献 | The 0.96 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidic acid
To Be Published
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7X50
 | | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heneicosanoic acid | | 分子名称: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | 著者 | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | 登録日 | 2022-03-03 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | | 主引用文献 | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heneicosanoic acid
To Be Published
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6ZHS
 | | Uba1 bound to two E2 (Ubc13) molecules | | 分子名称: | GLYCEROL, SULFATE ION, Ubiquitin-activating enzyme E1 1, ... | | 著者 | Misra, M, Schindelin, H. | | 登録日 | 2020-06-23 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system.
To Be Published
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6ZHT
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6ZHU
 | | Yeast Uba1 in complex with Ubc3 and ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ubiquitin-activating enzyme E1 1, ... | | 著者 | Misra, M, Schindelin, H. | | 登録日 | 2020-06-23 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system
To Be Published
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7X85
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3S5J
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6ZMC
 | | Structure of the tRNA-Monooxygenase enzyme MiaE frozen under 2000 bar using the high pressure freezing method | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGON, CALCIUM ION, ... | | 著者 | Carpentier, P, Atta, M. | | 登録日 | 2020-07-02 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction.
Nucleic Acids Res., 48, 2020
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7QSI
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3SBJ
 | | MutM slanted complex 7 | | 分子名称: | 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*AP*GP*G)-3', 5'-D(P*CP*CP*TP*GP*GP*TP*(CX)P*TP*AP*CP*C)-3', Formamidopyrimidine-DNA glycosylase, ... | | 著者 | Sung, R.J, Zhang, M, Verdine, G.L. | | 登録日 | 2011-06-05 | | 公開日 | 2012-01-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Strandwise translocation of a DNA glycosylase on undamaged DNA.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7XBC
 | | The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lignoceric acid | | 分子名称: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ... | | 著者 | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | 登録日 | 2022-03-21 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (0.92 Å) | | 主引用文献 | The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lignoceric acid
To Be Published
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8E1A
 | | Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor | | 著者 | Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A. | | 登録日 | 2022-08-10 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
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1UIR
 | | Crystal Structure of Polyamine Aminopropyltransfease from Thermus thermophilus | | 分子名称: | Polyamine Aminopropyltransferase | | 著者 | Ganbe, T, Ohnuma, M, Sato, T, Kumasaka, T, Oshima, T, Tanaka, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2003-07-18 | | 公開日 | 2003-08-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures and enzymatic properties of a triamine/agmatine aminopropyltransferase from Thermus thermophilus
J.Mol.Biol., 408, 2011
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4MD6
 | | Crystal structure of PDE5 in complex with inhibitor 5R | | 分子名称: | 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Cui, W, Huang, M, Shao, Y, Luo, H. | | 登録日 | 2013-08-22 | | 公開日 | 2014-07-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure.
Biochem Pharmacol, 89, 2014
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6ZTP
 | | E. coli 70S-RNAP expressome complex in uncoupled state 6 | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Webster, M.W, Takacs, M, Weixlbaumer, A. | | 登録日 | 2020-07-20 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
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4LV9
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | 分子名称: | 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | 登録日 | 2013-07-26 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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8QKE
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MH-13), ... | | 著者 | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | 登録日 | 2023-09-15 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | | 主引用文献 | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
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7QPV
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | 分子名称: | 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Leonard, P.M, Langgard, M. | | 登録日 | 2022-01-05 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QPM
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | 分子名称: | 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Leonard, P.M, Langgard, M. | | 登録日 | 2022-01-05 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QPF
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | 分子名称: | 2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Leonard, P.M, Langgard, M. | | 登録日 | 2022-01-04 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QPQ
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | 分子名称: | 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Leonard, P.M, Langgard, M. | | 登録日 | 2022-01-05 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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7QQ4
 | | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | | 分子名称: | 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Leonard, P.M, Langgard, M. | | 登録日 | 2022-01-06 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
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6ZO1
 | | 1.61 A resolution 3,5-dimethylcatechol (3,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | 著者 | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8QKJ
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-133), ... | | 著者 | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | 登録日 | 2023-09-15 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.767 Å) | | 主引用文献 | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
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