6LXB
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![BU of 6lxb by Molmil](/molmil-images/mine/6lxb) | X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by soaking | 分子名称: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha | 著者 | Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | 登録日 | 2020-02-10 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7KRF
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![BU of 7krf by Molmil](/molmil-images/mine/7krf) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710) | 分子名称: | 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | 著者 | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-11-19 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. Acs Med.Chem.Lett., 12, 2021
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6M35
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![BU of 6m35 by Molmil](/molmil-images/mine/6m35) | Crystal structure of sulfur oxygenase reductase from Sulfurisphaera tokodaii | 分子名称: | FE (III) ION, GLYCEROL, SULFATE ION, ... | 著者 | Sato, Y, Yabuki, T, Arakawa, T, Yamada, C, Fushinobu, S, Wakagi, T. | 登録日 | 2020-03-02 | 公開日 | 2020-07-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Crystallographic and cryogenic electron microscopic structures and enzymatic characterization of sulfur oxygenase reductase fromSulfurisphaera tokodaii. J Struct Biol X, 4, 2020
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6M4W
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![BU of 6m4w by Molmil](/molmil-images/mine/6m4w) | Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin | 分子名称: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | 著者 | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | 登録日 | 2020-03-09 | 公開日 | 2020-08-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | Rational design and implementation of a chemically inducible heterotrimerization system. Nat.Methods, 17, 2020
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7DG4
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7KRC
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![BU of 7krc by Molmil](/molmil-images/mine/7krc) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709) | 分子名称: | 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | 著者 | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2020-11-19 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. Acs Med.Chem.Lett., 12, 2021
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6M7K
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![BU of 6m7k by Molmil](/molmil-images/mine/6m7k) | Structure of mouse RECON (AKR1C13) in complex with cyclic AMP-AMP-GMP (cAAG) | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C13, cyclic AMP-AMP-GMP | 著者 | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | 登録日 | 2018-08-20 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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6M8O
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7DH3
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6LUF
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7DHH
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![BU of 7dhh by Molmil](/molmil-images/mine/7dhh) | The co-crystal structure of DYRK2 with a small molecule inhibitor 19 | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol | 著者 | Wei, T, Xiao, J. | 登録日 | 2020-11-14 | 公開日 | 2021-11-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.486 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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7DHN
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![BU of 7dhn by Molmil](/molmil-images/mine/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
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![BU of 7dhk by Molmil](/molmil-images/mine/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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6LW0
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![BU of 6lw0 by Molmil](/molmil-images/mine/6lw0) | Crystal structure of TLR7/Cpd-6 (DSR-139293) complex | 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, 2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine, ... | 著者 | Zhang, Z, Ohto, U, Shimizu, T. | 登録日 | 2020-02-06 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural analysis reveals TLR7 dynamics underlying antagonism. Nat Commun, 11, 2020
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7DJI
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6LW2
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![BU of 6lw2 by Molmil](/molmil-images/mine/6lw2) | The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | 分子名称: | 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | 登録日 | 2020-02-07 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis. J.Med.Chem., 63, 2020
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6F5H
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![BU of 6f5h by Molmil](/molmil-images/mine/6f5h) | Crystal structure of USP7 in complex with a 4-hydroxypiperidine based inhibitor | 分子名称: | 3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Harrison, T, Gavory, G, O'Dowd, C, Helm, M, Flasz, J, Dossang, A, Hughes, C, Cassidy, E, McClelland, K, Odrzywol, E, Page, N, Barker, O, Miel, H, Feutron-Burton, S, Rountree, J.S.S. | 登録日 | 2017-12-01 | 公開日 | 2018-04-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Identification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors. ACS Med Chem Lett, 9, 2018
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6M4P
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![BU of 6m4p by Molmil](/molmil-images/mine/6m4p) | Cytochrome P450 monooxygenase StvP2 substrate-bound structure | 分子名称: | 6-methoxy-streptovaricin C, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y. | 登録日 | 2020-03-08 | 公開日 | 2020-08-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis. Nat Commun, 11, 2020
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6M48
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![BU of 6m48 by Molmil](/molmil-images/mine/6m48) | Crystal structure of pilus adhesin, SpaC from Lactobacillus rhamnosus GG - P21212 form | 分子名称: | CHLORIDE ION, MAGNESIUM ION, SpaC | 著者 | Kant, A, Palva, A, Von Ossowaski, I, Krishnan, V. | 登録日 | 2020-03-05 | 公開日 | 2020-07-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of lactobacillar SpaC reveals an atypical five-domain pilus tip adhesin: Exposing its substrate-binding and assembly in SpaCBA pili. J.Struct.Biol., 211, 2020
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7DSY
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![BU of 7dsy by Molmil](/molmil-images/mine/7dsy) | Crystal Structure of RNase L in complex with KM05073 | 分子名称: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, ... | 著者 | Tang, J, Huang, H. | 登録日 | 2021-01-03 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | 主引用文献 | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery J.Med.Chem., 65, 2022
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6M5A
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![BU of 6m5a by Molmil](/molmil-images/mine/6m5a) | Crystal structure of GH121 beta-L-arabinobiosidase HypBA2 from Bifidobacterium longum | 分子名称: | 1,2-ETHANEDIOL, Beta-L-arabinobiosidase, CALCIUM ION, ... | 著者 | Saito, K, Arakawa, T, Yamada, C, Fujita, K, Fushinobu, S. | 登録日 | 2020-03-10 | 公開日 | 2020-06-03 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal structure of beta-L-arabinobiosidase belonging to glycoside hydrolase family 121. Plos One, 15, 2020
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6M7L
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![BU of 6m7l by Molmil](/molmil-images/mine/6m7l) | Complex of OxyA with the X-domain from GPA biosynthesis | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase | 著者 | Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J. | 登録日 | 2018-08-20 | 公開日 | 2019-05-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.648297 Å) | 主引用文献 | Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics. Nat Commun, 10, 2019
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7DLV
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![BU of 7dlv by Molmil](/molmil-images/mine/7dlv) | shrimp dUTPase in complex with Stl | 分子名称: | CALCIUM ION, Orf20, SULFATE ION, ... | 著者 | Ma, Q, Wang, F. | 登録日 | 2020-11-30 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.525 Å) | 主引用文献 | Structural basis of staphylococcal Stl inhibition on a eukaryotic dUTPase. Int.J.Biol.Macromol., 184, 2021
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6MAX
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7DKN
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![BU of 7dkn by Molmil](/molmil-images/mine/7dkn) | Crystal structure of Sulfurisphaera tokodaii O6-methylguanine methyltransferase | 分子名称: | Methylated-DNA--protein-cysteine methyltransferase, SULFATE ION | 著者 | Kikuchi, M, Yamauchi, T, Iizuka, Y, Tsunoda, M. | 登録日 | 2020-11-25 | 公開日 | 2021-12-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Roles of the hydroxy group of tyrosine in crystal structures of Sulfurisphaera tokodaii O6-methylguanine-DNA methyltransferase. Acta Crystallogr.,Sect.F, 77, 2021
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