5J84
 
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6ETJ
 | | HUMAN PFKFB3 IN COMPLEX WITH KAN0438241 | | 分子名称: | 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Gustafsson, N.M.S, Lundback, T, Farnegardh, K, Groth, P, Wiitta, E, Jonsson, M, Hallberg, K, Pennisi, R, Huguet Ninou, A, Martinsson, J, Norstrom, C, Schultz, J, Andersson, M, Markova, N, Marttila, P, Norin, M, Olin, T, Helleday, T. | | 登録日 | 2017-10-26 | | 公開日 | 2018-11-07 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination.
Nat Commun, 9, 2018
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6U07
 | | Computational Stabilization of T Cell Receptor Constant Domains | | 分子名称: | MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) | | 著者 | Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. | | 登録日 | 2019-08-13 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
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6F22
 | | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | | 分子名称: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | 登録日 | 2017-11-23 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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7QOX
 | | Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | 著者 | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | | 登録日 | 2021-12-29 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
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3OGL
 | | Structure of COI1-ASK1 in complex with JA-isoleucine and the JAZ1 degron | | 分子名称: | Coronatine-insensitive protein 1, JAZ1 incomplete degron peptide, N-({(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine, ... | | 著者 | Sheard, L.B, Tan, X, Mao, H, Withers, J, Ben-Nissan, G, Hinds, T.R, Hsu, F, Sharon, M, Browse, J, He, S.Y, Rizo, J, Howe, G.A, Zheng, N. | | 登録日 | 2010-08-17 | | 公開日 | 2010-10-13 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | Jasmonate perception by inositol-phosphate-potentiated COI1-JAZ co-receptor.
Nature, 468, 2010
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8DOU
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5JAQ
 | | Yersinia pestis FabV variant T276C | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | 登録日 | 2016-04-12 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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3B6N
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax | | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION | | 著者 | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | 登録日 | 2007-10-29 | | 公開日 | 2007-11-20 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax.
To be Published
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7QOT
 | | Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa heavy chain, Kininogen-1 light chain, ... | | 著者 | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | | 登録日 | 2021-12-28 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | | 主引用文献 | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
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8J37
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | 登録日 | 2023-04-16 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
K90R mutant in complex with PF00835231
To Be Published
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8J35
 | | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | 登録日 | 2023-04-16 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
G15S mutant in complex with PF00835231
To Be Published
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7QTZ
 | | Crystal structure of Iripin-1 serpin from tick Ixodes ricinus | | 分子名称: | MAGNESIUM ION, Putative salivary serpin | | 著者 | Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T. | | 登録日 | 2022-01-17 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Iripin-1, a new anti-inflammatory tick serpin, inhibits leukocyte recruitment in vivo while altering the levels of chemokines and adhesion molecules.
Front Immunol, 14, 2023
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8ECG
 | | Complex of HMG1 with pitavastatin | | 分子名称: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1, GLYCEROL, Pitavastatin | | 著者 | Haywood, J, Bond, C.S. | | 登録日 | 2022-09-01 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
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8DL0
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8J3A
 | | Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | 登録日 | 2023-04-16 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
Y54C mutant in complex with PF00835231
To Be Published
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8DKY
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6LHV
 | | Structure of FANCA and FANCG Complex | | 分子名称: | Fanconi anemia complementation group A, Fanconi anemia complementation group G | | 著者 | Jeong, E, Lee, S, Shin, J, Kim, Y, Scharer, O, Kim, Y, Kim, H, Cho, Y. | | 登録日 | 2019-12-10 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.59 Å) | | 主引用文献 | Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex.
Nucleic Acids Res., 48, 2020
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8DNE
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7OQH
 | | CryoEM structure of the transcription termination factor Rho from Mycobacterium tuberculosis | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Transcription termination factor Rho | | 著者 | Saridakis, E, Vishwakarma, R, Lai Kee Him, J, Martin, K, Simon, I, Cohen-Gonsaud, M, Coste, F, Bron, P, Margeat, E, Boudvillain, M. | | 登録日 | 2021-06-03 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Cryo-EM structure of transcription termination factor Rho from Mycobacterium tuberculosis reveals bicyclomycin resistance mechanism.
Commun Biol, 5, 2022
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5JL6
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5JL9
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8J38
 | | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | 登録日 | 2023-04-16 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
P132H mutant in complex with PF00835231
To Be Published
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6IAN
 | | T. brucei IFT22/74/81 GTP-bound crystal structure | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Intraflagellar transport protein 74, Intraflagellar transport protein 81, ... | | 著者 | Wachter, S, Basquin, J, Lorentzen, E. | | 登録日 | 2018-11-27 | | 公開日 | 2019-05-01 | | 最終更新日 | 2019-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Binding of IFT22 to the intraflagellar transport complex is essential for flagellum assembly.
Embo J., 38, 2019
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8J3B
 | | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231 | | 分子名称: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | 著者 | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | 登録日 | 2023-04-16 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Crystal structure of SARS-Cov-2 main protease
S46F mutant in complex with PF00835231
To Be Published
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