6BRU
 
 | | Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor | | 分子名称: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, SULFATE ION, ... | | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Aquino, B, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | 登録日 | 2017-12-01 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor
To Be Published
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4TUT
 | | Structure of a Prion peptide | | 分子名称: | Prion peptide: GLY-GLY-TYR-MET-LEU-GLY | | 著者 | Yu, L, Lee, S.-J, Yee, V. | | 登録日 | 2014-06-24 | | 公開日 | 2015-05-27 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | | 主引用文献 | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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5Z6F
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9UMA
 | | CryoEM structure of T.thermophilus transcription initiation complex bound to Gp4A-C, -1 dA in the template DNA strand | | 分子名称: | CHAPSO, CYTIDINE-5'-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, ... | | 著者 | Duan, W, Kaushik, A, Serganov, A. | | 登録日 | 2025-04-21 | | 公開日 | 2025-10-22 | | 最終更新日 | 2025-10-29 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | Molecular basis for noncanonical transcription initiation from Np 4 A alarmones.
Nat.Chem.Biol., 2025
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7VEK
 | | Crystal structure of Phytolacca americana UGT3 with capsaicin and UDP-2fluoroglucose | | 分子名称: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Glycosyltransferase, ... | | 著者 | Maharjan, R, Fukuda, Y, Nakayama, T, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T. | | 登録日 | 2021-09-09 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for substrate recognition in the Phytolacca americana glycosyltransferase PaGT3.
Acta Crystallogr D Struct Biol, 78, 2022
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8V0C
 | | Structure of TDP1 catalytic domain complexed with compound IB06 | | 分子名称: | (8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | 登録日 | 2023-11-17 | | 公開日 | 2024-09-25 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structures of TDP1 complexed with inhibitors
To Be Published
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9BUJ
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7CJM
 | | SARS CoV-2 PLpro in complex with GRL0617 | | 分子名称: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION | | 著者 | Fu, Z, Huang, H. | | 登録日 | 2020-07-11 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
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7PK8
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-08-25 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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5E3B
 | | Structure of macrodomain protein from Streptomyces coelicolor | | 分子名称: | 1,2-ETHANEDIOL, Macrodomain protein, SODIUM ION | | 著者 | Lalic, J, Posavec Marjanovic, M, Perina, D, Sabljic, I, Zaja, R, Plese, B, Imesek, M, Bucca, G, Ahel, M, Cetkovic, H, Luic, M, Mikoc, A, Ahel, I. | | 登録日 | 2015-10-02 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Disruption of Macrodomain Protein SCO6735 Increases Antibiotic Production in Streptomyces coelicolor.
J.Biol.Chem., 291, 2016
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7ZPG
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND | | 分子名称: | Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone | | 著者 | Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L. | | 登録日 | 2022-04-27 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature.
Plos One, 17, 2022
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6FUR
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5KL7
 | | Wilms Tumor Protein (WT1) ZnF2-4Q369R in complex with carboxylated DNA | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | 著者 | Hashimoto, H, Cheng, X. | | 登録日 | 2016-06-23 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | | 主引用文献 | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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8UZZ
 | | Structure of TDP1 catalytic domain complexed with compound IB03 | | 分子名称: | (8M)-8-{2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke Jr, T.R. | | 登録日 | 2023-11-16 | | 公開日 | 2024-09-25 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structureal analysis of TDP1 in complex with inhbitors
To Be Published
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7PJG
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-08-24 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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5ZBL
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7N53
 | | Complex structure of PAP4 with papaverine | | 分子名称: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ... | | 著者 | Kim, W, Zhang, Y. | | 登録日 | 2021-06-04 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
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7ZXS
 | | Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295 | | 分子名称: | 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ross, B, Huber, R. | | 登録日 | 2022-05-22 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
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9UKU
 | | CryoEM structure of the T.thermophilus transcription initiation complex bound to Gp4A-C, -1 dC in the template DNA strand | | 分子名称: | CHAPSO, CYTIDINE-5'-MONOPHOSPHATE, DNA-directed RNA polymerase subunit alpha, ... | | 著者 | Duan, W, Kaushik, A, Serganov, A. | | 登録日 | 2025-04-18 | | 公開日 | 2025-10-22 | | 最終更新日 | 2025-10-29 | | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | | 主引用文献 | Molecular basis for noncanonical transcription initiation from Np 4 A alarmones.
Nat.Chem.Biol., 2025
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4RPV
 | | co-crystal structure of Pim1 with compound 3 | | 分子名称: | (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1 | | 著者 | Huang, X. | | 登録日 | 2014-10-31 | | 公開日 | 2015-02-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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5O7N
 | | Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid | | 分子名称: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase VIM-2, ... | | 著者 | Buettner, D, Kramer, J.S, Pogoryelov, D, Proschak, E. | | 登録日 | 2017-06-09 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-beta-Lactamases.
Acs Infect Dis., 4, 2018
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7EZ2
 | | Holo L-16 ScaI Tetrahymena ribozyme | | 分子名称: | Holo L-16 ScaI Tetrahymena ribozyme, Holo L-16 ScaI Tetrahymena ribozyme S1, Holo L-16 ScaI Tetrahymena ribozyme S2, ... | | 著者 | Su, Z, Zhang, K, Kappel, K, Luo, B, Das, R, Chiu, W. | | 登録日 | 2021-06-01 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Cryo-EM structures of full-length Tetrahymena ribozyme at 3.1 angstrom resolution.
Nature, 596, 2021
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8WYH
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7VTQ
 | | Cryo-EM structure of mouse NLRP3 (full-length) dodecamer | | 分子名称: | 1-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-3-(1,2,3,5-tetrahydro-s-indacen-4-yl)urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | 著者 | Ohto, U, Shimizu, T. | | 登録日 | 2021-10-30 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.55 Å) | | 主引用文献 | Structural basis for the oligomerization-mediated regulation of NLRP3 inflammasome activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8BGL
 | | Structure of the dimeric rsCherryRev1.4 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PAmCherry1 protein, ... | | 著者 | Bui, T.Y.H, Van Meervelt, L. | | 登録日 | 2022-10-28 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | An unusual disulfide-linked dimerization in the fluorescent protein rsCherryRev1.4.
Acta Crystallogr.,Sect.F, 79, 2023
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