7AZY
 
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5H1D
 | | Crystal structure of C-terminal of RhoGDI2 | | Descriptor: | Rho GDP-dissociation inhibitor 2 | | Authors: | Liu, J. | | Deposit date: | 2016-10-08 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.494 Å) | | Cite: | NMR characterization of weak interactions between RhoGDI2 and fragment screening hits.
Biochim. Biophys. Acta, 1861, 2017
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5GJG
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4 | | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-06-29 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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7AOP
 | | Structure of NUDT15 in complex with inhibitor TH8321 | | Descriptor: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir.
Cell Chem Biol, 28, 2021
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7AMZ
 | | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | | Descriptor: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | | Deposit date: | 2020-10-10 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
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7AOM
 | | Structure of NUDT15 in complex with Ganciclovir triphosphate | | Descriptor: | Ganciclovir triphosphate, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir.
Cell Chem Biol, 28, 2021
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7AWE
 | | HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Musil, D, Klein, M. | | Deposit date: | 2020-11-06 | | Release date: | 2021-06-09 | | Last modified: | 2021-08-11 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | M3258 Is a Selective Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i) Delivering Efficacy in Multiple Myeloma Models.
Mol.Cancer Ther., 20, 2021
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5WFR
 | | Ligand-bound Ras:SOS:Ras complex | | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | | Deposit date: | 2017-07-12 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
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8FN6
 | | Cryo-EM structure of RNase-untreated RESC-A in trypanosomal RNA editing | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RNA-editing substrate-binding complex protein 1 (RESC1), RNA-editing substrate-binding complex protein 2 (RESC2), ... | | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
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5WGL
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5UN1
 | | Crystal structure of GluN1/GluN2B delta-ATD NMDA receptor | | Descriptor: | (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Song, X, Gouaux, E. | | Deposit date: | 2017-01-30 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Mechanism of NMDA receptor channel block by MK-801 and memantine.
Nature, 556, 2018
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8FNC
 | | Cryo-EM structure of RNase-treated RESC-C in trypanosomal RNA editing | | Descriptor: | Mitochondrial RNA binding complex 1 subunit, Mitochondrial RNA binding protein, Phytanoyl-CoA dioxygenase family protein, ... | | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
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5WH5
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4J58
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Colliandre, L, Gelin, M, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
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5GU2
 | | Crystal structure of Au(M).CL-apo-E45C/R52C-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | Authors: | Maity, B, Abe, S, Ueno, T. | | Deposit date: | 2016-08-24 | | Release date: | 2017-03-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Observation of gold sub-nanocluster nucleation within a crystalline protein cage
Nat Commun, 8, 2017
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8FNF
 | | Cryo-EM structure of RNase-untreated RESC-C in trypanosomal RNA editing | | Descriptor: | Mitochondrial RNA binding complex 1 subunit, Mitochondrial RNA binding protein, Phytanoyl-CoA dioxygenase family protein, ... | | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
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8FNI
 | | Cryo-EM structure of RNase-treated RESC-B in trypanosomal RNA editing | | Descriptor: | RNA-editing substrate-binding complex protein 10 (RESC10), RNA-editing substrate-binding complex protein 11 (RESC11), RNA-editing substrate-binding complex protein 13 (RESC13), ... | | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
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8FNK
 | | Cryo-EM structure of RNase-untreated RESC-B in trypanosomal RNA editing | | Descriptor: | RNA-editing substrate-binding complex protein 10 (RESC10), RNA-editing substrate-binding complex protein 11 (RESC11), RNA-editing substrate-binding complex protein 13 (RESC13), ... | | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
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8FRZ
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6WRS
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5GSA
 | | EED in complex with an allosteric PRC2 inhibitor | | Descriptor: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-08-15 | | Release date: | 2017-02-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
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8FSB
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5H0H
 | | Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide | | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK | | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | | Deposit date: | 2016-10-04 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.
Bioorg. Med. Chem., 25, 2017
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8FSP
 | | Full-length mouse 5-HT3A receptor in complex with SMP100, open-like | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one, 5-hydroxytryptamine receptor 3A | | Authors: | Felt, K.C, Chakrapani, S. | | Deposit date: | 2023-01-10 | | Release date: | 2023-12-27 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.79 Å) | | Cite: | Structural basis for partial agonism in 5-HT 3A receptors.
Nat.Struct.Mol.Biol., 31, 2024
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5UY8
 | | Crystal structure of AICARFT bound to an antifolate | | Descriptor: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ... | | Authors: | Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D. | | Deposit date: | 2017-02-23 | | Release date: | 2018-01-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
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