7RIO
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![BU of 7rio by Molmil](/molmil-images/mine/7rio) | human PXR LBD bound to GSK003 | Descriptor: | Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide | Authors: | Williams, S.P, Wisely, G.B, Ward, P. | Deposit date: | 2021-07-20 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021
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7RIV
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![BU of 7riv by Molmil](/molmil-images/mine/7riv) | human PXR LBD bound to GSK001 | Descriptor: | Dabrafenib, Isoform 1C of Nuclear receptor subfamily 1 group I member 2 | Authors: | Williams, S.P, Wisely, G.B, Ward, P. | Deposit date: | 2021-07-20 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021
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7RIU
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![BU of 7riu by Molmil](/molmil-images/mine/7riu) | human PXR LBD bound to GSK002 | Descriptor: | Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide | Authors: | Williams, S.P, Wisely, G.B, Ward, P. | Deposit date: | 2021-07-20 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction. Acs Med.Chem.Lett., 12, 2021
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6XWM
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![BU of 6xwm by Molmil](/molmil-images/mine/6xwm) | Mechanism of substrate release in neurotransmitter:sodium symporters: the structure of LeuT in an inward-facing occluded conformation | Descriptor: | Na(+):neurotransmitter symporter (Snf family), PHENYLALANINE, SODIUM ION | Authors: | Boesen, T, Nissen, P, Gotfryd, K, Loland, C.J, Gether, U. | Deposit date: | 2020-01-24 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release. Nat Commun, 11, 2020
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6XZ5
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![BU of 6xz5 by Molmil](/molmil-images/mine/6xz5) | |
8GRM
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![BU of 8grm by Molmil](/molmil-images/mine/8grm) | Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome | Descriptor: | COMMD3 protein, DNA (144-MER), DNA (145-MER), ... | Authors: | Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L. | Deposit date: | 2022-09-02 | Release date: | 2023-04-12 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination. Chem, 2023
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7UZ9
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![BU of 7uz9 by Molmil](/molmil-images/mine/7uz9) | |
7UZ8
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![BU of 7uz8 by Molmil](/molmil-images/mine/7uz8) | |
7UZA
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![BU of 7uza by Molmil](/molmil-images/mine/7uza) | |
7UZ5
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![BU of 7uz5 by Molmil](/molmil-images/mine/7uz5) | |
6GXO
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![BU of 6gxo by Molmil](/molmil-images/mine/6gxo) | Cryo-EM structure of a rotated E. coli 70S ribosome in complex with RF3-GDPCP, RF1(GAQ) and P/E-tRNA (State IV) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Graf, M, Huter, P, Maracci, C, Peterek, M, Rodnina, M.V, Wilson, D.N. | Deposit date: | 2018-06-27 | Release date: | 2018-08-15 | Last modified: | 2018-10-24 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Visualization of translation termination intermediates trapped by the Apidaecin 137 peptide during RF3-mediated recycling of RF1. Nat Commun, 9, 2018
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7UZ6
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![BU of 7uz6 by Molmil](/molmil-images/mine/7uz6) | |
6OP9
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![BU of 6op9 by Molmil](/molmil-images/mine/6op9) | HER3 pseudokinase domain bound to bosutinib | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Receptor tyrosine-protein kinase erbB-3 | Authors: | Littlefield, P, Agnew, C, Jura, N. | Deposit date: | 2019-04-24 | Release date: | 2019-08-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Targetable HER3 functions driving tumorigenic signaling in HER2-amplified cancers. Cell Rep, 38, 2022
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6O8U
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![BU of 6o8u by Molmil](/molmil-images/mine/6o8u) | Crystal structure of IRAK4 in complex with compound 23 | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | Authors: | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | Deposit date: | 2019-03-12 | Release date: | 2019-05-22 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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7UZ4
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![BU of 7uz4 by Molmil](/molmil-images/mine/7uz4) | |
7UZ7
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![BU of 7uz7 by Molmil](/molmil-images/mine/7uz7) | |
6XDS
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![BU of 6xds by Molmil](/molmil-images/mine/6xds) | |
5OEW
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![BU of 5oew by Molmil](/molmil-images/mine/5oew) | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538 | Descriptor: | 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ... | Authors: | Larsen, A.P, Frydenvang, K.A, Kastrup, J.S. | Deposit date: | 2017-07-10 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency. J. Med. Chem., 61, 2018
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4S27
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![BU of 4s27 by Molmil](/molmil-images/mine/4s27) | Crystal structure of Arabidopsis thaliana ThiC with bound aminoimidazole ribonucleotide, 5'-deoxyadenosine, L-methionine, Fe4S4 cluster and Fe | Descriptor: | 1,4-BUTANEDIOL, 5'-DEOXYADENOSINE, 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, ... | Authors: | Fenwick, M.K, Mehta, A.P, Zhang, Y, Abdelwahed, S, Begley, T.P, Ealick, S.E. | Deposit date: | 2015-01-19 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Non-canonical active site architecture of the radical SAM thiamin pyrimidine synthase. Nat Commun, 6
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6ODG
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![BU of 6odg by Molmil](/molmil-images/mine/6odg) | SVQIVY, Crystal Structure of a tau protein fragment | Descriptor: | Microtubule-associated protein tau | Authors: | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Seidler, P.M. | Deposit date: | 2019-03-26 | Release date: | 2019-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples. J.Biol.Chem., 294, 2019
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6H00
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![BU of 6h00 by Molmil](/molmil-images/mine/6h00) | Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Pyridoxine-5'-phosphate oxidase, ... | Authors: | Mackinnon, S, Wilson, M.P, Shrestha, L, Bezerra, G.A, Newman, J, Fox, N, Sorrell, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Clayton, P.T, Mills, P.B, Yue, W.W. | Deposit date: | 2018-07-05 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant To Be Published
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6OBV
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![BU of 6obv by Molmil](/molmil-images/mine/6obv) | Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases | Descriptor: | fluvirucin B1 DH domain from module 1 | Authors: | McAndrew, R.P, Barajas, J.F, Pereira, J.H, Keasling, J.D, Adams, P.D. | Deposit date: | 2019-03-21 | Release date: | 2019-06-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases. J Ind Microbiol Biotechnol., 46, 2019
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6CFJ
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![BU of 6cfj by Molmil](/molmil-images/mine/6cfj) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with histidyl-CAM and bound to mRNA and A-, P-, and E-site tRNAs at 2.8A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S. | Deposit date: | 2018-02-15 | Release date: | 2018-03-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome. J. Mol. Biol., 430, 2018
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8AXA
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![BU of 8axa by Molmil](/molmil-images/mine/8axa) | Cryo-EM structure of shCas12k-sgRNA-dsDNA ternary complex (type V-K CRISPR-associated transposon) | Descriptor: | Cas12k, DNA non-target strand, DNA target strand, ... | Authors: | Tenjo-Castano, F, Sofos, N, Stella, S, Fuglsang, A, Pape, T, Mesa, P, Stutzke, L.S, Temperini, P, Montoya, G. | Deposit date: | 2022-08-31 | Release date: | 2024-04-10 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Conformational landscape of the type V-K CRISPR-associated transposon integration assembly. Mol.Cell, 84, 2024
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6OJ1
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![BU of 6oj1 by Molmil](/molmil-images/mine/6oj1) | Crystal Structure of Aspergillus fumigatus Ega3 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bamford, N.C, Subramanian, A.S, Millan, C, Uson, I, Howell, P.L. | Deposit date: | 2019-04-10 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms. J.Biol.Chem., 294, 2019
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