7A8P
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![BU of 7a8p by Molmil](/molmil-images/mine/7a8p) | Structure of human mitochondrial RNA polymerase in complex with IMT inhibitor. | Descriptor: | (3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid, DNA-directed RNA polymerase, mitochondrial | Authors: | Hillen, H.S, Bonekamp, N, Peter, B, Felser, A, Bergbrede, T, Choidas, A, Horn, M, Unger, A, di Lucrezia, R, Atanassov, I, Li, X, Koch, U, Menninger, S, Boros, J, Habenberger, P, Giavalisco, P, Cramer, P, Denzel, M, Nussbaumer, P, Klebl, B, Falkenberg, M, Gustafsson, C.M, Larsson, N.G. | Deposit date: | 2020-08-30 | Release date: | 2020-12-30 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Small-molecule inhibitors of human mitochondrial DNA transcription. Nature, 588, 2020
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6HIP
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![BU of 6hip by Molmil](/molmil-images/mine/6hip) | Structure of SPF45 UHM bound to HIV-1 Rev ULM | Descriptor: | HIV-1 Rev (41-49), SODIUM ION, Splicing factor 45, ... | Authors: | Pabis, M, Corsini, L, Sattler, M. | Deposit date: | 2018-08-30 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Modulation of HIV-1 gene expression by binding of a ULM motif in the Rev protein to UHM-containing splicing factors. Nucleic Acids Res., 47, 2019
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5H7V
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1I16
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![BU of 1i16 by Molmil](/molmil-images/mine/1i16) | STRUCTURE OF INTERLEUKIN 16: IMPLICATIONS FOR FUNCTION, NMR, 20 STRUCTURES | Descriptor: | INTERLEUKIN 16 | Authors: | Muehlhahn, P, Zweckstetter, M, Georgescu, J, Ciosto, C, Renner, C, Lanzendoerfer, M, Lang, K, Ambrosius, D, Baier, M, Kurth, R, Holak, T.A. | Deposit date: | 1998-05-20 | Release date: | 1999-05-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of interleukin 16 resembles a PDZ domain with an occluded peptide binding site. Nat.Struct.Biol., 5, 1998
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5NOR
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![BU of 5nor by Molmil](/molmil-images/mine/5nor) | Structure of cyclophilin A in complex with 3-methylpyridin-2-amine | Descriptor: | 3-methylpyridin-2-amine, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NEI
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![BU of 5nei by Molmil](/molmil-images/mine/5nei) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | Descriptor: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-03-10 | Release date: | 2018-02-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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6HR2
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![BU of 6hr2 by Molmil](/molmil-images/mine/6hr2) | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | Deposit date: | 2018-09-26 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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5NOY
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![BU of 5noy by Molmil](/molmil-images/mine/5noy) | Structure of cyclophilin A in complex with 3,4-diaminobenzamide | Descriptor: | 3,4-bis(azanyl)benzamide, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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1XDF
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![BU of 1xdf by Molmil](/molmil-images/mine/1xdf) | Crystal structure of pathogenesis-related protein LlPR-10.2A from yellow lupine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PR10.2A, SODIUM ION | Authors: | Pasternak, O, Biesiadka, J, Dolot, R, Handschuh, L, Bujacz, G, Sikorski, M.M, Jaskolski, M. | Deposit date: | 2004-09-06 | Release date: | 2005-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a yellow lupin pathogenesis-related PR-10 protein belonging to a novel subclass. Acta Crystallogr.,Sect.D, 61, 2005
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5NQ7
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![BU of 5nq7 by Molmil](/molmil-images/mine/5nq7) | Crystal structure of laccases from Pycnoporus sanguineus, izoform I | Descriptor: | COPPER (II) ION, Laccase, PEROXIDE ION, ... | Authors: | Orlikowska, M, de J.Rostro-Alanis, M, Bujacz, A, Hernandez-Luna, C, Rubio, R, Parra, R, Bujacz, G. | Deposit date: | 2017-04-19 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural studies of two thermostable laccases from the white-rot fungus Pycnoporus sanguineus. Int. J. Biol. Macromol., 107, 2018
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5NQD
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![BU of 5nqd by Molmil](/molmil-images/mine/5nqd) | Arsenite oxidase AioAB from Rhizobium sp. str. NT-26 mutant AioBF108A | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Santos-Silva, T, Romao, M, Vieira, M, Marques, A.T. | Deposit date: | 2017-04-20 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Arsenite oxidase AioAB from Rhizobium sp. str. NT-26 mutant AioBF108A To Be Published
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5NDJ
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![BU of 5ndj by Molmil](/molmil-images/mine/5ndj) | Crystal structure of aminoglycoside TC007 in complex with 70S ribosome from Thermus thermophilus, three tRNAs and mRNA (soaking) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | Deposit date: | 2017-03-08 | Release date: | 2018-05-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6FTE
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![BU of 6fte by Molmil](/molmil-images/mine/6fte) | Crystal structure of an (R)-selective amine transaminase from Exophiala xenobiotica | Descriptor: | ACETATE ION, Amine transaminase (fold IV), GLYCEROL, ... | Authors: | Telzerow, A, Hakansson, M, Schurrmann, M, Schwab, H, Steiner, K. | Deposit date: | 2018-02-21 | Release date: | 2019-01-09 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Amine Transaminase from Exophiala xenobiotica - Crystal Structure and Engineering of a Fold IV Transaminase that Naturally Converts Biaryl Ketones Acs Catalysis, 2018
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5NDG
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![BU of 5ndg by Molmil](/molmil-images/mine/5ndg) | Crystal structure of geneticin (G418) bound to the yeast 80S ribosome | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G. | Deposit date: | 2017-03-08 | Release date: | 2017-12-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Aminoglycoside interactions and impacts on the eukaryotic ribosome. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7B32
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![BU of 7b32 by Molmil](/molmil-images/mine/7b32) | MST3 in complex with MRIA7 | Descriptor: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl)amino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-28 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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5NMM
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![BU of 5nmm by Molmil](/molmil-images/mine/5nmm) | The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene. | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-04-06 | Release date: | 2018-02-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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6FMT
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![BU of 6fmt by Molmil](/molmil-images/mine/6fmt) | IMISX-EP of Hg-BacA Soaking SAD | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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1X9R
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![BU of 1x9r by Molmil](/molmil-images/mine/1x9r) | Umecyanin from Horse Raddish- Crystal Structure of the oxidised form | Descriptor: | COPPER (II) ION, Umecyanin | Authors: | Koch, M, Velarde, M, Harrison, M.D, Echt, S, Fischer, M, Messerschmidt, A, Dennison, C. | Deposit date: | 2004-08-24 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Oxidized and Reduced Stellacyanin from Horseradish Roots J.Am.Chem.Soc., 127, 2005
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5HKM
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![BU of 5hkm by Molmil](/molmil-images/mine/5hkm) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine, SULFATE ION | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | Deposit date: | 2016-01-14 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5NOZ
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![BU of 5noz by Molmil](/molmil-images/mine/5noz) | Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide | Descriptor: | 3,4-bis(azanyl)benzohydrazide, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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6G2D
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![BU of 6g2d by Molmil](/molmil-images/mine/6g2d) | Citrate-induced acetyl-CoA carboxylase (ACC-Cit) filament at 5.4 A resolution | Descriptor: | Acetyl-CoA carboxylase 1 | Authors: | Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. | Deposit date: | 2018-03-23 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
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6QFY
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![BU of 6qfy by Molmil](/molmil-images/mine/6qfy) | CRYSTAL STRUCTURE OF PORCINE HEMAGGLUTINATING ENCEPHALOMYELITIS VIRUS SPIKE PROTEIN LECTIN DOMAIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Huizinga, E.G, Bakkers, M, Lang, Y. | Deposit date: | 2019-01-10 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Human coronaviruses OC43 and HKU1 bind to 9-O-acetylated sialic acids via a conserved receptor-binding site in spike protein domain A. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7AX9
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![BU of 7ax9 by Molmil](/molmil-images/mine/7ax9) | Crystal structure of the hPXR-LBD in complex with cis-chlordane | Descriptor: | (+)cis-chlordane, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Granell, M, Delfosse, V, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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5M3F
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![BU of 5m3f by Molmil](/molmil-images/mine/5m3f) | Yeast RNA polymerase I elongation complex at 3.8A | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Neyer, S, Kunz, M, Geiss, C, Hantsche, M, Hodirnau, V.-V, Seybert, A, Engel, C, Scheffer, M.P, Cramer, P, Frangakis, A.S. | Deposit date: | 2016-10-14 | Release date: | 2016-11-23 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of RNA polymerase I transcribing ribosomal DNA genes. Nature, 540, 2016
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6FUV
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![BU of 6fuv by Molmil](/molmil-images/mine/6fuv) | Structure of a manno-oligosaccharide specific solute binding protein, BlMnBP2 from Bifidobacterium animalis subsp. lactis ATCC 27673 in complex with mannotriose | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ACETATE ION, Solute Binding Protein, ... | Authors: | Ejby, M, Abou Hachem, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-02-27 | Release date: | 2019-03-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles. Mol.Microbiol., 112, 2019
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