5N6U
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5H2K
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![BU of 5h2k by Molmil](/molmil-images/mine/5h2k) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 2 us after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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7BWL
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![BU of 7bwl by Molmil](/molmil-images/mine/7bwl) | Structure of antibiotic sequester from Pseudomonas aerurinosa | Descriptor: | UPF0312 protein PA0423, Ubiquinone-8 | Authors: | Hong, M. | Deposit date: | 2020-04-14 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the Pseudomonas aeruginosa PA0423 protein and its functional implication in antibiotic sequestration. Biochem.Biophys.Res.Commun., 528, 2020
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5NA0
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![BU of 5na0 by Molmil](/molmil-images/mine/5na0) | TTK kinase domain in complex with a PEG-linked pyrimido-indolizine | Descriptor: | Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-27 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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5H3S
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![BU of 5h3s by Molmil](/molmil-images/mine/5h3s) | apo form of GEMIN5-WD | Descriptor: | GLYCEROL, Gem-associated protein 5 | Authors: | Bharath, S.R, Tang, X, Song, H. | Deposit date: | 2016-10-27 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for specific recognition of pre-snRNA by Gemin5 Cell Res., 26, 2016
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6HQ2
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![BU of 6hq2 by Molmil](/molmil-images/mine/6hq2) | Structure of EAL Enzyme Bd1971 - apo form | Descriptor: | EAL Enzyme Bd1971 | Authors: | Lovering, A.L, Cadby, I.T. | Deposit date: | 2018-09-24 | Release date: | 2019-07-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase. Embo J., 38, 2019
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5GT7
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![BU of 5gt7 by Molmil](/molmil-images/mine/5gt7) | Crystal Structure of Arg-bound CASTOR1 | Descriptor: | ARGININE, GATS-like protein 3, MALONATE ION | Authors: | Guo, L, Deng, D. | Deposit date: | 2016-08-18 | Release date: | 2017-08-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.048 Å) | Cite: | Crystal structures of arginine sensor CASTOR1 in arginine-bound and ligand free states Biochem. Biophys. Res. Commun., 508, 2019
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4YUB
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4YV4
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7BVZ
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![BU of 7bvz by Molmil](/molmil-images/mine/7bvz) | Crystal structure of MreB5 of Spiroplasma citri bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell shape determining protein MreB, MAGNESIUM ION, ... | Authors: | Pande, V, Bagde, S.R, Gayathri, P. | Deposit date: | 2020-04-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | MreB5 Is a Determinant of Rod-to-Helical Transition in the Cell-Wall-less Bacterium Spiroplasma. Curr.Biol., 30, 2020
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6HVN
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![BU of 6hvn by Molmil](/molmil-images/mine/6hvn) | CdaA-APO Y187A Mutant | Descriptor: | CHLORIDE ION, Diadenylate cyclase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Heidemann, J.L, Neumann, P, Ficner, R. | Deposit date: | 2018-10-11 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.234 Å) | Cite: | Crystal structures of the c-di-AMP-synthesizing enzyme CdaA. J.Biol.Chem., 294, 2019
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4YWR
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4YMW
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![BU of 4ymw by Molmil](/molmil-images/mine/4ymw) | Crystal structure of an amino acid ABC transporter with histidines | Descriptor: | ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ... | Authors: | Ge, J, Yu, J, Yang, M. | Deposit date: | 2015-03-07 | Release date: | 2015-04-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Structural basis for substrate specificity of an amino acid ABC transporter Proc.Natl.Acad.Sci.USA, 112, 2015
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7BR3
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![BU of 7br3 by Molmil](/molmil-images/mine/7br3) | Crystal structure of the protein 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ... | Authors: | Cheng, L, Shao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode. Nat Commun, 11, 2020
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6I01
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![BU of 6i01 by Molmil](/molmil-images/mine/6i01) | Structure of human D-glucuronyl C5 epimerase in complex with substrate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Debarnot, C, Monneau, Y.R, Roig-Zamboni, V, Le Narvor, C, Goulet, A, Fadel, F, Vives, R.R, Bonnaffe, D, Lortat-Jacob, H, Bourne, Y. | Deposit date: | 2018-10-24 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6TBB
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![BU of 6tbb by Molmil](/molmil-images/mine/6tbb) | Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin A (batumin) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH], Kalimantacin, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Fage, C.D, Masschelein, J. | Deposit date: | 2019-11-01 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI. Angew.Chem.Int.Ed.Engl., 59, 2020
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5H13
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![BU of 5h13 by Molmil](/molmil-images/mine/5h13) | EED in complex with PRC2 allosteric inhibitor EED396 | Descriptor: | 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile, GLYCEROL, PRASEODYMIUM ION, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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4YD9
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![BU of 4yd9 by Molmil](/molmil-images/mine/4yd9) | Crystal structure of squid hemocyanin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CU2-O2 CLUSTER, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Matsuno, A, Gai, Z, Kato, K, Tanaka, Y, Yao, M. | Deposit date: | 2015-02-21 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of the 3.8-MDa Respiratory Supermolecule Hemocyanin at 3.0 angstrom Resolution Structure, 23, 2015
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7BY6
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![BU of 7by6 by Molmil](/molmil-images/mine/7by6) | Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389 | Descriptor: | (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ... | Authors: | Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S. | Deposit date: | 2020-04-21 | Release date: | 2020-11-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.997 Å) | Cite: | Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines. Nat Commun, 12, 2021
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5NJE
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![BU of 5nje by Molmil](/molmil-images/mine/5nje) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (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: | 2017-03-28 | Release date: | 2018-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.978 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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7BYY
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![BU of 7byy by Molmil](/molmil-images/mine/7byy) | Crystal structure of bacterial toxin | Descriptor: | Acetyltransferase | Authors: | Zhang, C, Yashiro, Y, Tomita, K. | Deposit date: | 2020-04-25 | Release date: | 2020-06-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Substrate specificities of Escherichia coli ItaT that acetylates aminoacyl-tRNAs. Nucleic Acids Res., 48, 2020
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6TE6
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![BU of 6te6 by Molmil](/molmil-images/mine/6te6) | Crystal structure of Dot1L in complex with an inhibitor (compound 3). | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, ~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine | Authors: | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | Deposit date: | 2019-11-11 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse. Acs Med.Chem.Lett., 10, 2019
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5H2I
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![BU of 5h2i by Molmil](/molmil-images/mine/5h2i) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 110 ns after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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5H4B
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![BU of 5h4b by Molmil](/molmil-images/mine/5h4b) | Crystal structure of Cbln4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-4 | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | Deposit date: | 2016-10-31 | Release date: | 2017-09-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions. Cell Rep, 20, 2017
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5N47
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