6Q74
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![BU of 6q74 by Molmil](/molmil-images/mine/6q74) | PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide | Authors: | Convery, M.A, Rowland, P, Down, K, Barton, N. | Deposit date: | 2018-12-12 | Release date: | 2018-12-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61, 2018
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8A12
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![BU of 8a12 by Molmil](/molmil-images/mine/8a12) | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2022-05-31 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun, 14, 2023
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8A9N
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![BU of 8a9n by Molmil](/molmil-images/mine/8a9n) | Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP | Descriptor: | 1,3-DIAMINOPROPANE, Acetyltransferase, COENZYME A, ... | Authors: | Garcia-Pino, A, Jurenas, D. | Deposit date: | 2022-06-28 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun, 14, 2023
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7ZN5
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![BU of 7zn5 by Molmil](/molmil-images/mine/7zn5) | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the closed conformation, C2 symmetry. | Descriptor: | DNA (48-MER), PLP-dependent aminotransferase family protein | Authors: | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | Deposit date: | 2022-04-20 | Release date: | 2023-07-05 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR. Nucleic Acids Res., 51, 2023
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6VJQ
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7ZLA
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![BU of 7zla by Molmil](/molmil-images/mine/7zla) | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the half-closed conformation | Descriptor: | DNA (48-MER), PLP-dependent aminotransferase family protein | Authors: | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Savino, C, Exertier, C, Bolognesi, M, Chaves Sanjuan, A. | Deposit date: | 2022-04-14 | Release date: | 2023-07-05 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.99 Å) | Cite: | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR. Nucleic Acids Res., 51, 2023
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7ZPA
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![BU of 7zpa by Molmil](/molmil-images/mine/7zpa) | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the closed conformation, C1 symmetry | Descriptor: | DNA (48-MER), PLP-dependent aminotransferase family protein | Authors: | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | Deposit date: | 2022-04-27 | Release date: | 2023-07-05 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR. Nucleic Acids Res., 51, 2023
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3ETC
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![BU of 3etc by Molmil](/molmil-images/mine/3etc) | 2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMP-binding protein, FORMYL GROUP, ... | Authors: | Shah, M.B, Gulick, A.M, Smith, K.S, Ingram-Smith, C. | Deposit date: | 2008-10-07 | Release date: | 2009-07-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1 A crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates. Proteins, 77, 2009
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5KXK
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![BU of 5kxk by Molmil](/molmil-images/mine/5kxk) | Hen Egg White Lysozyme at 100K, Data set 1 | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-20 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.198 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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3ES8
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![BU of 3es8 by Molmil](/molmil-images/mine/3es8) | Crystal structure of divergent enolase from Oceanobacillus Iheyensis complexed with Mg and L-malate. | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-10-04 | Release date: | 2008-10-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
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4RKF
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![BU of 4rkf by Molmil](/molmil-images/mine/4rkf) | Drosophila melanogaster Rab3 bound to GMPPNP | Descriptor: | MAGNESIUM ION, PENTAETHYLENE GLYCOL, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Lardong, J.A, Driller, J.H, Depner, H, Weise, C, Petzoldt, A, Wahl, M.C, Sigrist, S.J, Loll, B. | Deposit date: | 2014-10-13 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of Drosophila melanogaster Rab2 and Rab3 bound to GMPPNP. Acta Crystallogr F Struct Biol Commun, 71, 2015
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7ZJ5
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![BU of 7zj5 by Molmil](/molmil-images/mine/7zj5) | Unbound state of a brocolli-pepper aptamer FRET tile. | Descriptor: | POTASSIUM ION, brocolli-pepper aptamer | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | Deposit date: | 2022-04-08 | Release date: | 2023-04-19 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.55 Å) | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding To Be Published
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1TC3
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![BU of 1tc3 by Molmil](/molmil-images/mine/1tc3) | TRANSPOSASE TC3A1-65 FROM CAENORHABDITIS ELEGANS | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*GP*TP*CP*CP*TP*AP*TP*AP*GP*A P*AP*CP*TP*T)-3'), DNA (5'-D(*AP*GP*TP*TP*CP*TP*AP*TP*AP*GP*GP*AP*CP*CP*CP*CP*C P*CP*CP*T)-3'), PROTEIN (TC3 TRANSPOSASE) | Authors: | Van Pouderoyen, G, Ketting, R.F, Perrakis, A, Plasterk, R.H.A, Sixma, T.K. | Deposit date: | 1997-07-07 | Release date: | 1997-11-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of the specific DNA-binding domain of Tc3 transposase of C.elegans in complex with transposon DNA. EMBO J., 16, 1997
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3ES7
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![BU of 3es7 by Molmil](/molmil-images/mine/3es7) | Crystal structure of divergent enolase from Oceanobacillus Iheyensis complexed with Mg and L-malate. | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-10-04 | Release date: | 2008-10-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
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7ZM6
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![BU of 7zm6 by Molmil](/molmil-images/mine/7zm6) | Nariva virus receptor binding protein | Descriptor: | Attachment protein | Authors: | Stelfox, A.J, Rissanen, I, Rambo, R, Lee, B, Bowden, T.A. | Deposit date: | 2022-04-19 | Release date: | 2023-09-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal structure and solution state of the C-terminal head region of the narmovirus receptor binding protein. Mbio, 14, 2023
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2ILM
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2IM1
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3FIS
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![BU of 3fis by Molmil](/molmil-images/mine/3fis) | THE MOLECULAR STRUCTURE OF WILD-TYPE AND A MUTANT FIS PROTEIN: RELATIONSHIP BETWEEN MUTATIONAL CHANGES AND RECOMBINATIONAL ENHANCER FUNCTION OR DNA BINDING | Descriptor: | FACTOR FOR INVERSION STIMULATION (FIS) | Authors: | Yuan, H.S, Finkel, S.E, Feng, J-A, Johnson, R.C, Dickerson, R.E. | Deposit date: | 1991-08-12 | Release date: | 1993-10-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The molecular structure of wild-type and a mutant Fis protein: relationship between mutational changes and recombinational enhancer function or DNA binding. Proc.Natl.Acad.Sci.USA, 88, 1991
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3EXM
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![BU of 3exm by Molmil](/molmil-images/mine/3exm) | Crystal structure of the phosphatase SC4828 with the non-hydrolyzable nucleotide GPCP | Descriptor: | CALCIUM ION, GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER, ... | Authors: | Singer, A.U, Xu, X, Zheng, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-10-16 | Release date: | 2008-12-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and mechanism of a new family of prokaryotic nucleoside diphosphatases. To be Published
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2IM3
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2J90
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![BU of 2j90 by Molmil](/molmil-images/mine/2j90) | Crystal structure of human ZIP kinase in complex with a tetracyclic pyridone inhibitor (Pyridone 6) | Descriptor: | 1,2-ETHANEDIOL, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, CHLORIDE ION, ... | Authors: | Turnbull, A.P, Berridge, G, Fedorov, O, Pike, A.C.W, Savitsky, P, Eswaran, J, Papagrigoriou, E, Ugochukwa, E, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2006-10-31 | Release date: | 2006-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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1TKZ
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![BU of 1tkz by Molmil](/molmil-images/mine/1tkz) | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW429576 | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ... | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2004-06-09 | Release date: | 2004-12-07 | Last modified: | 2020-01-15 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1. J.Med.Chem., 47, 2004
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1TF1
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![BU of 1tf1 by Molmil](/molmil-images/mine/1tf1) | Crystal Structure of the E. coli Glyoxylate Regulatory Protein Ligand Binding Domain | Descriptor: | Negative regulator of allantoin and glyoxylate utilization operons | Authors: | Walker, J.R, Skarina, T, Kudrytska, M, Joachimiak, A, Arrowsmith, C, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-05-26 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and biochemical study of effector molecule recognition by the E.coli glyoxylate and allantoin utilization regulatory protein AllR. J.Mol.Biol., 358, 2006
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5K4H
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![BU of 5k4h by Molmil](/molmil-images/mine/5k4h) | Wolinella succinogenes L-asparaginase S121 + L-Glutamic acid | Descriptor: | GLUTAMIC ACID, L-asparaginase | Authors: | Nguyen, H.A, Lave, A. | Deposit date: | 2016-05-20 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity. Sci Rep, 7, 2017
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4QVI
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![BU of 4qvi by Molmil](/molmil-images/mine/4qvi) | Crystal structure of mutant ribosomal protein M218L TthL1 in complex with 80nt 23S RNA from Thermus thermophilus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 50S ribosomal protein L1, ACETATE ION, ... | Authors: | Gabdulkhakov, A.G, Nevskaya, N.A, NIkonov, S.V. | Deposit date: | 2014-07-15 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions. Acta Crystallogr.,Sect.D, 71, 2015
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