2JLT
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![BU of 2jlt by Molmil](/molmil-images/mine/2jlt) | Crystal structure of an RNA kissing complex | Descriptor: | R06, TAR | Authors: | DiPrimo, C, Fribourg, S. | Deposit date: | 2008-09-15 | Release date: | 2009-08-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Exploring Tar-RNA Aptamer Loop-Loop Interaction by X-Ray Crystallography, Uv Spectroscopy and Surface Plasmon Resonance. Nucleic Acids Res., 36, 2008
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6DIM
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![BU of 6dim by Molmil](/molmil-images/mine/6dim) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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5JI3
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![BU of 5ji3 by Molmil](/molmil-images/mine/5ji3) | HslUV complex | Descriptor: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV | Authors: | Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V. | Deposit date: | 2016-04-21 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis. Structure, 24, 2016
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5JJJ
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![BU of 5jjj by Molmil](/molmil-images/mine/5jjj) | Structure of the SRII/HtrII Complex in P64 space group ("U" shape) | Descriptor: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | Authors: | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | Deposit date: | 2016-04-24 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex. Sci Rep, 7, 2017
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6GUH
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![BU of 6guh by Molmil](/molmil-images/mine/6guh) | CDK2 in complex with AZD5438 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6XRM
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![BU of 6xrm by Molmil](/molmil-images/mine/6xrm) | Crystal structure of human PI3K-gamma in complex with Compound 4 | Descriptor: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
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6DQB
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![BU of 6dqb by Molmil](/molmil-images/mine/6dqb) | LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | Descriptor: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6XV5
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![BU of 6xv5 by Molmil](/molmil-images/mine/6xv5) | |
8WZU
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![BU of 8wzu by Molmil](/molmil-images/mine/8wzu) | |
5L2F
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![BU of 5l2f by Molmil](/molmil-images/mine/5l2f) | High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D bound to doripenem | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ACETATE ION, Beta-lactamase, ... | Authors: | June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T. | Deposit date: | 2016-08-01 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity. Protein Sci., 25, 2016
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8WSN
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![BU of 8wsn by Molmil](/molmil-images/mine/8wsn) | Crystal structure of SFTSV Gn and antibody SF1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab1-H, ... | Authors: | Chang, Z, Gao, F, Wu, Y. | Deposit date: | 2023-10-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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5KU6
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![BU of 5ku6 by Molmil](/molmil-images/mine/5ku6) | Crystal structure for the complex of human carbonic anhydrase IV and methazolamide | Descriptor: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | Deposit date: | 2016-07-12 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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5KYT
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![BU of 5kyt by Molmil](/molmil-images/mine/5kyt) | Structure of Photinus pyralis Luciferase red light emitting variant | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Luciferin 4-monooxygenase | Authors: | Gulick, A.M. | Deposit date: | 2016-07-22 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Cloning of the Orange Light-Producing Luciferase from Photinus scintillans-A New Proposal on how Bioluminescence Color is Determined. Photochem. Photobiol., 93, 2017
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8WSU
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![BU of 8wsu by Molmil](/molmil-images/mine/8wsu) | Crystal structure of SFTSV Gc and antibody | Descriptor: | Ab-H, Ab-L, Glycoprotein C | Authors: | Chang, Z, Gao, F, Wu, Y. | Deposit date: | 2023-10-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Bispecific antibodies targeting two glycoproteins on SFTSV exhibit synergistic neutralization and protection in a mouse model. Proc.Natl.Acad.Sci.USA, 121, 2024
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2K07
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![BU of 2k07 by Molmil](/molmil-images/mine/2k07) | Solution NMR structure of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1). Northeast Structural Genomics Consortium target HR41 | Descriptor: | Ufm1-conjugating enzyme 1 | Authors: | Liu, G, Eletsky, A, Atreya, H.S, Aramini, J.M, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-01-25 | Release date: | 2008-02-19 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR and X-RAY structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquination pathway. J.STRUCT.FUNCT.GENOM., 10, 2009
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5L3O
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![BU of 5l3o by Molmil](/molmil-images/mine/5l3o) | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... | Authors: | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | Deposit date: | 2016-05-24 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
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2JKU
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![BU of 2jku by Molmil](/molmil-images/mine/2jku) | Crystal structure of the N-terminal region of the biotin acceptor domain of human propionyl-CoA carboxylase | Descriptor: | PROPIONYL-COA CARBOXYLASE ALPHA CHAIN, MITOCHONDRIAL, TETRAETHYLENE GLYCOL | Authors: | Healy, S, Yue, W.W, Kochan, G, Pilka, E.S, Murray, J.W, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Gravel, R.A, Oppermann, U. | Deposit date: | 2008-08-30 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural impact of human and Escherichia coli biotin carboxyl carrier proteins on biotin attachment. Biochemistry, 49, 2010
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7ZQX
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![BU of 7zqx by Molmil](/molmil-images/mine/7zqx) | Human galectin-3c in complex with a galactose derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, GLYCEROL, ... | Authors: | Zetterberg, F, Nilsson, U.J, Hakansson, M, Logan, D.T. | Deposit date: | 2022-05-03 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Discovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease. J.Med.Chem., 65, 2022
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7ZRY
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![BU of 7zry by Molmil](/molmil-images/mine/7zry) | |
6GHF
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![BU of 6ghf by Molmil](/molmil-images/mine/6ghf) | Crystal structure of a GST variant | Descriptor: | PvGmGSTUG | Authors: | Papageorgiou, A.C, Chronopoulou, E.G, Labrou, N.E. | Deposit date: | 2018-05-07 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.52 Å) | Cite: | Expanding the Plant GSTome Through Directed Evolution: DNA Shuffling for the Generation of New Synthetic Enzymes With Engineered Catalytic and Binding Properties. Front Plant Sci, 9, 2018
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6GHB
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![BU of 6ghb by Molmil](/molmil-images/mine/6ghb) | |
5L39
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![BU of 5l39 by Molmil](/molmil-images/mine/5l39) | |
6GKO
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![BU of 6gko by Molmil](/molmil-images/mine/6gko) | Mouse thymidylate synthase cocrystallized with dUMP and soaked in phenolphthalein | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, ... | Authors: | Maj, P, Wilk, P, Jarmula, A, Weiss, M.S, Rode, W. | Deposit date: | 2018-05-21 | Release date: | 2019-06-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | Thymidylate synthase fragment screening To Be Published
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5L9R
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![BU of 5l9r by Molmil](/molmil-images/mine/5l9r) | |
8WCE
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![BU of 8wce by Molmil](/molmil-images/mine/8wce) | Cryo-EM structure of a protein-RNA complex | Descriptor: | MAGNESIUM ION, RNA (31-MER), RNA (66-MER), ... | Authors: | Li, Z. | Deposit date: | 2023-09-11 | Release date: | 2024-05-22 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Molecular mechanism for target RNA recognition and cleavage of Cas13h. Nucleic Acids Res., 52, 2024
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