2JLT
 
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6DIM
 | | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak | | 分子名称: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | 登録日 | 2018-05-23 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | 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
 | | HslUV complex | | 分子名称: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, ATP-dependent protease subunit HslV | | 著者 | Grant, R.A, Sauer, R.T, Schmitz, K.R, Baytshtok, V. | | 登録日 | 2016-04-21 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A Structurally Dynamic Region of the HslU Intermediate Domain Controls Protein Degradation and ATP Hydrolysis.
Structure, 24, 2016
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5JJJ
 | | Structure of the SRII/HtrII Complex in P64 space group ("U" shape) | | 分子名称: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | | 著者 | 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. | | 登録日 | 2016-04-24 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex.
Sci Rep, 7, 2017
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6GUH
 | | CDK2 in complex with AZD5438 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 2 | | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | 登録日 | 2018-06-19 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 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
 | | Crystal structure of human PI3K-gamma in complex with Compound 4 | | 分子名称: | 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 | | 著者 | Walker, N.P, Jeffrey, J.L. | | 登録日 | 2020-07-13 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
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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 | | 分子名称: | 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, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2018-06-10 | | 公開日 | 2018-11-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.791 Å) | | 主引用文献 | 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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8WZU
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5L2F
 | | High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D bound to doripenem | | 分子名称: | (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, ... | | 著者 | June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T. | | 登録日 | 2016-08-01 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | 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
 | | Crystal structure of SFTSV Gn and antibody SF1 | | 分子名称: | 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, ... | | 著者 | Chang, Z, Gao, F, Wu, Y. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 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
 | | Crystal structure for the complex of human carbonic anhydrase IV and methazolamide | | 分子名称: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | | 著者 | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | 登録日 | 2016-07-12 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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5KYT
 | | Structure of Photinus pyralis Luciferase red light emitting variant | | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, Luciferin 4-monooxygenase | | 著者 | Gulick, A.M. | | 登録日 | 2016-07-22 | | 公開日 | 2016-12-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | 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
 | | Crystal structure of SFTSV Gc and antibody | | 分子名称: | Ab-H, Ab-L, Glycoprotein C | | 著者 | Chang, Z, Gao, F, Wu, Y. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | 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
 | | Solution NMR structure of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1). Northeast Structural Genomics Consortium target HR41 | | 分子名称: | Ufm1-conjugating enzyme 1 | | 著者 | Liu, G, Eletsky, A, Atreya, H.S, Aramini, J.M, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2008-01-25 | | 公開日 | 2008-02-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 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
 | | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | | 分子名称: | 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, ... | | 著者 | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | | 登録日 | 2016-05-24 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | 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
 | | Crystal structure of the N-terminal region of the biotin acceptor domain of human propionyl-CoA carboxylase | | 分子名称: | PROPIONYL-COA CARBOXYLASE ALPHA CHAIN, MITOCHONDRIAL, TETRAETHYLENE GLYCOL | | 著者 | 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. | | 登録日 | 2008-08-30 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural impact of human and Escherichia coli biotin carboxyl carrier proteins on biotin attachment.
Biochemistry, 49, 2010
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7ZQX
 | | Human galectin-3c in complex with a galactose derivative | | 分子名称: | (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, ... | | 著者 | Zetterberg, F, Nilsson, U.J, Hakansson, M, Logan, D.T. | | 登録日 | 2022-05-03 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | 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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6GHF
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6GHB
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5L39
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6GKO
 | | Mouse thymidylate synthase cocrystallized with dUMP and soaked in phenolphthalein | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, ... | | 著者 | Maj, P, Wilk, P, Jarmula, A, Weiss, M.S, Rode, W. | | 登録日 | 2018-05-21 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | | 主引用文献 | Thymidylate synthase fragment screening
To Be Published
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5L9R
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8WCE
 | | Cryo-EM structure of a protein-RNA complex | | 分子名称: | MAGNESIUM ION, RNA (31-MER), RNA (66-MER), ... | | 著者 | Li, Z. | | 登録日 | 2023-09-11 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | | 主引用文献 | Molecular mechanism for target RNA recognition and cleavage of Cas13h.
Nucleic Acids Res., 52, 2024
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