6MXS
| Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M] | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | 著者 | Shi, R, Picard, M.-E, Manenda, M.S. | 登録日 | 2018-10-31 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Binding symmetry and surface flexibility mediate antibody self-association. Mabs, 11, 2019
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6N0N
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ574 | 分子名称: | 1,2-ETHANEDIOL, 4-methylbenzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | 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 | 2018-11-07 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.477 Å) | 主引用文献 | Crystal structure of Tdp1 catalytic domain To Be Published
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7OTD
| Oxytocin NMR solution structure | 分子名称: | AMINO GROUP, COPPER (II) ION, UNK-TYR-ILE-GLN-ASN-CYS-PRO-LEU-GLY | 著者 | Shalev, D.E, Alshanski, I, Yitzchaik, S, Hurevich, M. | 登録日 | 2021-06-10 | 公開日 | 2021-10-13 | 実験手法 | SOLUTION NMR | 主引用文献 | Determining the structure and binding mechanism of oxytocin-Cu 2+ complex using paramagnetic relaxation enhancement NMR analysis. J.Biol.Inorg.Chem., 26, 2021
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7P9T
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7PB5
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6Q3Z
| Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | 分子名称: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-04 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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7PBA
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6Q4J
| CDK2 in complex with FragLite34 | 分子名称: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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7PA4
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7PBB
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5NHF
| Human Erk2 with an Erk1/2 inhibitor | 分子名称: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | 登録日 | 2017-03-21 | 公開日 | 2017-04-19 | 最終更新日 | 2017-05-10 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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7P9N
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7P9R
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7PBY
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8QPP
| Bacillus subtilis MutS2-collided disome complex (stalled 70S) | 分子名称: | 16S rRNA (1533-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Park, E, Mackens-Kiani, T, Berhane, R, Esser, H, Erdenebat, C, Burroughs, A.M, Berninghausen, O, Aravind, L, Beckmann, R, Green, R, Buskirk, A.R. | 登録日 | 2023-10-02 | 公開日 | 2023-12-27 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | B. subtilis MutS2 splits stalled ribosomes into subunits without mRNA cleavage. Embo J., 43, 2024
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7U5P
| CRYSTAL STRUCTURE OF THE ACTIVIN RECEPTOR TYPE-2A LIGAND BINDING DOMAIN IN COMPLEX WITH ACTIVIN-A | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2A, Inhibin beta A chain | 著者 | Chu, K.Y, Malik, A, Thamilselvan, V, Martinez-Hackert, E. | 登録日 | 2022-03-02 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | 主引用文献 | Type II BMP and activin receptors BMPR2 and ACVR2A share a conserved mode of growth factor recognition. J.Biol.Chem., 298, 2022
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6PWN
| MscS Nanodisc with N-terminal His-Tag | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, HEXADECANE, Small-conductance mechanosensitive channel | 著者 | Reddy, B.G, Perozo, E. | 登録日 | 2019-07-23 | 公開日 | 2020-01-08 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Molecular basis of force-from-lipids gating in the mechanosensitive channel MscS. Elife, 8, 2019
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4YB7
| Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni in complex with ATP | 分子名称: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | 著者 | Mittelstaedt, G, Moggre, G.-J, Parker, E.J. | 登録日 | 2015-02-18 | 公開日 | 2016-03-09 | 最終更新日 | 2018-09-05 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Campylobacter jejuni adenosine triphosphate phosphoribosyltransferase is an active hexamer that is allosterically controlled by the twisting of a regulatory tail. Protein Sci., 25, 2016
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7OQD
| A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20) | 分子名称: | 3-O-sulfo-beta-D-galactopyranose, Arylsulfatase, CALCIUM ION | 著者 | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | 登録日 | 2021-06-03 | 公開日 | 2021-10-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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1C50
| IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF A NOVEL ALLOSTERIC BINDING SITE OF GLYCOGEN PHOSPHORYLASE B | 分子名称: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | 著者 | Oikonomakos, N.G, Skamnaki, V.T, Tsitsanou, K.E, Gavalas, N.G, Johnson, L.N. | 登録日 | 1999-12-15 | 公開日 | 1999-12-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A new allosteric site in glycogen phosphorylase b as a target for drug interactions. Structure Fold.Des., 8, 2000
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8DC5
| CCHFV GP38 Hoti/Kosovo | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, IODIDE ION | 著者 | Durie, I.A, Bergeron, E, Pegan, S.D, McGuire, J. | 登録日 | 2022-06-15 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | 主引用文献 | Structural characterization of protective non-neutralizing antibodies targeting Crimean-Congo hemorrhagic fever virus. Nat Commun, 13, 2022
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8FC5
| Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and azithromycin at 2.65A resolution | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | 著者 | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | 登録日 | 2022-12-01 | 公開日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A. Nat Commun, 14, 2023
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6THM
| Linalool Dehydratase Isomerase M125A mutant | 分子名称: | 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI, MALONATE ION | 著者 | Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G. | 登録日 | 2019-11-20 | 公開日 | 2020-10-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms Acs Catalysis, 2020
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8FC4
| Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and erythromycin at 2.45A resolution | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | 著者 | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | 登録日 | 2022-12-01 | 公開日 | 2023-07-26 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A. Nat Commun, 14, 2023
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7P39
| 4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 complexed with acarbose | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, Dextransucrase, ... | 著者 | Pijning, T, te Poele, E, Gangoiti, J, Boerner, T, Dijkhuizen, L. | 登録日 | 2021-07-07 | 公開日 | 2021-11-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Insights into Broad-Specificity Starch Modification from the Crystal Structure of Limosilactobacillus Reuteri NCC 2613 4,6-alpha-Glucanotransferase GtfB. J.Agric.Food Chem., 69, 2021
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