7JMW
 
 | | Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with cross-neutralizing antibody COVA1-16 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ... | | 著者 | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | 登録日 | 2020-08-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Cross-Neutralization of a SARS-CoV-2 Antibody to a Functionally Conserved Site Is Mediated by Avidity.
Immunity, 53, 2020
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6GYZ
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6GMQ
 | | pVHL:EloB:EloC in complex with (4-(1H-pyrrol-1-yl)phenyl)methanol | | 分子名称: | (4-pyrrol-1-ylphenyl)methanol, ACETATE ION, Elongin-B, ... | | 著者 | Van Molle, I, Lucas, X, Ciulli, A. | | 登録日 | 2018-05-28 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.755 Å) | | 主引用文献 | Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
J. Med. Chem., 61, 2018
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7JJD
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7JJJ
 | | Structure of SARS-CoV-2 3Q-2P full-length dimers of spike trimers | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B. | | 登録日 | 2020-07-26 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
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6GMN
 | | pVHL:EloB:EloC in complex with methyl 4H-furo[3,2-b]pyrrole-5-carboxylate | | 分子名称: | ACETATE ION, Elongin-B, Elongin-C, ... | | 著者 | Van Molle, I, Lucas, X, Ciulli, A. | | 登録日 | 2018-05-27 | | 公開日 | 2018-08-08 | | 最終更新日 | 2018-09-05 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
J. Med. Chem., 61, 2018
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6GR7
 | | Crystal Structure Of Human Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T) | | 分子名称: | 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin | | 著者 | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | 登録日 | 2018-06-09 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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6GYF
 | | Crystal structure of NadR protein in complex with NR | | 分子名称: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, ... | | 著者 | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | | 登録日 | 2018-06-29 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and Functional Characterization of NadR fromLactococcus lactis.
Molecules, 25, 2020
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6GZH
 | | Crystal Structure of Human CDK9/cyclinT1 with A86 | | 分子名称: | Cyclin-T1, Cyclin-dependent kinase 9, GLYCEROL, ... | | 著者 | Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J. | | 登録日 | 2018-07-04 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | | 主引用文献 | Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models.
Cell, 175, 2018
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7KC6
 | | X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K | | 分子名称: | Integrin alpha-L, LOVASTATIN, MAGNESIUM ION | | 著者 | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | | 登録日 | 2020-10-05 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
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6GT2
 | | Reduced copper nitrite reductase from Achromobacter cycloclastes determined by serial femtosecond rotation crystallography | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION | | 著者 | Halsted, T.P, Yamashita, K, Gopalasingam, C.C, Shenoy, R.T, Hirata, K, Ago, H, Ueno, G, Eady, R.R, Antonyuk, S.V, Yamamoto, M, Hasnain, S.S. | | 登録日 | 2018-06-15 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
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8IYU
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6GWD
 | | Tubulin:iiH5 alphaRep complex | | 分子名称: | ALPHA-TUBULIN, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Gigant, B, Campanacci, V. | | 登録日 | 2018-06-22 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Selection and Characterization of Artificial Proteins Targeting the Tubulin alpha Subunit.
Structure, 27, 2019
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6GXA
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2 | | 分子名称: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6H4Z
 | | Crystal structure of human KDM5B in complex with compound 16a | | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | 著者 | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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8J3N
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7KCI
 | | DETERMINANTS OF REPRESSOR/OPERATOR RECOGNITION FROM THE STRUCTURE OF THE TRP OPERATOR BINDING SITE | | 分子名称: | Self-complementary deoxyoligonucleotide decamer d(CCACTAGTGG) | | 著者 | Shakked, Z, Guzikevich-Guerstein, G, Frolow, F, Rabinovich, D, Joachimiak, A, Sigler, P.B. | | 登録日 | 1994-09-12 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Determinants of repressor/operator recognition from the structure of the trp operator binding site.
Nature, 368, 1994
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6H5S
 | | Cryo-EM map of in vitro assembled Measles virus N into nucleocapsid-like particles (NCLPs) bound to viral genomic 5-prime RNA hexamers. | | 分子名称: | Nucleocapsid, RNA (5'-R(*AP*CP*CP*AP*GP*A)-3') | | 著者 | Desfosses, A, Milles, S, Ringkjobing Jensen, M, Guseva, S, Colletier, J.P, Maurin, D, Schoehn, G, Gutsche, I, Ruigrok, R, Blackledge, M. | | 登録日 | 2018-07-25 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Assembly and cryo-EM structures of RNA-specific measles virus nucleocapsids provide mechanistic insight into paramyxoviral replication.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6H50
 | | Crystal structure of human KDM5B in complex with compound 34a | | 分子名称: | 1,2-ETHANEDIOL, 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | 著者 | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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6GIX
 | | Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with Chlorophyll-b | | 分子名称: | CHLOROPHYLL B, Water-soluble chlorophyll protein | | 著者 | Palm, D.M, Agostini, A, Averesch, V, Girr, P, Werwie, M, Takahashi, S, Satoh, H, Jaenicke, E, Paulsen, H. | | 登録日 | 2018-05-15 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein.
Nat Plants, 4, 2018
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7KQP
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | | 分子名称: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-17 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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6GYW
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6GYY
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6GIG
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6GLC
 | | Structure of phospho-Parkin bound to phospho-ubiquitin | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | 著者 | Gladkova, C, Maslen, S.L, Skehel, J.M, Komander, D. | | 登録日 | 2018-05-23 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mechanism of parkin activation by PINK1.
Nature, 559, 2018
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