6XC9
 
 | | Immune receptor complex | | 分子名称: | 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, GLYCEROL, ... | | 著者 | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Tresoldi, M.C.E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | 登録日 | 2020-06-08 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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7P57
 | | VSG2 mutant structure lacking the calcium binding pocket | | 分子名称: | Variant surface glycoprotein MITAT 1.2, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | 登録日 | 2021-07-14 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.961 Å) | | 主引用文献 | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P5B
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 319 to alanine), single O-linked glycosylated at Ser317 | | 分子名称: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | 登録日 | 2021-07-14 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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7P5A
 | | Variant Surface Glycoprotein 3 (VSG3, MiTat1.3, VSG224) mutant (serine 317 to alanine), single O-linked glycosylated at Ser319 | | 分子名称: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N. | | 登録日 | 2021-07-14 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023
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6O8W
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6XCP
 | | Immune receptor complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide, ... | | 著者 | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | 登録日 | 2020-06-08 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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7S84
 | | Crystal structure of CDK2 liganded with compound TW8972 | | 分子名称: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | | 著者 | Sun, L, Schonbrunn, E. | | 登録日 | 2021-09-17 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
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8BZC
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7AF2
 | | Salmonella typhimurium neuraminidase mutant (D62G) | | 分子名称: | GLYCEROL, PHOSPHATE ION, Sialidase | | 著者 | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F. | | 登録日 | 2020-09-19 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.792 Å) | | 主引用文献 | Salmonella typhimurium neuraminidase mutant (D62G)
To Be Published
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4X7I
 | | Crystal Structure of BACE with amino thiazine inhibitor LY2886721 | | 分子名称: | Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | 著者 | Timm, D.E. | | 登録日 | 2014-12-09 | | 公開日 | 2014-12-24 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
J.Neurosci., 35, 2015
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8C41
 | | High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3'), ... | | 著者 | Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R. | | 登録日 | 2022-12-30 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | | 主引用文献 | The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin.
To Be Published
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7ARE
 | | DNA origami pointer object v2 | | 分子名称: | SCAFFOLD STRAND, STAPLE STRAND | | 著者 | Thomas, M, Feigl, E, Kohler, F, Kube, M, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | | 登録日 | 2020-10-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (7.4 Å) | | 主引用文献 | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
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4WU9
 | | Structure of cisPtNAP-NCP145 | | 分子名称: | DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ... | | 著者 | Chua, E.Y.D, Davey, G.E, Chin, C.F, Droge, P, Ang, W.H, Davey, C.A. | | 登録日 | 2014-10-31 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Stereochemical control of nucleosome targeting by platinum-intercalator antitumor agents.
Nucleic Acids Res., 43, 2015
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6S4O
 | | The crystal structure of glycogen phosphorylase in complex with 9 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-28 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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8HTB
 | | Staphylococcus aureus FtsZ 12-316 complexed with TXH9179 | | 分子名称: | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | | 著者 | Bryan, E, Ferrer-Gonzalez, E, Sagong, H.Y, Fujita, J, Mark, L, Kaul, M, LaVoie, E.J, Matsumura, H, Pilch, D.S. | | 登録日 | 2022-12-21 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural and Antibacterial Characterization of a New Benzamide FtsZ Inhibitor with Superior Bactericidal Activity and In Vivo Efficacy Against Multidrug-Resistant Staphylococcus aureus.
Acs Chem.Biol., 18, 2023
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7YWL
 | | Six DNA Helix Bundle nanopore - State 3 | | 分子名称: | DNA (50-MER) | | 著者 | Javed, A, Ahmad, K, Lanphere, C, Coveney, P, Howorka, S, Orlova, E.V. | | 登録日 | 2022-02-14 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-07-05 | | 実験手法 | ELECTRON MICROSCOPY (8 Å) | | 主引用文献 | Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
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6OOI
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6O8Y
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7B83
 | | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | | 分子名称: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-12-12 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6ES2
 | | Structure of CDX2-DNA(CAA) | | 分子名称: | DNA (5'-D(P*GP*GP*AP*GP*GP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 | | 著者 | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | | 登録日 | 2017-10-19 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
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6Y93
 | | Crystal structure of the DNA-binding domain of the Nucleoid Occlusion Factor (Noc) complexed to the Noc-binding site (NBS) | | 分子名称: | Noc Binding Site (NBS), Nucleoid occlusion protein | | 著者 | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Chan, E, Lo, R, Tan, X, Noy, A, Lawson, D.M, Le, T.B.K. | | 登録日 | 2020-03-06 | | 公開日 | 2020-08-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
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7AS5
 | | 126 helix bundle DNA nanostructure | | 分子名称: | SCAFFOLD STRAND, STAPLE STRAND | | 著者 | Kube, M, Kohler, F, Feigl, E, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | | 登録日 | 2020-10-27 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (9.8 Å) | | 主引用文献 | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
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6S4R
 | | The crystal structure of glycogen phosphorylase in complex with 11 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Papaioannou, O.S.E, Solovou, T.G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2019-06-28 | | 公開日 | 2020-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
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6US2
 | | MTH1 in complex with compound 5 | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | | 著者 | Newby, Z.E.R, Lansdon, E.B. | | 登録日 | 2019-10-24 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.80012655 Å) | | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
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7ART
 | | 48 helix bundle DNA origami brick | | 分子名称: | SCAFFOLD STRAND, STAPLE STRAND | | 著者 | Feigl, E, Kube, M, Kohler, F, Nagel-Yuksel, B, Willner, E.M, Funke, J.J, Gerling, T, Stommer, P, Honemann, M.N, Martin, T.G, Scheres, S.H.W, Dietz, H. | | 登録日 | 2020-10-26 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (10 Å) | | 主引用文献 | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution.
Nat Commun, 11, 2020
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