3JSG
 
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3JTU
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4PZV
 | | Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | | 分子名称: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | | 著者 | Shaw, G.X, Shi, G, Ji, X. | | 登録日 | 2014-03-31 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.704 Å) | | 主引用文献 | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
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6M39
 | | Cryo-EM structure of SADS-CoV spike | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Ouyang, S, Hongxin, G. | | 登録日 | 2020-03-03 | | 公開日 | 2020-08-26 | | 最終更新日 | 2020-11-11 | | 実験手法 | ELECTRON MICROSCOPY (3.55 Å) | | 主引用文献 | Cryo-electron Microscopy Structure of the Swine Acute Diarrhea Syndrome Coronavirus Spike Glycoprotein Provides Insights into Evolution of Unique Coronavirus Spike Proteins.
J.Virol., 94, 2020
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5C7M
 | | CRYSTAL STRUCTURE OF E3 LIGASE ITCH WITH A UB VARIANT | | 分子名称: | E3 ubiquitin-protein ligase Itchy homolog, Polyubiquitin-C | | 著者 | Walker, J.R, Hu, J, Dong, A, Wernimont, A, Zhang, W, Sidhu, S, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2015-06-24 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
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7KN3
 | | Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ... | | 著者 | Liu, H, Zhu, X, Wilson, I.A. | | 登録日 | 2020-11-04 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
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7KN4
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5C7J
 | | CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT | | 分子名称: | E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C | | 著者 | Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2015-06-24 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
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7MF1
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1 | | 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, 47D1 Fab heavy chain, ... | | 著者 | Yuan, M, Zhu, X, Wilson, I.A. | | 登録日 | 2021-04-08 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.092 Å) | | 主引用文献 | Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2.
Cell Rep, 35, 2021
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7CGW
 | | Complex structure of PD-1 and tislelizumab Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ... | | 著者 | Hong, Y, Feng, Y.C, Liu, Y. | | 登録日 | 2020-07-02 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
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5VFC
 | | WDR5 bound to inhibitor MM-589 | | 分子名称: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | | 著者 | Stuckey, J.A. | | 登録日 | 2017-04-07 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
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7D6H
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6LSD
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8IV5
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement) | | 分子名称: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IVA
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IV4
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.59 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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8IV8
 | | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement) | | 分子名称: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | | 著者 | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | | 登録日 | 2023-03-26 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (3.92 Å) | | 主引用文献 | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
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7DBG
 | | Yeast CRM1e (apo) in complex with Ran-RanBP1 | | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ... | | 著者 | Sun, Q, Lei, Y. | | 登録日 | 2020-10-20 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
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8IX3
 | | Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement) | | 分子名称: | BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11 | | 著者 | Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S. | | 登録日 | 2023-03-31 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
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3EPO
 | | Crystal structure of Caulobacter crescentus ThiC complexed with HMP-P | | 分子名称: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, Thiamine biosynthesis protein thiC | | 著者 | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | | 登録日 | 2008-09-29 | | 公開日 | 2008-10-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily
Nat.Chem.Biol., 4, 2008
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6LW2
 | | The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | | 分子名称: | 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2020-02-07 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
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1XTQ
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8K0D
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8K0C
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4DV9
 | | Crystal structure of BACE1 with its inhibitor | | 分子名称: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION | | 著者 | Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. | | 登録日 | 2012-02-23 | | 公開日 | 2013-01-16 | | 最終更新日 | 2021-09-15 | | 実験手法 | X-RAY DIFFRACTION (2.076 Å) | | 主引用文献 | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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