3M6F
| CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID | 分子名称: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION | 著者 | Sheriff, S. | 登録日 | 2010-03-15 | 公開日 | 2010-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J.Med.Chem., 53, 2010
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6XDG
| Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of two neutralizing antibodies | 分子名称: | REGN10933 antibody Fab fragment heavy chain, REGN10933 antibody Fab fragment light chain, REGN10987 antibody Fab fragment heavy chain, ... | 著者 | Franklin, M.C, Saotome, K, Romero Hernandez, A, Zhou, Y. | 登録日 | 2020-06-10 | 公開日 | 2020-06-24 | 最終更新日 | 2021-01-27 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Studies in humanized mice and convalescent humans yield a SARS-CoV-2 antibody cocktail. Science, 369, 2020
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8J2W
| Saccharothrix syringae photocobilins protein, dark state | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 5'-DEOXYADENOSINE, BILIVERDINE IX ALPHA, ... | 著者 | Zhang, S, Poddar, H, Levy, W.C, Leys, D. | 登録日 | 2023-04-15 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Photocobilins integrate B12 and bilin photochemistry for enzyme control. Nat Commun, 15, 2024
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8J2Y
| Acidimicrobiaceae bacterium photocobilins protein, dark state | 分子名称: | 5'-DEOXYADENOSINE, COBALAMIN, DI(HYDROXYETHYL)ETHER, ... | 著者 | Zhang, S, Poddar, H, Levy, W.C, Leys, D. | 登録日 | 2023-04-15 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Photocobilins integrate B12 and bilin photochemistry for enzyme control. Nat Commun, 15, 2024
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8J2X
| Saccharothrix syringae photocobilins protein, light state | 分子名称: | BILIVERDINE IX ALPHA, COBALAMIN, Cobalamin-binding protein, ... | 著者 | Zhang, S, Poddar, H, Levy, C, Leys, D. | 登録日 | 2023-04-15 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Photocobilins integrate B12 and bilin photochemistry for enzyme control. Nat Commun, 15, 2024
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6WJL
| Crystal structure of Glypican-2 core protein in complex with D3 Fab | 分子名称: | D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ... | 著者 | Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P. | 登録日 | 2020-04-14 | 公開日 | 2021-04-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope. Cell Rep Med, 2, 2021
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4RNA
| Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus | 分子名称: | PHOSPHATE ION, ZINC ION, papain-like protease | 著者 | Lei, H, Santarsiero, B.D, Lee, H, Johnson, M.E. | 登録日 | 2014-10-23 | 公開日 | 2015-03-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | 主引用文献 | Inhibitor Recognition Specificity of MERS-CoV Papain-like Protease May Differ from That of SARS-CoV. Acs Chem.Biol., 10, 2015
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3I81
| Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide] | 分子名称: | 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor | 著者 | Sack, J.S. | 登録日 | 2009-07-09 | 公開日 | 2009-12-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development. J.Med.Chem., 52, 2009
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6WSH
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6WW6
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6E9L
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6E9W
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6ED6
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6E99
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7M4S
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8TOQ
| ACE2-peptide 1 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | 著者 | Christie, M, Payne, R.J. | 登録日 | 2023-08-03 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOS
| ACE2-peptide 6 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | 著者 | Christie, M, Payne, R. | 登録日 | 2023-08-03 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOT
| ACE2-peptide2 complex crystal form 2 | 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, Angiotensin-converting enzyme 2, ... | 著者 | Christie, M, Payne, R.J. | 登録日 | 2023-08-03 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOU
| ACE2-peptide 2 complex crystal form 3 | 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, Angiotensin-converting enzyme 2, ... | 著者 | Franck, C, Payne, R.J, Christie, M. | 登録日 | 2023-08-04 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOR
| ACE2-peptide 2 complex | 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 | Christie, M, Payne, R.J. | 登録日 | 2023-08-03 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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7L4Z
| Structure of SARS-CoV-2 spike RBD in complex with cyclic peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-DTY-LYS-ALA-GLY-VAL-VAL-TYR-GLY-TYR-ASN-ALA-TRP-ILE-ARG-CYS-NH2, Spike protein S1 | 著者 | Christie, M, Mackay, J.P, Passioura, T, Payne, R.J. | 登録日 | 2020-12-21 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.96 Å) | 主引用文献 | Discovery of Cyclic Peptide Ligands to the SARS-CoV-2 Spike Protein Using mRNA Display. Acs Cent.Sci., 7, 2021
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8CV5
| Peptide 4.2B in complex with BRD3.2 | 分子名称: | ACETYL GROUP, AMINO GROUP, Bromodomain-containing protein 3, ... | 著者 | Franck, C, Mackay, J.P. | 登録日 | 2022-05-18 | 公開日 | 2023-05-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure, 31, 2023
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8CV7
| Peptide 2.2E in complex with BRD2-BD2 | 分子名称: | ACETYL GROUP, AMINO GROUP, Isoform 3 of Bromodomain-containing protein 2, ... | 著者 | Franck, C, Mackay, J.P. | 登録日 | 2022-05-18 | 公開日 | 2023-05-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure, 31, 2023
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8CV4
| Peptide 4.2C in complex with BRD4.2 | 分子名称: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | 著者 | Franck, C, Mackay, J.P. | 登録日 | 2022-05-18 | 公開日 | 2023-05-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure, 31, 2023
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8CV6
| Peptide 4.2B in complex with BRD4.2 | 分子名称: | ACETYL GROUP, AMINO GROUP, BRD4 protein, ... | 著者 | Franck, C, Mackay, J.P. | 登録日 | 2022-05-18 | 公開日 | 2023-05-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure, 31, 2023
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