8ART
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8ARO
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![BU of 8aro by Molmil](/molmil-images/mine/8aro) | Small molecular stabilizer for ERalpha and 14-3-3 (1080291) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-17 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8ARN
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![BU of 8arn by Molmil](/molmil-images/mine/8arn) | Crystal structure of the peptide binding protein, OppA, from Bacillus subtilis in complex with an endogenous tetrapeptide | 分子名称: | Endogenous tetrapeptide (SER-ASN-SER-SER), Oligopeptide-binding protein OppA | 著者 | Hughes, A, Dodson, E.J, Wilkinson, A.J. | 登録日 | 2022-08-17 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE. Microbiology (Reading, Engl.), 168, 2022
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8ARM
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![BU of 8arm by Molmil](/molmil-images/mine/8arm) | Crystal structure of LSSmScarlet2 | 分子名称: | LSSmScarlet2, SULFATE ION | 著者 | Samygina, V.R, Subach, O.M, Vlaskina, A.V, Subach, F.V. | 登録日 | 2022-08-17 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | LSSmScarlet2 and LSSmScarlet3, Chemically Stable Genetically Encoded Red Fluorescent Proteins with a Large Stokes' Shift. Int J Mol Sci, 23, 2022
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8ARL
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8ARJ
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![BU of 8arj by Molmil](/molmil-images/mine/8arj) | Anaplastic Lymphoma Kinase with a novel carboline inhibitor | 分子名称: | 3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one, ALK tyrosine kinase receptor | 著者 | Mologni, L, Scapozza, L, Gambacorti-Passerini, C, Tardy, S, Goekjian, P, Robinson, C, Brown, D. | 登録日 | 2022-08-17 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.645 Å) | 主引用文献 | Discovery of Novel alpha-Carboline Inhibitors of the Anaplastic Lymphoma Kinase. Acs Omega, 7, 2022
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8ARF
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8ARE
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![BU of 8are by Molmil](/molmil-images/mine/8are) | Crystal structure of the peptide binding protein, OppA, from Bacillus subtilis in complex with a PhrE-derived pentapeptide | 分子名称: | Oligopeptide-binding protein OppA, Phosphatase RapE inhibitor, SULFATE ION | 著者 | Hughes, A, Dodson, E.J, Wilkinson, A.J. | 登録日 | 2022-08-16 | 公開日 | 2023-02-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE. Microbiology (Reading, Engl.), 168, 2022
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8ARA
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![BU of 8ara by Molmil](/molmil-images/mine/8ara) | Heterologous Complex of Aeromonas hydrophila Type III secretion substrate AscX with Yersinia enterocolitica chaperone YscY | 分子名称: | ACETATE ION, AscX, CHLORIDE ION, ... | 著者 | Gilzer, D, Kowal, J.L, Niemann, H.H. | 登録日 | 2022-08-16 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The type III secretion chaperone SctY may shield the hydrophobic export gate-binding C-terminus of its substrate SctX. Acta Crystallogr D Struct Biol, 79, 2023
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8AR3
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![BU of 8ar3 by Molmil](/molmil-images/mine/8ar3) | Solution structure of TLR9 transmembrane and cytoplasmic juxtamembrane regions | 分子名称: | Toll-like receptor 9 | 著者 | Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | 登録日 | 2022-08-15 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors. Nat Commun, 14, 2023
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8AR2
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![BU of 8ar2 by Molmil](/molmil-images/mine/8ar2) | Solution structure of TLR5 transmembrane and cytoplasmic juxtamembrane regions | 分子名称: | Toll-like receptor 5 | 著者 | Shabalkina, A.V, Kornilov, F.D, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | 登録日 | 2022-08-15 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors. Nat Commun, 14, 2023
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8AR1
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![BU of 8ar1 by Molmil](/molmil-images/mine/8ar1) | Solution structure of TLR3 transmembrane and cytoplasmic juxtamembrane regions | 分子名称: | Toll-like receptor 3 | 著者 | Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | 登録日 | 2022-08-15 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors. Nat Commun, 14, 2023
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8AR0
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![BU of 8ar0 by Molmil](/molmil-images/mine/8ar0) | Solution structure of TLR2 transmembrane and cytoplasmic juxtamembrane regions | 分子名称: | Toll-like receptor 2 | 著者 | Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | 登録日 | 2022-08-15 | 公開日 | 2023-03-22 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors. Nat Commun, 14, 2023
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8AQW
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![BU of 8aqw by Molmil](/molmil-images/mine/8aqw) | BA.4/5 SARS-CoV-2 Spike bound to mouse ACE2 (local) | 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, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | 著者 | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | 登録日 | 2022-08-13 | 公開日 | 2023-03-15 | 最終更新日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range. Plos Pathog., 19, 2023
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8AQV
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![BU of 8aqv by Molmil](/molmil-images/mine/8aqv) | BA.2.12.1 SARS-CoV-2 Spike bound to mouse ACE2 (local) | 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, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | 著者 | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | 登録日 | 2022-08-13 | 公開日 | 2023-03-01 | 最終更新日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | 主引用文献 | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range. Plos Pathog., 19, 2023
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8AQU
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![BU of 8aqu by Molmil](/molmil-images/mine/8aqu) | BA.1 SARS-CoV-2 Spike bound to mouse ACE2 (local) | 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, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | 著者 | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | 登録日 | 2022-08-13 | 公開日 | 2023-03-01 | 最終更新日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | 主引用文献 | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range. Plos Pathog., 19, 2023
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8AQT
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![BU of 8aqt by Molmil](/molmil-images/mine/8aqt) | Beta SARS-CoV-2 Spike bound to mouse ACE2 (local) | 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, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | 著者 | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | 登録日 | 2022-08-13 | 公開日 | 2023-03-01 | 最終更新日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range. Plos Pathog., 19, 2023
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8AQS
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![BU of 8aqs by Molmil](/molmil-images/mine/8aqs) | BA.4/5 SARS-CoV-2 Spike bound to human ACE2 (local) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein,Fibritin, ... | 著者 | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | 登録日 | 2022-08-13 | 公開日 | 2023-03-01 | 最終更新日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | 主引用文献 | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range. Plos Pathog., 19, 2023
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8AQN
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![BU of 8aqn by Molmil](/molmil-images/mine/8aqn) | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | 分子名称: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | 著者 | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | 登録日 | 2022-08-12 | 公開日 | 2022-11-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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8AQF
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![BU of 8aqf by Molmil](/molmil-images/mine/8aqf) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | 分子名称: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | 著者 | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | 登録日 | 2022-08-12 | 公開日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy To Be Published
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8AQ9
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8AQ7
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![BU of 8aq7 by Molmil](/molmil-images/mine/8aq7) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 | 分子名称: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Ostermann, N. | 登録日 | 2022-08-11 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
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8AQ6
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8AQ5
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![BU of 8aq5 by Molmil](/molmil-images/mine/8aq5) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | 分子名称: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Ostermann, N. | 登録日 | 2022-08-11 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
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8AQ4
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![BU of 8aq4 by Molmil](/molmil-images/mine/8aq4) | In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with TITC and lyso-PE | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | 登録日 | 2022-08-11 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase. Sci Adv, 9, 2023
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