5K7I
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![BU of 5k7i by Molmil](/molmil-images/mine/5k7i) | IRAK4 in complex with AZ3864 | 分子名称: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | 著者 | Ferguson, A.D. | 登録日 | 2016-05-26 | 公開日 | 2017-12-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5MWA
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![BU of 5mwa by Molmil](/molmil-images/mine/5mwa) | human sEH Phosphatase in complex with 3-4-3,4-dichlorophenyl-5-phenyl-1,3-oxazol-2-yl-benzoic-acid | 分子名称: | 3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | 著者 | Kramer, J.S, Pogoryelov, D, Sorrell, F.J, Fox, N, Chaikuad, A, Knapp, S, Proschak, E. | 登録日 | 2017-01-18 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of first in vivo active inhibitors of soluble epoxide hydrolase (sEH) phosphatase domain. J.Med.Chem., 2019
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7QCH
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![BU of 7qch by Molmil](/molmil-images/mine/7qch) | Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,5-dimethoxy-4-hydroxybenzyliden)thiosemicarbazone | 分子名称: | CHLORIDE ION, GLYCEROL, N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone, ... | 著者 | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | 登録日 | 2021-11-24 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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6PJ6
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![BU of 6pj6 by Molmil](/molmil-images/mine/6pj6) | High resolution cryo-EM structure of E.coli 50S | 分子名称: | 23S rRNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ... | 著者 | Stojkovic, V, Myasnikov, A, Frost, A, Fujimori, D.G. | 登録日 | 2019-06-27 | 公開日 | 2020-01-22 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | Assessment of the nucleotide modifications in the high-resolution cryo-electron microscopy structure of the Escherichia coli 50S subunit. Nucleic Acids Res., 48, 2020
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6XTW
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![BU of 6xtw by Molmil](/molmil-images/mine/6xtw) | HumRadA33F in complex with peptidic inhibitor 6 | 分子名称: | DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | 著者 | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | 登録日 | 2020-01-16 | 公開日 | 2021-01-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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7QCG
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![BU of 7qcg by Molmil](/molmil-images/mine/7qcg) | Structure of SARS-CoV-2 Papain-like Protease bound to N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone | 分子名称: | 3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide, CHLORIDE ION, GLYCEROL, ... | 著者 | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | 登録日 | 2021-11-23 | 公開日 | 2022-03-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease. Front Chem, 10, 2022
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5MYG
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![BU of 5myg by Molmil](/molmil-images/mine/5myg) | Crystal structure of the bromodomain of human BRPF1 in complex with NI-57 chemical probe | 分子名称: | 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide, Peregrin | 著者 | Tallant, C, Igoe, N, Bayle, E.D, Krojer, T, Nunez-Alonso, G, Kopec, J, Fitzpatrick, F, Savitsky, P, Fedorov, O, Brennan, P.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2017-01-26 | 公開日 | 2017-08-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins. J. Med. Chem., 60, 2017
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6FKG
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![BU of 6fkg by Molmil](/molmil-images/mine/6fkg) | Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | 分子名称: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | 著者 | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | 登録日 | 2018-01-24 | 公開日 | 2019-02-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death. Mol.Cell, 73, 2019
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5IYZ
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![BU of 5iyz by Molmil](/molmil-images/mine/5iyz) | Tubulin-MMAE complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E. | 登録日 | 2016-03-24 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics. Plos One, 11, 2016
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6N6C
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5IWM
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![BU of 5iwm by Molmil](/molmil-images/mine/5iwm) | 2.5A structure of GSK945237 with S.aureus DNA gyrase and DNA. | 分子名称: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*TP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*AP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | 著者 | Bax, B.D, Miles, T.J. | 登録日 | 2016-03-22 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases. Bioorg.Med.Chem.Lett., 26, 2016
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8UG3
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![BU of 8ug3 by Molmil](/molmil-images/mine/8ug3) | Crystal structure of KHK-C and compound 23 | 分子名称: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ... | 著者 | Durbin, J.D, Guo, S.Y. | 登録日 | 2023-10-05 | 公開日 | 2023-12-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor. J.Med.Chem., 66, 2023
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6N8C
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![BU of 6n8c by Molmil](/molmil-images/mine/6n8c) | Structure of the Huntingtin tetramer/dimer mixture determined by paramagnetic NMR | 分子名称: | Huntingtin | 著者 | Schwieters, C.D, Kotler, S.A, Schmidt, T, Ceccon, A, Ghirlando, R, Libich, D.S, Clore, G.M. | 登録日 | 2018-11-29 | 公開日 | 2019-02-13 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Probing initial transient oligomerization events facilitating Huntingtin fibril nucleation at atomic resolution by relaxation-based NMR. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8EZJ
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7T1J
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![BU of 7t1j by Molmil](/molmil-images/mine/7t1j) | Crystal structure of RUBISCO from Rhodospirillaceae bacterium BRH_c57 | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase | 著者 | Pereira, J.H, Liu, A.K, Shih, P.M, Adams, P.D. | 登録日 | 2021-12-02 | 公開日 | 2022-09-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structural plasticity enables evolution and innovation of RuBisCO assemblies. Sci Adv, 8, 2022
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8UG1
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7OBJ
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![BU of 7obj by Molmil](/molmil-images/mine/7obj) | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with cyclic di-AMP (c-di-AMP) | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Membrane-associated protein slr1513 | 著者 | Selim, K.A, Albrecht, R, Hartmann, M.D. | 登録日 | 2021-04-22 | 公開日 | 2022-02-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Diurnal metabolic control in cyanobacteria requires perception of second messenger signaling molecule c-di-AMP by the carbon control protein SbtB. Sci Adv, 7, 2021
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6YRP
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![BU of 6yrp by Molmil](/molmil-images/mine/6yrp) | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31) | 分子名称: | 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ... | 著者 | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | 登録日 | 2020-04-20 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 208, 2020
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8TUC
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![BU of 8tuc by Molmil](/molmil-images/mine/8tuc) | Unphosphorylated CaMKK2 in complex with CC-8977 | 分子名称: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. | 登録日 | 2023-08-16 | 公開日 | 2023-12-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2). J.Med.Chem., 66, 2023
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8CGQ
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6PE5
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![BU of 6pe5 by Molmil](/molmil-images/mine/6pe5) | Yeast Vo motor in complex with 2 VopQ molecules | 分子名称: | Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ... | 著者 | Peng, W, Li, Y, Tomchick, D.R, Orth, K. | 登録日 | 2019-06-20 | 公開日 | 2020-05-20 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM. Nat.Struct.Mol.Biol., 27, 2020
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8TER
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![BU of 8ter by Molmil](/molmil-images/mine/8ter) | Tropomyosin-receptor kinase fused gene protein (TRK-fused gene protein; TFG) Low Complexity Domain (residues 237-327) P285L mutant, amyloid fiber | 分子名称: | TRK-fused gene protein Low Complexity Domain P285L mutant | 著者 | Rosenberg, G.M, Sawaya, M.R, Boyer, D.R, Ge, P, Abskharon, R, Eisenberg, D.S. | 登録日 | 2023-07-06 | 公開日 | 2023-12-20 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (2.59 Å) | 主引用文献 | Fibril structures of TFG protein mutants validate the identification of TFG as a disease-related amyloid protein by the IMPAcT method. Pnas Nexus, 2, 2023
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6YCZ
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![BU of 6ycz by Molmil](/molmil-images/mine/6ycz) | Plasmodium falciparum Myosin A delta-Nter, Post-Rigor state | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | 登録日 | 2020-03-19 | 公開日 | 2020-11-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.27 Å) | 主引用文献 | Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets. Elife, 9, 2020
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6PFP
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![BU of 6pfp by Molmil](/molmil-images/mine/6pfp) | Crystal Structure of Amino Acids 1473-1536 of Human Beta Cardiac Myosin Fused to Gp7 and Eb1 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Myosin-7 fused to GP7 and EB1, SULFATE ION | 著者 | Andreas, M.P, Korkmaz, E.N, Kirsch, C.J, Hargreaves, M.D, Kieffer, D.J, Ajay, G, Cui, Q, Rayment, I. | 登録日 | 2019-06-21 | 公開日 | 2020-06-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Complete Model of the Cardiac Myosin Rod To Be Published
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8F47
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![BU of 8f47 by Molmil](/molmil-images/mine/8f47) | |