9C61
| Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 | 分子名称: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one, Non-specific serine/threonine protein kinase, UNKNOWN ATOM OR ION | 著者 | Zeng, H, Dong, A, Kutera, M, Ilyassov, O, Seitova, A, Loppnau, P, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | 登録日 | 2024-06-07 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 To be published
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9C6P
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9C81
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | 分子名称: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase | 著者 | Liu, F, Shoichet, B.K, Bassim, V. | 登録日 | 2024-06-11 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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9C82
| Structure of human ULK1C:PI3KC3-C1 supercomplex | 分子名称: | Beclin 1-associated autophagy-related key regulator, Beclin-1, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | 著者 | Chen, M, Hurley, J.H. | 登録日 | 2024-06-11 | 公開日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (6.84 Å) | 主引用文献 | Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex bioRxiv, 2023
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9C83
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | 分子名称: | AmpC Beta-lactamase, N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide | 著者 | Liu, F, Shoichet, B.K. | 登録日 | 2024-06-11 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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9C84
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9C8J
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9CGM
| The Structure of Spiroplasma Virus 4 | 分子名称: | Capsid protein VP1, DNA binding protein ORF8 | 著者 | Mietzsch, M, McKenna, R. | 登録日 | 2024-06-30 | 公開日 | 2024-07-17 | 最終更新日 | 2024-08-07 | 実験手法 | ELECTRON MICROSCOPY (2.52 Å) | 主引用文献 | The Structure of Spiroplasma Virus 4 : Exploring the Capsid Diversity of the Microviridae. Viruses, 16, 2024
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9CL9
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9CMZ
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9CPG
| Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | 分子名称: | 4-carbamimidamidophenyl 4-carbamimidamidobenzoate, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | 著者 | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | 登録日 | 2024-07-18 | 公開日 | 2024-08-07 | 実験手法 | SOLUTION NMR | 主引用文献 | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1. Bioorg.Med.Chem.Lett., 2024
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9CPI
| Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | 分子名称: | 4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | 著者 | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | 登録日 | 2024-07-18 | 公開日 | 2024-08-07 | 実験手法 | SOLUTION NMR | 主引用文献 | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1. Bioorg.Med.Chem.Lett., 2024
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9CTH
| Preliminary map of the Prothrombin-prothrombinase complex on nano discs | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activated Factor V (FVa) heavy chain, Activated Factor V (FVa) light chain, ... | 著者 | Stojanovski, B.M, Mohammed, B.M, Di Cera, E. | 登録日 | 2024-07-25 | 公開日 | 2024-08-07 | 実験手法 | ELECTRON MICROSCOPY (6.47 Å) | 主引用文献 | The Prothrombin-Prothrombinase Interaction. Subcell Biochem, 104, 2024
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9EMA
| RUVBL1/2 in complex with ATP and CB-6644 inhibitor | 分子名称: | 5-chloranyl-2-ethoxy-4-fluoranyl-~{N}-[4-[[3-(methoxymethyl)-1-oxidanylidene-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Lopez-Perrote, A, Llorca, O, Garcia-Martin, C. | 登録日 | 2024-03-07 | 公開日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Mechanism of allosteric inhibition of RUVBL1-RUVBL2 by the small-molecule CB-6644 Cell Rep Phys Sci, 2024
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9EN6
| Crystal structure of RNA G2C4 repeats - native model pH 6.5 | 分子名称: | MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3') | 著者 | Mateja-Pluta, M, Kiliszek, A. | 登録日 | 2024-03-12 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (0.918 Å) | 主引用文献 | Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand. Nucleic Acids Res., 52, 2024
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9ENZ
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9EO0
| Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | 分子名称: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | 著者 | Plewka, J, Hec, A, Sitar, T, Holak, T. | 登録日 | 2024-03-14 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction. Acs Med.Chem.Lett., 15, 2024
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9EO2
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9EO5
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9EO8
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9EOJ
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9EOU
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9EPV
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 | 分子名称: | 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ... | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2024-03-20 | 公開日 | 2024-05-01 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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9EPW
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336 | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2024-03-20 | 公開日 | 2024-05-01 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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9EPX
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 | 分子名称: | 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ... | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2024-03-20 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 To Be Published
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