8W6K
 
 | | in situ room temperature Laue crystallography | | 分子名称: | Lysozyme C | | 著者 | Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y. | | 登録日 | 2023-08-29 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | BL03HB: a Laue microdiffraction beamline for both protein crystallography and materials science at SSRF
Nucl.Sci.Tech., 35, 2024
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8W6B
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8W6A
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8W5Z
 | | Crystal structure of tick tyrosylprotein sulfotransferase reveals the activation mechanism of tick anticoagulant protein madanin | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ADENOSINE-3'-5'-DIPHOSPHATE, ... | | 著者 | Yoshimura, M, Teramoto, T, Nishimoto, E, Kakuta, Y. | | 登録日 | 2023-08-28 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Crystal structure of tick tyrosylprotein sulfotransferase reveals the activation mechanism of the tick anticoagulant protein madanin.
J.Biol.Chem., 300, 2024
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8W5C
 | | Crystal structure of FGFR4 kinase domain in complex with 8K | | 分子名称: | Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide | | 著者 | Zhang, Z.M, Huang, H.S. | | 登録日 | 2023-08-26 | | 公開日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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8W53
 | | Crystal structure of LbUGT in complex with UDP | | 分子名称: | GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | 著者 | Hu, D, Wang, G.Q. | | 登録日 | 2023-08-25 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.42816162 Å) | | 主引用文献 | Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines.
Nat Commun, 15, 2024
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8W4T
 | | Crystal structure of PDE5A in complex with a novel inhibitor | | 分子名称: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2023-08-24 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8W4S
 | | Crystal structure of PDE5A in complex with CVT-313 | | 分子名称: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2023-08-24 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.848 Å) | | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8W4R
 | | Crystal structure of PDE4D complexed with CVT-313 | | 分子名称: | 1,2-ETHANEDIOL, 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2023-08-24 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8W4Q
 | | Crystal structure of PDE4D complexed with CX-4945 | | 分子名称: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, MAGNESIUM ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2023-08-24 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8W4J
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8W49
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8W3X
 | | Crystal structure of IRAK4 in complex with compound 6 | | 分子名称: | 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Knafels, J.D. | | 登録日 | 2024-02-22 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.765 Å) | | 主引用文献 | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833).
Acs Med.Chem.Lett., 15, 2024
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8W3W
 | | Crystal structure of IRAK4 in complex with compound 4 | | 分子名称: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Han, S, Knafels, J.D. | | 登録日 | 2024-02-22 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.976 Å) | | 主引用文献 | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833).
Acs Med.Chem.Lett., 15, 2024
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8W3A
 | | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | | 分子名称: | Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | | 著者 | Lecomte, J.T.J, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | | 登録日 | 2024-02-22 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Heme d formation in a Shewanella benthica hemoglobin.
J.Inorg.Biochem., 259, 2024
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8W33
 | | Structure of McrD (methyl-coenzyme M reductase operon protein D) from Methanomassiliicoccus luminyensis | | 分子名称: | GLYCEROL, McrD (methyl-coenzyme M reductase operon protein D) | | 著者 | Sutherland-Smith, A.J, Carbone, V, Schofield, L.R, Ronimus, R.S. | | 登録日 | 2024-02-21 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The crystal structure of methanogen McrD, a methyl-coenzyme M reductase-associated protein.
Febs Open Bio, 14, 2024
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8W31
 | | Crystal structure of parkin (R0RB):2pUb with activator compound | | 分子名称: | (S)-1-(6-benzyl-3-(4-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)ethan-1-one, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | 著者 | Sauve, V, Gehring, K. | | 登録日 | 2024-02-21 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Activation of parkin by a molecular glue.
Nat Commun, 15, 2024
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8W2O
 | | Yeast U1 snRNP with humanized U1C Zinc-Finger domain | | 分子名称: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ... | | 著者 | Shi, S.S, Kuang, Z.L, Zhao, R. | | 登録日 | 2024-02-20 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | | 主引用文献 | Selected humanization of yeast U1 snRNP leads to global suppression of pre-mRNA splicing and mitochondrial dysfunction in the budding yeast.
Rna, 30, 2024
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8W2L
 | | TRPM7 structure in complex with anticancer agent CCT128930 in closed state | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, ... | | 著者 | Nadezhdin, K.D, Sobolevsky, A.I. | | 登録日 | 2024-02-20 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.45 Å) | | 主引用文献 | Structural basis of selective TRPM7 inhibition by the anticancer agent CCT128930.
Cell Rep, 43, 2024
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8W2K
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PAN3F inhibitor | | 分子名称: | (6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | 著者 | Geeraerts, Z, Yeh, S.-R. | | 登録日 | 2024-02-20 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase.
J.Med.Chem., 67, 2024
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8W2D
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8W21
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8W1V
 | | The beta2 adrenergic receptor bound to a bitopic ligand | | 分子名称: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Endolysin, Lauryl Maltose Neopentyl Glycol, ... | | 著者 | Gaiser, B, Danielsen, M, Xu, X, Jorgensen, K, Fronik, P, Marcher-Rorsted, E, Wrobe, T, Hirata, K, Liu, X, Mathiesen, J, Pedersen, D. | | 登録日 | 2024-02-19 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Bitopic Ligands Support the Presence of a Metastable Binding Site at the beta 2 Adrenergic Receptor.
J.Med.Chem., 67, 2024
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8W1S
 | | Cryo-EM structure of BTV pre-core | | 分子名称: | Core protein VP3, RNA-directed RNA polymerase | | 著者 | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | | 登録日 | 2024-02-17 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells.
Cell, 187, 2024
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8W1R
 | | Cryo-EM structure of BTV core | | 分子名称: | Core protein VP3, RNA-directed RNA polymerase | | 著者 | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | | 登録日 | 2024-02-17 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells.
Cell, 187, 2024
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