2F7Z
 
 | | Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine | | 分子名称: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE, PKI, inhibitory peptide, ... | | 著者 | Li, Q, Woods, K.W, Thomas, S, Zhu, G.D, Packard, G, Fisher, J, Li, T, Gong, J, Dinges, J, Song, X, Abrams, J, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Des Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | | 登録日 | 2005-12-01 | | 公開日 | 2006-06-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
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5GWZ
 | | The structure of Porcine epidemic diarrhea virus main protease in complex with an inhibitor | | 分子名称: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, PEDV main protease | | 著者 | Wang, F, Chen, C, Yang, K, Liu, X, Liu, H, Xu, Y, Chen, X, Liu, X, Cai, Y, Yang, H. | | 登録日 | 2016-09-14 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.444 Å) | | 主引用文献 | Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus
J. Med. Chem., 60, 2017
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7TD5
 | | Structure of human PRC2-EZH1 containing phosphorylated SUZ12 | | 分子名称: | Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ... | | 著者 | Gong, L, Jiao, L, Liu, X. | | 登録日 | 2021-12-30 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.994 Å) | | 主引用文献 | CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site.
Nat Commun, 13, 2022
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6U4Y
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2UZT
 | | PKA structures of AKT, indazole-pyridine inhibitors | | 分子名称: | (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | 著者 | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | | 登録日 | 2007-05-01 | | 公開日 | 2007-06-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
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2UZU
 | | PKA structures of indazole-pyridine series of AKT inhibitors | | 分子名称: | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | 著者 | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | | 登録日 | 2007-05-01 | | 公開日 | 2007-06-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
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2UZV
 | | PKA structures of indazole-pyridine series of AKT inhibitors | | 分子名称: | (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ... | | 著者 | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | | 登録日 | 2007-05-01 | | 公開日 | 2007-06-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
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2UZW
 | | PKA structures of indazole-pyridine series of AKT inhibitors | | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | 著者 | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | | 登録日 | 2007-05-01 | | 公開日 | 2007-06-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
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8ACD
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | | 分子名称: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
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8ACL
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
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8B56
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | | 分子名称: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | | 著者 | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | | 登録日 | 2022-09-21 | | 公開日 | 2023-08-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.823 Å) | | 主引用文献 | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.
J.Med.Chem., 65, 2022
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5GWE
 | | cytochrome P450 CREJ | | 分子名称: | (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Dong, S, liu, X, Wang, X, Feng, Y. | | 登録日 | 2016-09-11 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3HTK
 | | Crystal structure of Mms21 and Smc5 complex | | 分子名称: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ZINC ION | | 著者 | Duan, X, Sarangi, P, Liu, X, Rangi, G.K, Zhao, X, Ye, H. | | 登録日 | 2009-06-11 | | 公開日 | 2009-10-20 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Structural and functional insights into the roles of the Mms21 subunit of the Smc5/6 complex.
Mol.Cell, 35, 2009
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5JPU
 | | Structure of limonene epoxide hydrolase mutant - H-2-H5 complex with (S,S)-cyclohexane-1,2-diol | | 分子名称: | (1S,2S)-cyclohexane-1,2-diol, limonene epoxide hydrolase | | 著者 | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | | 登録日 | 2016-05-04 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
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5JPP
 | | Structure of limonene epoxide hydrolase mutant - H-2-H5 | | 分子名称: | limonene epoxide hydrolase | | 著者 | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | | 登録日 | 2016-05-04 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
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5KJH
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5KKL
 | | Structure of ctPRC2 in complex with H3K27me3 and H3K27M | | 分子名称: | ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA, Putative uncharacterized protein,Histone H3.1 peptide,Zinc finger domain-containing protein, S-ADENOSYLMETHIONINE, ... | | 著者 | Jiao, L, Liu, X. | | 登録日 | 2016-06-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Response to Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2".
Science, 354, 2016
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5KJI
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2YEW
 | | Modeling Barmah Forest virus structural proteins | | 分子名称: | CAPSID PROTEIN, E1 ENVELOPE GLYCOPROTEIN, E2 ENVELOPE GLYCOPROTEIN | | 著者 | Kostyuchenko, V.A, Jakana, J, Liu, X, Haddow, A.D, Aung, M, Weaver, S.C, Chiu, W, Lok, S.M. | | 登録日 | 2011-03-31 | | 公開日 | 2012-04-18 | | 最終更新日 | 2019-10-23 | | 実験手法 | ELECTRON MICROSCOPY (5 Å) | | 主引用文献 | The Structure of Barmah Forest Virus as Revealed by Cryo-Electron Microscopy at a 6-Angstrom Resolution Has Detailed Transmembrane Protein Architecture and Interactions.
J.Virol., 85, 2011
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2ZBB
 | | P43 crystal of DctBp | | 分子名称: | C4-dicarboxylate transport sensor protein dctB, MALONIC ACID | | 著者 | Zhou, Y.F, Nan, B.Y, Liu, X, Nan, J, Liang, Y.H, Panjikar, S, Ma, Q.J, Wang, Y.P, Su, X.-D. | | 登録日 | 2007-10-18 | | 公開日 | 2008-11-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | crystal structures of sensory histidine kinase DctBp
to be published
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3WFV
 | | HIV-1 CRF07 gp41 | | 分子名称: | Envelope glycoprotein gp160 | | 著者 | Du, J, Xue, H, Ma, J, Liu, F, Zhou, J, Shao, Y, Qiao, W, Liu, X. | | 登録日 | 2013-07-24 | | 公開日 | 2013-10-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The crystal structure of HIV CRF07 B'/C gp41 reveals a hyper-mutant site in the middle of HR2 heptad repeat
Virology, 446, 2013
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6JKM
 | | Crystal structure of BubR1 kinase domain | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | | 登録日 | 2019-03-01 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
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6JKK
 | | Crystal structure of BubR1 kinase domain | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1 | | 著者 | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | | 登録日 | 2019-03-01 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
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5X0X
 | | Complex of Snf2-Nucleosome complex with Snf2 bound to position +6 of the nucleosome | | 分子名称: | DNA (167-MER), Histone H2A, Histone H2B 1.1, ... | | 著者 | Li, M, Liu, X, Xia, X, Chen, Z, Li, X. | | 登録日 | 2017-01-23 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.97 Å) | | 主引用文献 | Mechanism of chromatin remodelling revealed by the Snf2-nucleosome structure.
Nature, 544, 2017
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3CXP
 | | Crystal structure of human glucosamine 6-phosphate N-acetyltransferase 1 mutant E156A | | 分子名称: | CHLORIDE ION, Glucosamine 6-phosphate N-acetyltransferase | | 著者 | Wang, J, Liu, X, Li, L.-F, Su, X.-D. | | 登録日 | 2008-04-25 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Acceptor substrate binding revealed by crystal structure of human glucosamine-6-phosphate N-acetyltransferase 1
Febs Lett., 582, 2008
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