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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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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1DGK
| MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I WITH GLUCOSE AND ADP IN THE ACTIVE SITE | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, PHOSPHATE ION, ... | 著者 | Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | 登録日 | 1999-11-24 | 公開日 | 2000-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation. J.Mol.Biol., 296, 2000
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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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1DXA
| BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA | 分子名称: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*AP*CP*GP*AP*G)-3') | 著者 | Yeh, H.J.C, Sayer, J.M, Liu, X, Altieri, A.S, Byrd, R.A, Lakshman, M.K, Yagi, H, Schurter, E.J, Gorenstein, D.G, Jerina, D.M. | 登録日 | 1995-09-01 | 公開日 | 1995-12-07 | 最終更新日 | 2024-03-13 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR solution structure of a nonanucleotide duplex with a dG mismatch opposite a 10S adduct derived from trans addition of a deoxyadenosine N6-amino group to (+)-(7R,8S,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10- tetrahydrobenzo[a]pyrene: an unusual syn glycosidic torsion angle at the modified dA Biochemistry, 34, 1995
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3LEH
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1CZA
| MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, ... | 著者 | Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | 登録日 | 1999-09-01 | 公開日 | 2000-03-06 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation. J.Mol.Biol., 296, 2000
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1EJI
| RECOMBINANT SERINE HYDROXYMETHYLTRANSFERASE (MOUSE) | 分子名称: | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], SERINE HYDROXYMETHYLTRANSFERASE | 著者 | Szebenyi, D.M.E, Liu, X, Kriksunov, I.A, Stover, P.J, Thiel, D.J. | 登録日 | 2000-03-02 | 公開日 | 2000-11-03 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure of a murine cytoplasmic serine hydroxymethyltransferase quinonoid ternary complex: evidence for asymmetric obligate dimers. Biochemistry, 39, 2000
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1CS7
| SYNTHETIC DNA HAIRPIN WITH STILBENEDIETHER LINKER | 分子名称: | 5'-D(GP*(BRU)P*TP*TP*TP*GP*(S02)*CP*AP*AP*AP*AP*C)-3', STRONTIUM ION | 著者 | Lewis, F.D, Liu, X, Wu, Y, Miller, S.E, Wasielewski, M.R, Letsinger, R.L, Sanishvili, R, Joachimiak, A, Tereshko, V, Egli, M. | 登録日 | 1999-08-17 | 公開日 | 2001-10-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structure and Photoinduced Electron Transfer in Exceptionally Stable Synthetic DNA Hairpins with Stilbenediether Linkers J.Am.Chem.Soc., 121, 1999
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1FJA
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1FTN
| CRYSTAL STRUCTURE OF THE HUMAN RHOA/GDP COMPLEX | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, TRANSFORMING PROTEIN RHOA (H12) | 著者 | Wei, Y, Zhang, Y, Derewenda, U, Liu, X, Minor, W, Nakamoto, R.K, Somlyo, A.V, Somlyo, A.P, Derewenda, Z.S. | 登録日 | 1997-03-13 | 公開日 | 1998-03-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of RhoA-GDP and its functional implications. Nat.Struct.Biol., 4, 1997
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5F5M
| Crystal structure of Marburg virus nucleoprotein core domain | 分子名称: | Nucleoprotein | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | 登録日 | 2015-12-04 | 公開日 | 2017-05-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus J. Virol., 91, 2017
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5F5O
| Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide | 分子名称: | Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | 登録日 | 2015-12-04 | 公開日 | 2017-05-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus J. Virol., 91, 2017
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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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3TOE
| Structure of Mth10b | 分子名称: | DNA/RNA-binding protein Alba | 著者 | Pan, X.M, Zhang, N, Liu, Y.F, Liu, X. | 登録日 | 2011-09-05 | 公開日 | 2012-04-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.197 Å) | 主引用文献 | Molecular mechanism underlying the interaction of typical Sac10b family proteins with DNA. Plos One, 7, 2012
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4QQR
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6M0K
| The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 著者 | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | 登録日 | 2020-02-22 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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4ROU
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5HLH
| Crystal structure of the overoxidized AbfR bound to DNA | 分子名称: | DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator | 著者 | Liu, G, Liu, X, Gan, J, Yang, C.-G. | 登録日 | 2016-01-15 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR. J. Am. Chem. Soc., 139, 2017
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5HLI
| Structure of Disulfide formed AbfR | 分子名称: | CHLORIDE ION, COPPER (II) ION, MarR family transcriptional regulator | 著者 | Liu, G, Liu, X, Gan, J, Yang, C.-G. | 登録日 | 2016-01-15 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR. J. Am. Chem. Soc., 139, 2017
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5HLG
| Structure of reduced AbfR bound to DNA | 分子名称: | DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator | 著者 | Liu, G, Liu, X, Gan, J, Yang, C.G. | 登録日 | 2016-01-15 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR. J. Am. Chem. Soc., 139, 2017
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3TG2
| Crystal structure of the ISC domain of VibB in complex with isochorismate | 分子名称: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, TRIETHYLENE GLYCOL, Vibriobactin-specific isochorismatase | 著者 | Liu, S, Zhang, C, Niu, B, Li, N, Liu, X, Liu, M, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L. | 登録日 | 2011-08-17 | 公開日 | 2012-08-29 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.101 Å) | 主引用文献 | Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction Acta Crystallogr.,Sect.D, 68, 2012
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6LZE
| The crystal structure of COVID-19 main protease in complex with an inhibitor 11a | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 著者 | Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | 登録日 | 2020-02-19 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.505 Å) | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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