6CHL
 
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CHQ
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | 分子名称: | 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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7TZO
 | | The apo structure of human mTORC2 complex | | 分子名称: | Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ... | | 著者 | Yu, Z, Chen, J, Pearce, D. | | 登録日 | 2022-02-16 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Interactions between mTORC2 core subunits Rictor and mSin1 dictate selective and context-dependent phosphorylation of substrate kinases SGK1 and Akt.
J.Biol.Chem., 298, 2022
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8K4F
 | | DHODH in complex with compound A0 | | 分子名称: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | | 著者 | Jian, L, Sun, Q. | | 登録日 | 2023-07-18 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
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4L0L
 | | Crystal structure of P.aeruginosa PBP3 in complex with compound 4 | | 分子名称: | (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid, Penicillin-binding protein 3 | | 著者 | Han, S, Marr, E.S. | | 登録日 | 2013-05-31 | | 公開日 | 2013-08-21 | | 最終更新日 | 2014-01-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pyridone-conjugated monobactam antibiotics with gram-negative activity.
J.Med.Chem., 56, 2013
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1KHX
 | | Crystal structure of a phosphorylated Smad2 | | 分子名称: | Smad2 | | 著者 | Wu, J.-W, Hu, M, Chai, J, Seoane, J, Huse, M, Kyin, S, Muir, T.W, Fairman, R, Massague, J, Shi, Y. | | 登録日 | 2001-12-01 | | 公開日 | 2002-02-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of a phosphorylated Smad2. Recognition of phosphoserine by the MH2 domain and insights on Smad function in TGF-beta signaling.
Mol.Cell, 8, 2001
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4Z8M
 | | Crystal structure of the MAVS-TRAF6 complex | | 分子名称: | Peptide from Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 6 | | 著者 | Shi, Z.B, Zhou, Z. | | 登録日 | 2015-04-09 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structural Insights into Mitochondrial Antiviral Signaling Protein (MAVS)-Tumor Necrosis Factor Receptor-associated Factor 6 (TRAF6) Signaling
J.Biol.Chem., 290, 2015
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1JSZ
 | | Crystal Structure Analysis of N7,9-dimethylguanine-VP39 complex | | 分子名称: | 7,9-DIMETHYLGUANINE, S-ADENOSYL-L-HOMOCYSTEINE, VP39 | | 著者 | Hu, G, Oguro, A, Gershon, P.D, Quiocho, F.A. | | 登録日 | 2001-08-19 | | 公開日 | 2002-07-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | The "cap-binding slot" of an mRNA cap-binding protein: quantitative effects of aromatic side chain choice in the double-stacking sandwich with cap.
Biochemistry, 41, 2002
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1JTE
 | | Crystal Structure Analysis of VP39 F180W mutant | | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, VP39 | | 著者 | Hu, G, Oguro, A, Gershon, P.D, Quiocho, F.A. | | 登録日 | 2001-08-20 | | 公開日 | 2002-07-10 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The "cap-binding slot" of an mRNA cap-binding protein: quantitative effects of aromatic side chain choice in the double-stacking sandwich with cap.
Biochemistry, 41, 2002
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1JTF
 | | Crystal Structure Analysis of VP39-F180W mutant and m7GpppG complex | | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, S-ADENOSYL-L-HOMOCYSTEINE, VP39 | | 著者 | Hu, G, Oguro, A, Gershon, P.D, Quiocho, F.A. | | 登録日 | 2001-08-20 | | 公開日 | 2002-07-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The "cap-binding slot" of an mRNA cap-binding protein: quantitative effects of aromatic side chain choice in the double-stacking sandwich with cap.
Biochemistry, 41, 2002
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5J9T
 | | Crystal structure of the NuA4 core complex | | 分子名称: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | | 著者 | Chen, Z.C, Xu, P. | | 登録日 | 2016-04-11 | | 公開日 | 2016-10-26 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
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7XQE
 | | Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039 | | 分子名称: | 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ... | | 著者 | Wu, X, Li, C, Zhang, Y, Xu, Y. | | 登録日 | 2022-05-07 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
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5KGW
 | | HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | 分子名称: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | | 著者 | Feng, L, Kobe, M, Kvaratskhelia, M. | | 登録日 | 2016-06-13 | | 公開日 | 2016-10-19 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
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5KGX
 | | HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | 分子名称: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | | 著者 | Feng, L, Kobe, M, Kvaratskhelia, M. | | 登録日 | 2016-06-13 | | 公開日 | 2016-10-19 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
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2I4E
 | | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | | 分子名称: | Receptor-type tyrosine-protein phosphatase beta, VANADATE ION | | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | | 登録日 | 2006-08-21 | | 公開日 | 2006-08-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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2I3R
 | | Engineered catalytic domain of protein tyrosine phosphatase HPTPbeta | | 分子名称: | CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta | | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | | 登録日 | 2006-08-20 | | 公開日 | 2006-08-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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2I4G
 | | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with a sulfamic acid (soaking experiment) | | 分子名称: | CHLORIDE ION, N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE, Receptor-type tyrosine-protein phosphatase beta | | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | | 登録日 | 2006-08-21 | | 公開日 | 2006-08-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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2I5X
 | | Engineering the PTPbeta catalytic domain with improved crystallization properties | | 分子名称: | (4-ETHYLPHENYL)SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Klopfenstein, S. | | 登録日 | 2006-08-26 | | 公開日 | 2006-09-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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5KQA
 | | Crystal structure of buckwheat glutaredoxin-glutathione complex | | 分子名称: | GLUTATHIONE, Glutaredoxin-glutathione complex | | 著者 | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | | 登録日 | 2016-07-06 | | 公開日 | 2017-07-05 | | 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 binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
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5J9Q
 | | Crystal structure of the NuA4 core complex | | 分子名称: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | | 著者 | Chen, Z.C, Xu, P. | | 登録日 | 2016-04-11 | | 公開日 | 2016-10-26 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
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2I4H
 | | Structural studies of protein tyrosine phosphatase beta catalytic domain co-crystallized with a sulfamic acid inhibitor | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE, ... | | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | | 登録日 | 2006-08-21 | | 公開日 | 2006-08-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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5J9U
 | | Crystal structure of the NuA4 core complex | | 分子名称: | Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ... | | 著者 | Chen, Z.C, Xu, P. | | 登録日 | 2016-04-11 | | 公開日 | 2016-10-26 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
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2I3U
 | | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | | 分子名称: | Receptor-type tyrosine-protein phosphatase beta | | 著者 | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | | 登録日 | 2006-08-20 | | 公開日 | 2006-08-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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2HC1
 | | Engineered catalytic domain of protein tyrosine phosphatase HPTPbeta. | | 分子名称: | ACETATE ION, CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta | | 著者 | Evdokimov, A.G, Pokross, M, Walter, R, Mekel, M. | | 登録日 | 2006-06-14 | | 公開日 | 2006-06-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
Acta Crystallogr.,Sect.D, 62, 2006
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5J9W
 | | Crystal structure of the NuA4 core complex | | 分子名称: | ACETYL COENZYME *A, Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, ... | | 著者 | Chen, Z.C, Xu, P. | | 登録日 | 2016-04-11 | | 公開日 | 2016-10-26 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
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