4ZPF
 
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4ZPG
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2GVZ
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3PI5
 | | Crystal Structure of Human Beta Secretase in Complex with BFG356 | | 分子名称: | (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | 著者 | Rondeau, J.M. | | 登録日 | 2010-11-05 | | 公開日 | 2011-03-23 | | 最終更新日 | 2017-03-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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6DHL
 | | Bovine glutamate dehydrogenase complexed with epicatechin-3-gallate (ECG) | | 分子名称: | (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Glutamate dehydrogenase 1, mitochondrial | | 著者 | Smith, T.J. | | 登録日 | 2018-05-20 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.624 Å) | | 主引用文献 | Green tea polyphenols control dysregulated glutamate dehydrogenase in transgenic mice by hijacking the ADP activation site.
J. Biol. Chem., 286, 2011
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6BT0
 | | CRYSTAL STRUCTURE OF RHEB IN COMPLEX WITH COMPOUND NR1 | | 分子名称: | 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid, GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Mahoney, S.J. | | 登録日 | 2017-12-04 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A small molecule inhibitor of Rheb selectively targets mTORC1 signaling.
Nat Commun, 9, 2018
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6BSX
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3K5C
 | | Human BACE-1 complex with NB-216 | | 分子名称: | (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2009-10-07 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Bioorg.Med.Chem.Lett., 20, 2010
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5YXH
 | | Structure of Rheb-GDP | | 分子名称: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Mahoney, S.J. | | 登録日 | 2017-12-05 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | A small molecule inhibitor of Rheb selectively targets mTORC1 signaling.
Nat Commun, 9, 2018
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6ATF
 | | HLA-DRB1*1402 in complex with Vimentin59-71 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Scally, S.W, Ting, Y.T, Rossjohn, J. | | 登録日 | 2017-08-29 | | 公開日 | 2017-09-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
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6ATZ
 | | HLA-DRB1*1402 in complex with citrullinated fibrinogen peptide | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta chain, ... | | 著者 | Ting, Y.T, Scally, S.W, Rossjohn, J. | | 登録日 | 2017-08-29 | | 公開日 | 2017-09-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
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6ATI
 | | HLA-DRB1*1402 in complex with Vimentin-64Cit59-71 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | | 著者 | Scally, S.W, Ting, Y.T, Rossjohn, J. | | 登録日 | 2017-08-29 | | 公開日 | 2017-09-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
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4ZOP
 | | Co-crystal Structure of Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor | | 分子名称: | (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Knapp, M.S, Elling, R.A. | | 登録日 | 2015-05-06 | | 公開日 | 2016-05-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Co-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitorCo-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor
To Be Published
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1MY1
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1MXX
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1MY0
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1MY3
 | | crystal structure of glutamate receptor ligand-binding core in complex with bromo-willardiine in the Zn crystal form | | 分子名称: | 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION | | 著者 | Jin, R, Gouaux, E. | | 登録日 | 2002-10-03 | | 公開日 | 2003-06-10 | | 最終更新日 | 2017-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core:
Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
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1MXW
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1MXY
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1MXZ
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1MY4
 | | crystal structure of glutamate receptor ligand-binding core in complex with iodo-willardiine in the Zn crystal form | | 分子名称: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION | | 著者 | Jin, R, Gouaux, E. | | 登録日 | 2002-10-03 | | 公開日 | 2003-06-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
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3NAX
 | | PDK1 in complex with inhibitor MP7 | | 分子名称: | 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1 | | 著者 | Yan, Y, Munshi, S.K, Allison, T. | | 登録日 | 2010-06-02 | | 公開日 | 2010-11-24 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor.
J.Biol.Chem., 286, 2011
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3NAY
 | | PDK1 in complex with inhibitor MP6 | | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one | | 著者 | Yan, Y, Munshi, S.K, Allison, T. | | 登録日 | 2010-06-02 | | 公開日 | 2010-11-24 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
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4G1N
 | | PKM2 in complex with an activator | | 分子名称: | MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ... | | 著者 | Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C. | | 登録日 | 2012-07-10 | | 公開日 | 2012-10-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy.
Chem.Biol., 19, 2012
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1MXU
 | | CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) in complex with bromo-willardiine (Control for the crystal titration experiments) | | 分子名称: | 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION | | 著者 | Jin, R, Gouaux, E. | | 登録日 | 2002-10-03 | | 公開日 | 2003-06-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
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