5SWT
 
 | | Crystal Structure of PI3Kalpha in complex with fragments 17 and 27 | | 分子名称: | 3-fluoro-4-methoxyaniline, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | 登録日 | 2016-08-08 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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5SXC
 | | Crystal Structure of PI3Kalpha in complex with fragment 8 | | 分子名称: | 5-FLUOROURACIL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | 登録日 | 2016-08-09 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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5SX8
 | | Crystal Structure of PI3Kalpha in complex with fragments 12 and 15 | | 分子名称: | 6-methylpyridin-2-amine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | 登録日 | 2016-08-09 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.47 Å) | | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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5SXJ
 | | Crystal Structure of PI3Kalpha in complex with fragment 29 | | 分子名称: | BENZHYDROXAMIC ACID, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | 登録日 | 2016-08-09 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.42 Å) | | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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5SXF
 | | Crystal Structure of PI3Kalpha in complex with fragment 9 | | 分子名称: | HYDROXYPHENYL PROPIONIC ACID, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | 登録日 | 2016-08-09 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.46 Å) | | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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5SXK
 | | Crystal Structure of PI3Kalpha in complex with fragment 18 | | 分子名称: | 2-methylbenzene-1,3-diamine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | 登録日 | 2016-08-09 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
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3MIF
 | | Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound carbon monooxide (CO) | | 分子名称: | CARBON MONOXIDE, COPPER (II) ION, GLYCEROL, ... | | 著者 | Siebert, X, Chufan, E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-10 | | 公開日 | 2010-11-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
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3MLL
 | | Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide | | 分子名称: | AZIDE ION, COPPER (II) ION, NICKEL (II) ION, ... | | 著者 | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-16 | | 公開日 | 2011-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Differential reactivity between two copper sites in peptidylglycine alpha-hydroxylating monooxygenase
J.Am.Chem.Soc., 132, 2010
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3MIC
 | | Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide obtained by co-crystallization | | 分子名称: | AZIDE ION, COPPER (II) ION, GLYCEROL, ... | | 著者 | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-10 | | 公開日 | 2010-11-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
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3MIB
 | | Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound nitrite | | 分子名称: | COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ... | | 著者 | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-10 | | 公開日 | 2010-11-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
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3MIE
 | | Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide obtained by soaking (50mM NaN3) | | 分子名称: | AZIDE ION, COPPER (II) ION, GLYCEROL, ... | | 著者 | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-10 | | 公開日 | 2010-11-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.26 Å) | | 主引用文献 | Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
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3MID
 | | Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide obtained by soaking (100mM NaN3) | | 分子名称: | AZIDE ION, COPPER (II) ION, GLYCEROL, ... | | 著者 | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-10 | | 公開日 | 2010-11-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
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3MIH
 | | Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide, obtained in the presence of substrate | | 分子名称: | AZIDE ION, COPPER (II) ION, IODIDE ION, ... | | 著者 | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-10 | | 公開日 | 2010-11-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
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3MLK
 | | Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound nitrite | | 分子名称: | COPPER (II) ION, NICKEL (II) ION, NITRITE ION, ... | | 著者 | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-16 | | 公開日 | 2011-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Differential reactivity between two copper sites in peptidylglycine alpha-hydroxylating monooxygenase
J.Am.Chem.Soc., 132, 2010
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3MLJ
 | | Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound carbon monooxide (CO) | | 分子名称: | ACETATE ION, CARBON MONOXIDE, COPPER (II) ION, ... | | 著者 | Prigge, S.T, Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-16 | | 公開日 | 2011-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Differential reactivity between two copper sites in peptidylglycine alpha-hydroxylating monooxygenase
J.Am.Chem.Soc., 132, 2010
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3MIG
 | | Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound nitrite, obtained in the presence of substrate | | 分子名称: | COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ... | | 著者 | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | 登録日 | 2010-04-10 | | 公開日 | 2010-11-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
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3MSV
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3NLS
 | | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 | | 分子名称: | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Gabelli, S.B, Kawasaki, Y, Freire, E, Amzel, L.M. | | 登録日 | 2010-06-21 | | 公開日 | 2011-09-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of HIV-1 Protease in Complex with KNI-10772
To be Published
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3NPE
 | | Structure of VP14 in complex with oxygen | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 9-cis-epoxycarotenoid dioxygenase 1, chloroplastic, ... | | 著者 | Messing, S.A, Gabelli, S.B, Amzel, L.M. | | 登録日 | 2010-06-28 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural insights into maize viviparous14, a key enzyme in the biosynthesis of the phytohormone abscisic acid.
Plant Cell, 22, 2010
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3D62
 | | Development of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3CLpro | | 分子名称: | 3C-like proteinase, benzyl (2-oxopropyl)carbamate | | 著者 | Bacha, U, Barrila, J, Gabelli, S.B, Kiso, Y, Amzel, L.M, Freire, E. | | 登録日 | 2008-05-18 | | 公開日 | 2008-07-01 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Development of broad-spectrum halomethyl ketone inhibitors against coronavirus main protease 3CL(pro).
Chem.Biol.Drug Des., 72, 2008
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3KDB
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006 | | 分子名称: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | 著者 | Chufan, E.E, Lafont, V, Freire, E, Amzel, L.M. | | 登録日 | 2009-10-22 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
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3KDC
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10074 | | 分子名称: | (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, CHLORIDE ION, GLYCEROL, ... | | 著者 | Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M. | | 登録日 | 2009-10-22 | | 公開日 | 2010-03-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
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3KDD
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10265 | | 分子名称: | (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease | | 著者 | Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M. | | 登録日 | 2009-10-22 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
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