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3IPS
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BU of 3ips by Molmil
X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha
分子名称: Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ...
著者Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M.
登録日2009-08-18
公開日2010-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
3IPU
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BU of 3ipu by Molmil
X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha
分子名称: 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
著者Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M.
登録日2009-08-18
公開日2010-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
3IPQ
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BU of 3ipq by Molmil
X-ray structure of GW3965 synthetic agonist bound to the LXR-alpha
分子名称: Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ...
著者Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M.
登録日2009-08-18
公開日2010-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
9CSG
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BU of 9csg by Molmil
Human Serum Albumin Bound to Cerastecin Compound 5e
分子名称: 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid, Albumin, MYRISTIC ACID
著者Hruza, A, Klein, D.J, Ishchenko, A.
登録日2024-07-23
公開日2024-09-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
9CSI
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BU of 9csi by Molmil
A. baumannii MsbA Bound to Cerastecin Compound 5
分子名称: 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ...
著者Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M.
登録日2024-07-23
公開日2024-09-04
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
5HJP
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BU of 5hjp by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
分子名称: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ...
著者Parthasarathy, G, Klein, D.
登録日2016-01-13
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
5HJS
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Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
分子名称: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
著者Parthasarathy, G, Klein, D.
登録日2016-01-13
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
6X4H
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BU of 6x4h by Molmil
Sortilin-Progranulin Interaction With Compound 24
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ...
著者Parthasarathy, G, Soisson, S.M, Klein, D.
登録日2020-05-22
公開日2020-08-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
6X3L
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BU of 6x3l by Molmil
Sortilin-Progranulin Interaction With Compound 2
分子名称: 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Parthasarathy, G, Soisson, S.M.
登録日2020-05-21
公開日2020-08-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
6X48
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BU of 6x48 by Molmil
Sortilin-Progranulin Interaction With Compound 17
分子名称: GLYCEROL, N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine, Sortilin, ...
著者Parthasarathy, G, Soisson, S.M.
登録日2020-05-22
公開日2020-08-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
8VQ2
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BU of 8vq2 by Molmil
HSV1 polymerase ternary complex with dsDNA and compound 44
分子名称: 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide, DNA (5'-D(P*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*T)-3'), ...
著者Hayes, R.P, Heo, M.R, Plotkin, M.
登録日2024-01-17
公開日2024-08-28
実験手法X-RAY DIFFRACTION (3.829 Å)
主引用文献Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships.
Acs Med.Chem.Lett., 15, 2024
5KML
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BU of 5kml by Molmil
TrkA JM-kinase with 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
分子名称: 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMK
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BU of 5kmk by Molmil
TrkA JM-kinase with 2-fluoro-{N}-[2-(4-fluorophenyl)-6-methyl-3-pyridyl]-4-(trifluoromethyl)benzamide
分子名称: 2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMN
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TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
分子名称: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMO
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BU of 5kmo by Molmil
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea
分子名称: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMM
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TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(1-naphthyl)urea
分子名称: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMI
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BU of 5kmi by Molmil
TrkA JM-kinase with 1-(9{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
分子名称: 1-(9~{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea, High affinity nerve growth factor receptor
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMJ
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TrkA JM-kinase with {N}-(2-pyridylmethyl)-2-[2-(2-thienyl)indol-1-yl]acetamide
分子名称: High affinity nerve growth factor receptor, ~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
著者Su, H.P.
登録日2016-06-27
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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