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7UJ8
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BU of 7uj8 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen
分子名称: 4-HYDROXYTAMOXIFEN, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJF
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BU of 7ujf by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties
分子名称: (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJW
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Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities
分子名称: (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJM
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BU of 7ujm by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells
分子名称: (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJO
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BU of 7ujo by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411
分子名称: (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, MAGNESIUM ION
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJY
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BU of 7ujy by Molmil
Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time
分子名称: (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-31
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7TE7
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BU of 7te7 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with RAD1901
分子名称: (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor
著者Joiner, C, Hancock, G, Young, K, Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-01-04
公開日2022-01-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022
6V8T
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Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102
分子名称: Estrogen receptor, LSZ102
著者Fanning, S.W, Greene, G.L.
登録日2019-12-12
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
6VPF
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene
分子名称: Clomifene, Estrogen receptor
著者Fanning, S.W, Greene, G.L.
登録日2020-02-03
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
3C17
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BU of 3c17 by Molmil
Hexagonal Crystal Structure of Precursor E. coli Isoaspartyl Peptidase/l-Asparaginase (ECAIII) with Active-site T179A mutation
分子名称: CHLORIDE ION, L-asparaginase precursor, SODIUM ION
著者Michalska, K, Hernandez-Santoyo, A, Jaskolski, M.
登録日2008-01-22
公開日2008-04-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Mechanism of Autocatalytic Activation of Plant-type L-Asparaginases
J.Biol.Chem., 283, 2008
4EKF
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BU of 4ekf by Molmil
Structure of the Inactive Adenovirus Proteinase at 0.98 Angstrom Resolution
分子名称: Adenain, SODIUM ION
著者Baniecki, M.L, McGrath, W.J, Mangel, W.F.
登録日2012-04-09
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Regulation of a Viral Proteinase by a Peptide and DNA in One-dimensional Space: III. ATOMIC RESOLUTION STRUCTURE OF THE NASCENT FORM OF THE ADENOVIRUS PROTEINASE.
J.Biol.Chem., 288, 2013
3DA9
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BU of 3da9 by Molmil
Crystal structure of thrombin in complex with inhibitor
分子名称: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ...
著者Xue, Y, Hansson, S.K.
登録日2008-05-29
公開日2009-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Compounds binding to the S2-S3 pockets of thrombin.
J.Med.Chem., 52, 2009
8TU3
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Bruton's tyrosine kinase in complex with covalent inhibitor compound 10
分子名称: 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK
著者Metrick, C.M.
登録日2023-08-15
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
8TU5
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Bruton's tyrosine kinase in complex with covalent inhibitor compound 27
分子名称: 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK
著者Metrick, C.M.
登録日2023-08-15
公開日2024-06-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
8TU4
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Bruton's tyrosine kinase in complex with covalent inhibitor compound 25
分子名称: N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK
著者Metrick, C.M.
登録日2023-08-15
公開日2024-06-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
7JXX
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BU of 7jxx by Molmil
Structure of TTBK1 kinase domain in complex with Compound 3
分子名称: 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, SODIUM ION, Tau-tubulin kinase 1
著者Chodaprambil, J.V.
登録日2020-08-28
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
7JXY
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Structure of TTBK1 kinase domain in complex with Compound 18
分子名称: (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol, Tau-tubulin kinase 1
著者Chodaprambil, J.V.
登録日2020-08-28
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
7OJ9
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BU of 7oj9 by Molmil
NMR solution structure of SNX9 SH3 - EEEV nsP3 peptide complex
分子名称: EEEV nsP3 peptide, Sorting nexin-9
著者Tossavainen, H, Permi, P.
登録日2021-05-14
公開日2022-04-13
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure of SNX9 SH3 in complex with a viral ligand reveals the molecular basis of its unique specificity for alanine-containing class I SH3 motifs.
Structure, 30, 2022
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