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6L17
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BU of 6l17 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-09-02
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L11
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BU of 6l11 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L13
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BU of 6l13 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L14
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BU of 6l14 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L15
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BU of 6l15 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L12
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BU of 6l12 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
4O1V
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BU of 4o1v by Molmil
SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein
著者Calabrese, M.F, Watson, E.R, Schulman, B.A.
登録日2013-12-16
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
2YWP
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BU of 2ywp by Molmil
Crystal Structure of CHK1 with a Urea Inhibitor
分子名称: 1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA, Serine/threonine-protein kinase Chk1
著者Park, C.
登録日2007-04-21
公開日2007-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis and biological evaluation of 1-(2,4,5-trisubstituted phenyl)-3-(5-cyanopyrazin-2-yl)ureas as potent Chk1 kinase inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
6KZ6
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BU of 6kz6 by Molmil
Crystal structure of ASFV dUTPase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R, MAGNESIUM ION
著者Guo, Y, Chen, C, Li, G.B, Cao, L, Wang, C.W.
登録日2019-09-23
公開日2019-11-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Structural Insight into African Swine Fever Virus dUTPase Reveals a Novel Folding Pattern in the dUTPase Family.
J.Virol., 94, 2020
2K29
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BU of 2k29 by Molmil
Structure of the DBD domain of E. coli antitoxin RelB
分子名称: Antitoxin RelB
著者Li, G, Zhang, Y, Inouye, M, Ikura, M.
登録日2008-03-28
公開日2008-04-22
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural mechanism of transcriptional autorepression of the Escherichia coli RelB/RelE antitoxin/toxin module.
J.Mol.Biol., 380, 2008
2KC9
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BU of 2kc9 by Molmil
Structure of E. coli toxin RelE (R81A/R83A) mutant in the free state
分子名称: Toxin relE
著者Li, G, Zhang, Y, Inouye, M, Ikura, M.
登録日2008-12-17
公開日2009-03-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Inhibitory mechanism of Escherichia coli RelE-RelB toxin-antitoxin module involves a helix displacement near an mRNA interferase active site.
J.Biol.Chem., 284, 2009
2KC8
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BU of 2kc8 by Molmil
Structure of E. coli toxin RelE (R81A/R83A) mutant in complex with antitoxin RelBc (K47-L79) peptide
分子名称: Antitoxin RelB, Toxin relE
著者Li, G, Zhang, Y, Inouye, M, Ikura, M.
登録日2008-12-17
公開日2009-03-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Inhibitory mechanism of Escherichia coli RelE-RelB toxin-antitoxin module involves a helix displacement near an mRNA interferase active site.
J.Biol.Chem., 284, 2009
7XV9
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BU of 7xv9 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain
分子名称: Nuclear receptor subfamily 2 group C member 2, ZINC ION
著者Liu, Y, Chen, Z.
登録日2022-05-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7XV8
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BU of 7xv8 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain Homodimer Bound to DR1 Response Element
分子名称: DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*A)-3'), Nuclear receptor subfamily 2 group C member 2, ...
著者Liu, Y, Chen, Z.
登録日2022-05-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7XV6
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BU of 7xv6 by Molmil
Crystal structure of the Human TR4 DNA-Binding Domain with C-terminal extension (DBD-CTE) Homodimer Bound to DR1 Response Element
分子名称: DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*A)-3'), NR2C2 protein, ...
著者Liu, Y, Chen, Z.
登録日2022-05-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
7XVA
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BU of 7xva by Molmil
Crystal structure of the Human TR4 Ligand Binding Domain in complex with the JAZF1 corepressor fragment
分子名称: Juxtaposed with another zinc finger protein 1, Nuclear receptor subfamily 2 group C member 2
著者Liu, Y, Chen, Z.
登録日2022-05-21
公開日2022-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
8J6T
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BU of 8j6t by Molmil
Cryo-EM structure of the double CAF-1 bound right-handed Di-tetrasome
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-04-26
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
8J6S
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BU of 8j6s by Molmil
Cryo-EM structure of the single CAF-1 bound right-handed Di-tetrasome
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-04-26
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
8IQF
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BU of 8iqf by Molmil
Cryo-EM structure of the dimeric human CAF1-H3-H4 complex
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-03-16
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
8IQG
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BU of 8iqg by Molmil
Cryo-EM structure of the monomeric human CAF1-H3-H4 complex
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-03-16
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
8J2F
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BU of 8j2f by Molmil
Human neutral shpingomyelinase
分子名称: HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ...
著者Zhang, S.S.
登録日2023-04-14
公開日2023-12-06
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2).
Nat Commun, 14, 2023
6E69
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BU of 6e69 by Molmil
Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments
分子名称: 2-(fluorosulfonyl)benzene-1-sulfonic acid, 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Wolan, D.W, Woehl, J.L, Kitamura, S.
登録日2018-07-24
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
7YDG
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BU of 7ydg by Molmil
Crystal structure of human SARS2 catalytic domain with a disease related mutation
分子名称: Serine--tRNA ligase, mitochondrial
著者Wu, S, Li, P, Zhou, X.L, Fang, P.
登録日2022-07-04
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
7YDF
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BU of 7ydf by Molmil
Crystal structure of human SARS2 catalytic domain
分子名称: Serine--tRNA ligase, mitochondrial
著者Wu, S, Li, P, Zhou, X.L, Fang, P.
登録日2022-07-04
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
7XSV
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BU of 7xsv by Molmil
Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3
分子名称: 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1
著者Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H.
登録日2022-05-15
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022

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