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6M4H
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BU of 6m4h by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
分子名称: DNA (103-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ...
著者Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
登録日2020-03-07
公開日2020-09-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
6M4D
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BU of 6m4d by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
分子名称: DNA (125-MER), Histone H2A.V, Histone H2B type 2-E, ...
著者Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
登録日2020-03-06
公開日2020-09-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
5J9Q
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BU of 5j9q by Molmil
Crystal structure of the NuA4 core complex
分子名称: Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ...
著者Chen, Z.C, Xu, P.
登録日2016-04-11
公開日2016-10-26
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
2PM1
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BU of 2pm1 by Molmil
Derivative of human alpha-defensin 1 (HNP1)
分子名称: Neutrophil defensin 1 (HNP-1) (HP-1) (HP1) (Defensin, alpha 1)
著者Lubkowski, J, Pazgier, M, Lu, W.
登録日2007-04-20
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Derivative of human alpha-defensin 1 (HNP1)
To be Published
5KGW
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BU of 5kgw by Molmil
HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION
著者Feng, L, Kobe, M, Kvaratskhelia, M.
登録日2016-06-13
公開日2016-10-19
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
6VWV
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BU of 6vwv by Molmil
Transitional unit cell 2 of adenine riboswitch aptamer crystal phase transition upon ligand binding
分子名称: ADENINE, MAGNESIUM ION, POTASSIUM ION, ...
著者Stagno, J.R, Wang, Y.-X.
登録日2020-02-20
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
5KGX
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BU of 5kgx by Molmil
HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
分子名称: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION
著者Feng, L, Kobe, M, Kvaratskhelia, M.
登録日2016-06-13
公開日2016-10-19
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
5KQA
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BU of 5kqa by Molmil
Crystal structure of buckwheat glutaredoxin-glutathione complex
分子名称: GLUTATHIONE, Glutaredoxin-glutathione complex
著者Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
登録日2016-07-06
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
2PM5
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BU of 2pm5 by Molmil
Human alpha-defensin 1 derivative (HNP1)
分子名称: Neutrophil defensin 1 (HNP-1) (HP-1) (HP1) (Defensin, alpha 1), PHOSPHATE ION
著者Lubkowski, J, Pazgier, M, Lu, W.
登録日2007-04-20
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human alpha-defensin 1 derivative (HNP1)
To be Published
6VWT
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BU of 6vwt by Molmil
Transitional unit cell 1 of adenine riboswitch aptamer crystal phase transition upon ligand binding
分子名称: ADENINE, MAGNESIUM ION, adenine riboswitch aptamer variant
著者Stagno, J.R, Wang, Y.-X.
登録日2020-02-20
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
9AXH
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BU of 9axh by Molmil
Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Quade, B, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
9AXY
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BU of 9axy by Molmil
Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ...
著者Quade, B, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
9AY7
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BU of 9ay7 by Molmil
Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Quade, B, Huang, X.
登録日2024-03-07
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
9AXM
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BU of 9axm by Molmil
Crystal structure of ARAF/MEK1 complex with NST-628 and a RAF dimer
分子名称: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ...
著者Quade, B, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
9AXC
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BU of 9axc by Molmil
Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide
著者Quade, B, Cohen, S.E, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
9AXX
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BU of 9axx by Molmil
Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Quade, B, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
8VPG
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BU of 8vpg by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(dimethylamino)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
9AYA
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BU of 9aya by Molmil
Crystal structure of CRAF/MEK complex with NST-628 and active RAF dimer
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ...
著者Quade, B, Huang, X.
登録日2024-03-07
公開日2024-04-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
9AXA
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BU of 9axa by Molmil
CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628
分子名称: 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ...
著者Quade, B, Cohen, S.E, Huang, X.
登録日2024-03-06
公開日2024-04-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.36 Å)
主引用文献The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
8VPH
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BU of 8vph by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455 and Inhibitor MC4741
分子名称: DNA Strand I, DNA Strand II, N-(3-phenylpropyl)adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8I4F
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BU of 8i4f by Molmil
Omicron spike variant XBB with n3130v-Fc
分子名称: Spike glycoprotein, n3130v-Fc
著者Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
登録日2023-01-19
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
8I4G
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BU of 8i4g by Molmil
Omicron spike variant BQ.1.1 with n3130v-Fc
分子名称: Spike glycoprotein, n3130v-Fc
著者Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
登録日2023-01-19
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
8I4E
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BU of 8i4e by Molmil
Omicron spike variant XBB with Bn03
分子名称: Bn03, Spike glycoprotein
著者Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
登録日2023-01-19
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
分子名称: 3372H, 3372L, Spike protein S1
著者Liu, P.L.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022

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件を2024-10-16に公開中

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