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7K3L
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BU of 7k3l by Molmil
Crystal structure of dLC8 in complex with Panoramix TQ peptide
分子名称: 1,2-ETHANEDIOL, Dynein light chain 1, cytoplasmic, ...
著者Wang, J, Patel, D.J.
登録日2020-09-11
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Molecular principles of Piwi-mediated cotranscriptional silencing through the dimeric SFiNX complex.
Genes Dev., 35, 2021
4L3P
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BU of 4l3p by Molmil
Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1
分子名称: 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
著者Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M.
登録日2013-06-06
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
6IZ2
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BU of 6iz2 by Molmil
Crystal structure of DinB/YfiT protein DR0053 from D. radiodurans R1
分子名称: ACETATE ION, DinB/YfiT family protein, ZINC ION
著者Kim, M.-K, Zhang, J, Zhao, L.
登録日2018-12-18
公開日2019-05-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献Crystal structure of the highly radiation-inducible DinB/YfiT superfamily protein DR0053 from Deinococcus radiodurans R1.
Biochem.Biophys.Res.Commun., 513, 2019
7KJ2
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BU of 7kj2 by Molmil
SARS-CoV-2 Spike Glycoprotein with one ACE2 Bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
登録日2020-10-25
公開日2020-11-11
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
7KJ4
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BU of 7kj4 by Molmil
SARS-CoV-2 Spike Glycoprotein with three ACE2 Bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
登録日2020-10-25
公開日2020-11-11
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
2LY0
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BU of 2ly0 by Molmil
Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332
分子名称: (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2
著者Wu, Y, Wang, J, DeGrado, W.
登録日2012-09-10
公開日2013-01-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
7V3P
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BU of 7v3p by Molmil
Cryo-EM structure of the IGF1R/insulin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Zhang, J, Liu, C, Zhang, X, Wei, T, Wu, C.
登録日2021-08-11
公開日2022-08-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of the IGF1R/insulin complex
To Be Published
8HGU
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BU of 8hgu by Molmil
Epoxide hydrolase from Bosea sp. PAMC 26642
分子名称: Alpha/beta hydrolase
著者Lee, M.J, Hwang, J, Do, H, Lee, J.H.
登録日2022-11-15
公開日2023-11-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural insights into the distinct substrate preferences of two bacterial epoxide hydrolases.
Int.J.Biol.Macromol., 264, 2024
5E85
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BU of 5e85 by Molmil
isolated SBD of BiP
分子名称: 78 kDa glucose-regulated protein, SULFATE ION
著者Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L.
登録日2015-10-13
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP.
Structure, 23, 2015
4L53
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BU of 4l53 by Molmil
Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ...
著者Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
登録日2013-06-10
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
7UK1
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BU of 7uk1 by Molmil
Complex Structure of Human Polypyrimidine Splicing Factor (PSF/SFPQ) with Murine Virus-like 30S Transcript-1 (VS30-1) Reveals Cooperative Binding of RNA
分子名称: MAGNESIUM ION, Splicing factor, proline- and glutamine-rich
著者Lomakin, I.B, Wang, J.
登録日2022-03-31
公開日2022-09-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insight into the Tumor Suppression Mechanism from the Structure of Human Polypyrimidine Splicing Factor (PSF/SFPQ) Complexed with a 30mer RNA from Murine Virus-like 30S Transcript-1.
Biochemistry, 61, 2022
7UJ1
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BU of 7uj1 by Molmil
Crystal structure of PSF-RNA complex
分子名称: RNA (30-MER), Splicing factor, proline- and glutamine-rich
著者Sachpatzidis, A, Wang, J, Konigsberg, W.H.
登録日2022-03-30
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Insight into the Tumor Suppression Mechanism from the Structure of Human Polypyrimidine Splicing Factor (PSF/SFPQ) Complexed with a 30mer RNA from Murine Virus-like 30S Transcript-1.
Biochemistry, 61, 2022
4GVA
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BU of 4gva by Molmil
ADP-bound form of the ERK2 kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Mitogen-activated protein kinase 1
著者Pozharski, E, Zhang, J, Shapiro, P.
登録日2012-08-30
公開日2012-09-12
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献ADP-bound form of the ERK2 kinase
TO BE PUBLISHED
6KIX
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BU of 6kix by Molmil
Cryo-EM structure of human MLL1-NCP complex, binding mode1
分子名称: DNA (145-MER), GLUTAMINE, Histone H2A, ...
著者Huang, J, Xue, H, Yao, T.
登録日2019-07-20
公開日2019-09-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
4L52
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BU of 4l52 by Molmil
Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1
分子名称: 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
著者Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
登録日2013-06-10
公開日2013-07-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
5GPH
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BU of 5gph by Molmil
Solution structure of the Pin1-PPIase (S138A) mutant
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Tochio, N, Wang, J, Tate, S.
登録日2016-08-02
公開日2017-08-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the Pin1-PPIase (S138A) mutant
To Be Published
4GSB
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BU of 4gsb by Molmil
Monoclinic crystal form of the apo-ERK2
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Pozharski, E, Zhang, J, Shapiro, P.
登録日2012-08-27
公開日2012-09-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Monoclinic crystal form of the apo-ERK2
TO BE PUBLISHED
5H2Z
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BU of 5h2z by Molmil
Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Wu, D, Huang, J.
登録日2016-10-19
公開日2017-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
To Be Published
6KIW
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BU of 6kiw by Molmil
Cryo-EM structure of human MLL3-ubNCP complex (4.0 angstrom)
分子名称: DNA (144-MER), DNA (145-MER), Histone H2A, ...
著者Huang, J, Xue, H, Yao, T.
登録日2019-07-20
公開日2019-09-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
7KJ3
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BU of 7kj3 by Molmil
SARS-CoV-2 Spike Glycoprotein with two ACE2 Bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
登録日2020-10-25
公開日2020-11-11
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
7KJ5
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BU of 7kj5 by Molmil
SARS-CoV-2 Spike Glycoprotein, prefusion with one RBD up conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
登録日2020-10-25
公開日2020-11-11
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
5UY8
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BU of 5uy8 by Molmil
Crystal structure of AICARFT bound to an antifolate
分子名称: 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ...
著者Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D.
登録日2017-02-23
公開日2018-01-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
6KIV
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BU of 6kiv by Molmil
Cryo-EM structure of human MLL1-ubNCP complex (4.0 angstrom)
分子名称: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
著者Huang, J, Xue, H, Yao, T.
登録日2019-07-20
公開日2019-09-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
6KIZ
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BU of 6kiz by Molmil
Cryo-EM structure of human MLL1-NCP complex, binding mode2
分子名称: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
著者Huang, J, Xue, H, Yao, T.
登録日2019-07-20
公開日2019-09-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
6KIU
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BU of 6kiu by Molmil
Cryo-EM structure of human MLL1-ubNCP complex (3.2 angstrom)
分子名称: DNA (145-MER), GLUTAMINE, Histone H2A, ...
著者Huang, J, Xue, H, Yao, T.
登録日2019-07-20
公開日2019-09-11
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019

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