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5B0L
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BU of 5b0l by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with beta-nonyl glucoside
分子名称: MoeN5,DNA-binding protein 7d, nonyl beta-D-glucopyranoside
著者Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
登録日2015-11-02
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
3ACX
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BU of 3acx by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-673
分子名称: Dehydrosqualene synthase, N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
3ACW
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BU of 3acw by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-651
分子名称: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
5B03
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BU of 5b03 by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with geranyl pyrophosphate
分子名称: GERANYL DIPHOSPHATE, MoeN5,DNA-binding protein 7d
著者Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
登録日2015-10-27
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
3ACY
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BU of 3acy by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702
分子名称: (1R)-4-[3-(2-benzylphenoxy)phenyl]-1-phosphonobutane-1-sulfonic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
5GQT
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BU of 5gqt by Molmil
Crystal structure of a specifier Protein from Arabidopsis thaliana
分子名称: Nitrile-specifier protein 1
著者Zhang, W, Feng, Y.
登録日2016-08-08
公開日2017-06-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.022 Å)
主引用文献Crystal structure of the nitrile-specifier protein NSP1 from Arabidopsis thaliana
Biochem. Biophys. Res. Commun., 488, 2017
3SH0
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BU of 3sh0 by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1065
分子名称: 2-(dodecyloxy)-6-hydroxybenzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
7YC5
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BU of 7yc5 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with K202.B bispecific antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain from K202.B, bispecific antibody, ...
著者Yoo, Y, Cho, H.S.
登録日2022-06-30
公開日2023-07-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Novel bispecific human antibody platform specifically targeting a fully open spike conformation potently neutralizes multiple SARS-CoV-2 variants.
Antiviral Res., 212, 2023
4FZD
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BU of 4fzd by Molmil
Crystal structure of MST4-MO25 complex with WSF motif
分子名称: C-terminal peptide from Serine/threonine-protein kinase MST4, Calcium-binding protein 39, GLYCEROL, ...
著者Shi, Z.B, Zhou, Z.C.
登録日2012-07-06
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
8TGN
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BU of 8tgn by Molmil
VMAT1 dimer with serotonin and reserpine
分子名称: Chromaffin granule amine transporter, SEROTONIN, reserpine
著者Ye, J, Liu, B, Li, W.
登録日2023-07-12
公開日2024-03-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGL
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BU of 8tgl by Molmil
VMAT1 dimer with norepinephrine and reserpine
分子名称: Chromaffin granule amine transporter, L-NOREPINEPHRINE, reserpine
著者Ye, J, Liu, B, Li, W.
登録日2023-07-12
公開日2024-03-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGI
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BU of 8tgi by Molmil
VMAT1 dimer with dopamine and reserpine
分子名称: Chromaffin granule amine transporter, L-DOPAMINE, reserpine
著者Ye, J, Liu, B, Li, W.
登録日2023-07-12
公開日2024-03-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGM
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BU of 8tgm by Molmil
VMAT1 dimer with reserpine
分子名称: VMAT1 dimer with reserpine, reserpine
著者Ye, J, Liu, B, Li, W.
登録日2023-07-12
公開日2024-03-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGG
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BU of 8tgg by Molmil
VMAT1 dimer with MPP+ and reserpine
分子名称: 1-methyl-4-phenylpyridin-1-ium, Chromaffin granule amine transporter, reserpine
著者Ye, J, Liu, B, Li, W.
登録日2023-07-12
公開日2024-03-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGH
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BU of 8tgh by Molmil
VMAT1 dimer with amphetamine and reserpine
分子名称: (2S)-1-phenylpropan-2-amine, Chromaffin granule amine transporter, reserpine
著者Ye, J, Liu, B, Li, W.
登録日2023-07-12
公開日2024-03-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGK
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BU of 8tgk by Molmil
VMAT1 dimer with histamine and reserpine
分子名称: Chromaffin granule amine transporter, HISTAMINE, reserpine
著者Ye, J, Liu, B, Li, W.
登録日2023-07-12
公開日2024-03-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
8TGJ
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BU of 8tgj by Molmil
VMAT1 dimer in unbound form and with reserpine
分子名称: VMAT1 dimer in unbound form and with reserpine, reserpine
著者Ye, J, Liu, B, Li, W.
登録日2023-07-12
公開日2024-03-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
3SGV
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BU of 3sgv by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1290
分子名称: 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SGX
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BU of 3sgx by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1100
分子名称: 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2011-06-15
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TH8
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BU of 3th8 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063
分子名称: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
著者Cao, R, Zhu, W, Zhang, Y, Oldfield, E.
登録日2011-08-18
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
5XVA
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BU of 5xva by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH216
分子名称: ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVG
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BU of 5xvg by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH226
分子名称: 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ...
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
5XVF
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BU of 5xvf by Molmil
Crystal Structure of PAK4 in complex with inhibitor CZH062
分子名称: 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4
著者Zhao, F, Li, H.
登録日2017-06-27
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
4FZA
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BU of 4fza by Molmil
Crystal structure of MST4-MO25 complex
分子名称: Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4
著者Shi, Z.B, Zhou, Z.C.
登録日2012-07-06
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013

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