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4N9D
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BU of 4n9d by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ...
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9C
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BU of 4n9c by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4Y33
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BU of 4y33 by Molmil
Crystal of NO66 in complex with Ni(II)and N-oxalylglycine (NOG)
分子名称: Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, N-OXALYLGLYCINE, NICKEL (II) ION
著者Wang, C, Zhang, Q, Zang, J.
登録日2015-02-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
4Y4R
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BU of 4y4r by Molmil
Crystal structure of ribosomal oxygenase NO66 dimer mutant
分子名称: ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, NICKEL (II) ION
著者Wang, C, Hang, T, Zang, J.
登録日2015-02-11
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
4Y3O
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BU of 4y3o by Molmil
Crystal structure of Ribosomal oxygenase NO66 in complex with substrate Rpl8 peptide and Ni(II) and cofactor N-oxalyglycine
分子名称: ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, GLYCEROL, ...
著者Wang, C, Zhang, Q, Zang, J.
登録日2015-02-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
5IT3
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BU of 5it3 by Molmil
Swirm domain of human Lsd1
分子名称: Lysine-specific histone demethylase 1A, MAGNESIUM ION
著者Jeffrey, P.D, Yuan, P.
登録日2016-03-16
公開日2016-05-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Tlx-interacting peptide of Lsd1 inhibits the proliferation of brain tumor stem cells
To Be Published
7BZA
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BU of 7bza by Molmil
Template lasso peptide C24
分子名称: lasso peptide
著者Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
登録日2020-04-27
公開日2021-04-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
7BZ8
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BU of 7bz8 by Molmil
Template lasso peptide C24 mutant V3A
分子名称: lasso peptide
著者Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
登録日2020-04-27
公開日2021-04-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
7BZ7
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BU of 7bz7 by Molmil
Template lasso peptide C24 mutant F15Y
分子名称: lasso peptide
著者Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
登録日2020-04-27
公開日2021-04-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
5UQ9
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BU of 5uq9 by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
著者Leonard, P.G.
登録日2017-02-07
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
7BZ9
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BU of 7bz9 by Molmil
Template lasso peptide C24 mutant I4A
分子名称: lasso peptide
著者Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
登録日2020-04-27
公開日2021-04-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
8Y16
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BU of 8y16 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron JN.1 spike protein in complex with human ACE2
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Li, L.J, Gu, Y.H, Qi, J.X, Gao, G.F.
登録日2024-01-23
公開日2024-07-03
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
8XN5
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BU of 8xn5 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron EG.5.1 spike protein(6P) in complex with human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ...
著者Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
登録日2023-12-29
公開日2024-07-03
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
8XMG
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BU of 8xmg by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron HV.1 spike protein(6P), RBD-closed state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
登録日2023-12-27
公開日2024-07-03
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
8XNF
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BU of 8xnf by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2.86 spike protein(6P) in complex with human ACE2
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Li, L.J, Gu, Y.H, Shi, K.Y, Qi, J.X, Gao, G.F.
登録日2023-12-29
公開日2024-07-03
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Spike structures, receptor binding, and immune escape of recently circulating SARS-CoV-2 Omicron BA.2.86, JN.1, EG.5, EG.5.1, and HV.1 sub-variants.
Structure, 32, 2024
6ITA
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BU of 6ita by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-20
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6ISM
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BU of 6ism by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-16
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
7CRN
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BU of 7crn by Molmil
The Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization
分子名称: Non-ribosomal peptide synthetase 4
著者Yu, J.H, Song, J, Chi, C.B, Ma, M.
登録日2020-08-14
公開日2021-08-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Acs Catalysis, 11, 2021
6J0L
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BU of 6j0l by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion
分子名称: Butyrophilin subfamily 3 member A3, SULFATE ION
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J0K
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BU of 6j0k by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J0G
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BU of 6j0g by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J06
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BU of 6j06 by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08
分子名称: (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1, CALCIUM ION, ...
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
7DXO
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BU of 7dxo by Molmil
The mutant of bifunctional thioesterase catalyzing epimerization and cyclization
分子名称: Non-ribosomal peptide synthetase 4
著者Yu, J.H, Song, J, Chi, C.B, Ma, M.
登録日2021-01-19
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional Characterization and Crystal Structure of the Bifunctional Thioesterase Catalyzing Epimerization and Cyclization in Skyllamycin Biosynthesis
Acs Catalysis, 11, 2021
7CU6
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BU of 7cu6 by Molmil
lasso peptide C24 mutant - A11V2C
分子名称: lasso peptide C24_A11V2C
著者Ma, M, Liu, X.H.
登録日2020-08-21
公開日2021-08-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
5I8H
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BU of 5i8h by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer in Complex with V3 Loop-targeting Antibody PGT122 Fab and Fusion Peptide-targeting Antibody VRC34.01 Fab
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, BG505 SOSIP.664 gp120, ...
著者Xu, K, Zhou, T, Kwong, P.D.
登録日2016-02-18
公開日2016-05-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4.301 Å)
主引用文献Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016

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