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7VG8
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BU of 7vg8 by Molmil
TYLCV Rep-DNA
分子名称: DNA (5'-((DT)P*(DA)P*(DA)P*(DT)P*(DA)P*(DT)P*(DT)P*(DA)*(DC)P*)-3'), MANGANESE (II) ION, Replication-associated protein
著者Zhang, S.Y, Wang, C.N.
登録日2021-09-14
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献structure of TYLCV Rep complexed with ssDNA
To Be Published
7X27
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BU of 7x27 by Molmil
MERS-CoV spike complex
分子名称: Spike glycoprotein
著者Zeng, J.W, Zhang, S.Y, Wang, X.W.
登録日2022-02-25
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献cryo-EM structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein
To Be Published
3O4O
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BU of 3o4o by Molmil
Crystal structure of an Interleukin-1 receptor complex
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, Interleukin-1 beta, ...
著者Wang, X.Q, Wang, D.L, Zhang, S.Y, Li, L, Liu, X, Mei, K.R.
登録日2010-07-27
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural insights into the assembly and activation of IL-1beta with its receptors
Nat.Immunol., 11, 2010
7Y1I
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BU of 7y1i by Molmil
Crystal Structure of TTR-G67R
分子名称: Transthyretin
著者Luan, X.D, Chen, B.X, Zhang, S.Y.
登録日2022-06-08
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal Structure of TTR-G67R
To Be Published
7C8U
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BU of 7c8u by Molmil
The crystal structure of COVID-19 main protease in complex with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The crystal structure of COVID-19 main protease in complex with GC376
To Be Published
6DXG
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BU of 6dxg by Molmil
amidobenzimidazole (ABZI) STING agonists
分子名称: 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein
著者Concha, N.O.
登録日2018-06-28
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
6DXL
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BU of 6dxl by Molmil
Linked amidobenzimidazole STING agonist
分子名称: 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein
著者Concha, N.O.
登録日2018-06-29
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
3URF
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BU of 3urf by Molmil
Human RANKL/OPG complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 11, soluble form, ...
著者Wang, X.Q, Luan, X.D, Lu, Q.Y.
登録日2011-11-22
公開日2012-07-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Crystal Structure of Human RANKL Complexed with Its Decoy Receptor Osteoprotegerin
J.Immunol., 189, 2012
8JFJ
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Crystal structure of enoyl-ACP reductase FabI from Helicobacter pylori
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFN
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Crystal structure of enoyl-ACP reductase FabI in complex with NAD+ and crotonyl-ACP from Helicobacter pylori
分子名称: Acyl carrier protein, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFM
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Crystal structure of enoyl-ACP reductase FabI in complex with NADH from Helicobacter pylori
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Song, W.Y, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFG
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BU of 8jfg by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JF9
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BU of 8jf9 by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase
著者Zhou, J.S, Zhang, L.
登録日2023-05-17
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFA
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BU of 8jfa by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADPH from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhou, J.S, Zhang, L.
登録日2023-05-17
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFH
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BU of 8jfh by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori in an inactive form that priors the acyl substrate delivery
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFI
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BU of 8jfi by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-hexanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhou, J.S, Zhang, L.
登録日2023-05-18
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
5YH5
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BU of 5yh5 by Molmil
The crystal structure of Staphylococcus aureus CntA in apo form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nickel ABC transporter substrate-binding protein
著者Song, L, Ji, Q.
登録日2017-09-27
公開日2018-03-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YHG
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BU of 5yhg by Molmil
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and zinc
分子名称: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, ACETATE ION, CHLORIDE ION, ...
著者Ji, Q, Song, L.
登録日2017-09-28
公開日2018-03-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YH8
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The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and nickel
分子名称: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ji, Q, Song, L.
登録日2017-09-27
公開日2018-03-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YHE
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BU of 5yhe by Molmil
The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and cobalt
分子名称: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, ACETATE ION, CHLORIDE ION, ...
著者Song, L, Ji, Q.
登録日2017-09-28
公開日2018-03-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.465 Å)
主引用文献Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3E8C
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BU of 3e8c by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-11-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E87
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Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8D
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BU of 3e8d by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8E
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BU of 3e8e by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-11-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E88
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Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
分子名称: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
著者Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
登録日2008-08-19
公開日2008-10-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009

 

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