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5EA4
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Crystal Structure of Inhibitor JNJ-49153390 in Complex with Prefusion RSV F Glycoprotein
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[[5-bromanyl-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-imidazo[4,5-c]pyridin-2-one, Fusion glycoprotein F0, ...
著者Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P.
登録日2015-10-15
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Nat.Chem.Biol., 12, 2016
5EA3
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Crystal Structure of Inhibitor JNJ-2408068 in Complex with Prefusion RSV F Glycoprotein
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol, Fusion glycoprotein F0, ...
著者Battles, M.B, McLellan, J.S, Arnoult, E, Langedijk, J.P, Roymans, D.
登録日2015-10-15
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Nat.Chem.Biol., 12, 2016
6PEB
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BU of 6peb by Molmil
Crystal Structure of human NAMPT in complex with NVP-LTM976
分子名称: N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Weihofen, W.A.
登録日2019-06-20
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).
Acs Med.Chem.Lett., 10, 2019
6LH8
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BU of 6lh8 by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-07
公開日2020-06-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
6LHZ
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BU of 6lhz by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-10
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
5W9J
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BU of 5w9j by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称: G4 VH, G4 VL, Spike glycoprotein
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9P
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MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称: G4 VH, G4 VL, Spike glycoprotein
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2020-01-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9M
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MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称: G4 VH, G4 VL, Spike glycoprotein
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9I
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MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
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, G4 VH, ...
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9O
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BU of 5w9o by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称: G4 VH, G4 VL, Spike glycoprotein
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2020-01-01
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9L
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BU of 5w9l by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
分子名称: G4 VH, G4 VL, Spike glycoprotein
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W9H
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BU of 5w9h by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
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, G4 VH, ...
著者Pallesen, J, Ward, A.B.
登録日2017-06-23
公開日2017-08-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
6DXG
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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
3MOW
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BU of 3mow by Molmil
Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
分子名称: (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, Tyrosine-protein phosphatase non-receptor type 11
著者Zhang, Z.-Y, Liu, S, Yu, Z, Yu, X.
登録日2010-04-23
公開日2011-05-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
To be Published
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
分子名称: BA7054 fab, BA7125 fab, Spike glycoprotein
著者Liu, Z, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
分子名称: BA7125 fab, BA7208 fab, Spike glycoprotein
著者Liu, Z, Liu, S, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 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, BA7054 fab, ...
著者Liu, Z, Lui, S, Gao, Y.
登録日2022-03-27
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 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, BA7208 fab, ...
著者Liu, Z, Liu, S, Gao, Y.Z.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDL
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BU of 7xdl by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 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, BA7125 fab, ...
著者Liu, Z, Liu, S, Yuanzhu, G.
登録日2022-03-27
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
4E20
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BU of 4e20 by Molmil
Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor
分子名称: N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide, Non-receptor tyrosine-protein kinase TYK2
著者Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
登録日2012-03-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Enabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor.
Bmc Struct.Biol., 12, 2012
3CJF
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BU of 3cjf by Molmil
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
分子名称: N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine, SULFATE ION, Vascular endothelial growth factor receptor 2
著者Nolte, R.T.
登録日2008-03-12
公開日2008-10-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
7XP6
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BU of 7xp6 by Molmil
Cryo-EM structure of a class T GPCR in active state
分子名称: Endoglucanase H,Taste receptor type 2 member 46,Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
登録日2022-05-03
公開日2022-10-12
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
7XP4
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Cryo-EM structure of a class T GPCR in apo state
分子名称: Endoglucanase H,Taste receptor type 2 member 46,Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
登録日2022-05-03
公開日2022-10-12
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
6KFW
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BU of 6kfw by Molmil
The cytochrome P450 enzyme CxnD for C-S bond formation in chuangxinmycin biosynthesis
分子名称: (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid, CxnD, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hong, B.
登録日2019-07-09
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Cytochrome P450 Catalyzing C-S Bond Formation in S-Heterocyclization of Chuangxinmycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021

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