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7DAC
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BU of 7dac by Molmil
Human RIPK3 amyloid fibril revealed by solid-state NMR
分子名称: Receptor-interacting serine/threonine-protein kinase 3
著者Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X.
登録日2020-10-16
公開日2021-04-28
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
分子名称: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
著者Lu, M.
登録日2023-01-21
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
6LJU
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BU of 6lju by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
7CZ6
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BU of 7cz6 by Molmil
Protrusion structure of Omono River virus
分子名称: Capsid protein
著者Shao, Q, Jia, X, Gao, Y, Liu, Z.
登録日2020-09-07
公開日2021-03-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM reveals a previously unrecognized structural protein of a dsRNA virus implicated in its extracellular transmission.
Plos Pathog., 17, 2021
7D0L
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BU of 7d0l by Molmil
The major capsid of Omono River virus (strain:LZ), protrusion-free status.
分子名称: Capsid protein
著者Shao, Q, Jia, X, Gao, Y, Liu, Z.
登録日2020-09-11
公開日2021-03-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Cryo-EM reveals a previously unrecognized structural protein of a dsRNA virus implicated in its extracellular transmission.
Plos Pathog., 17, 2021
7D0K
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BU of 7d0k by Molmil
The icosahedral capsid of Omono River virus (strain:LZ)
分子名称: Capsid protein
著者Shao, Q, Jia, X, Gao, Y, Liu, Z.
登録日2020-09-11
公開日2021-03-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Cryo-EM reveals a previously unrecognized structural protein of a dsRNA virus implicated in its extracellular transmission.
Plos Pathog., 17, 2021
6LJX
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BU of 6ljx by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6L6H
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BU of 6l6h by Molmil
Crystal structure of Lpg0189
分子名称: ACETATE ION, GLYCEROL, Uncharacterized protein Lpg0189
著者Ge, H, Chen, X.
登録日2019-10-29
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020
6LJV
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BU of 6ljv by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6L6G
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BU of 6l6g by Molmil
Crystal structure of SeMet_Lpg0189
分子名称: GLYCEROL, Uncharacterized protein Lpg0189
著者Ge, H, Chen, X.
登録日2019-10-29
公開日2019-11-27
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020
7DA4
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BU of 7da4 by Molmil
Cryo-EM structure of amyloid fibril formed by human RIPK3
分子名称: Receptor-interacting serine/threonine-protein kinase 3
著者Zhao, K, Ma, Y.Y, Sun, Y.P, Li, D, Liu, C.
登録日2020-10-14
公開日2021-04-28
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.24 Å)
主引用文献The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
6LJW
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BU of 6ljw by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJT
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BU of 6ljt by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
7DDN
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BU of 7ddn by Molmil
SARS-Cov2 S protein at open state
分子名称: Spike glycoprotein
著者Cong, Y, Liu, C.X.
登録日2020-10-29
公開日2020-11-25
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DD2
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BU of 7dd2 by Molmil
S-3C1-F2 structure, two RBDs are up and one RBD is down, the two up RBD bind with a 3C1 fab.
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-27
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK4
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BU of 7dk4 by Molmil
S-2H2-F3a structure, two RBDs are up and one RBD is down, each RBD binds with a 2H2 Fab.
分子名称: Spike glycoprotein, The heavy chain of 2H2 Fab, The light chain of 2H2 Fab
著者Cong, Y, Wang, Y.F.
登録日2020-11-23
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DDZ
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BU of 7ddz by Molmil
The Crystal Structure of Human Neuropeptide Y Y2 Receptor with JNJ-31020028
分子名称: FLAVIN MONONUCLEOTIDE, Human Neuropeptide Y Y2 Receptor fusion protein, ~{N}-[4-[4-[(1~{S})-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-pyridin-3-yl-benzamide
著者Tang, T, Han, S, Zhao, Q, Wu, B.
登録日2020-10-30
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for ligand recognition of the neuropeptide Y Y 2 receptor.
Nat Commun, 12, 2021
4FZ6
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BU of 4fz6 by Molmil
Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine
分子名称: N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-07-06
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
4FYN
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BU of 4fyn by Molmil
Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol
分子名称: 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-07-05
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
6LQH
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BU of 6lqh by Molmil
High resolution architecture of curli complex
分子名称: Curli production assembly/transport component CsgF, Curli production assembly/transport component CsgG
著者Zhang, M, Shi, H, Huang, Y.
登録日2020-01-13
公開日2020-07-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Cryo-EM structure of the nonameric CsgG-CsgF complex and its implications for controlling curli biogenesis in Enterobacteriaceae.
Plos Biol., 18, 2020
6LQJ
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BU of 6lqj by Molmil
Low resolution architecture of curli complex
分子名称: Curli production assembly/transport component CsgF, Curli production assembly/transport component CsgG
著者Zhang, M, Shi, H, Huang, Y.
登録日2020-01-13
公開日2020-07-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Cryo-EM structure of the nonameric CsgG-CsgF complex and its implications for controlling curli biogenesis in Enterobacteriaceae.
Plos Biol., 18, 2020
6M67
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BU of 6m67 by Molmil
The Cryo-EM Structure of Human Pannexin 1 with D376E/D379E Mutation
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6LQN
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BU of 6lqn by Molmil
EBV tegument protein BBRF2
分子名称: Cytoplasmic envelopment protein 1, NITRATE ION, SULFATE ION
著者He, H.P, Luo, M, Cao, Y.L, Gao, S.
登録日2020-01-14
公開日2020-10-07
最終更新日2021-04-21
実験手法X-RAY DIFFRACTION (1.600022 Å)
主引用文献Structure of Epstein-Barr virus tegument protein complex BBRF2-BSRF1 reveals its potential role in viral envelopment.
Nat Commun, 11, 2020
6LQO
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EBV tegument protein BBRF2/BSRF1 complex
分子名称: ACETATE ION, Cytoplasmic envelopment protein 1, GLYCEROL, ...
著者He, H.P, Luo, M, Cao, Y.L, Gao, S.
登録日2020-01-14
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.0911262 Å)
主引用文献Structure of Epstein-Barr virus tegument protein complex BBRF2-BSRF1 reveals its potential role in viral envelopment.
Nat Commun, 11, 2020
6M68
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The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020

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