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PDB: 42391 件

9EO0
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Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1
分子名称: Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide
著者Plewka, J, Hec, A, Sitar, T, Holak, T.
登録日2024-03-14
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
8ZC2
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BU of 8zc2 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-29
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (7.82 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8WKX
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BU of 8wkx by Molmil
Cryo-EM structure of DSR2
分子名称: SIR2-like domain-containing protein
著者Gao, A, Huang, J, Zhu, K.
登録日2023-09-28
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (4.15 Å)
主引用文献Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
9B9R
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BU of 9b9r by Molmil
Cryo-EM structure of the ZBTB5 BTB domain filament
分子名称: Zinc finger and BTB domain-containing protein 5
著者Park, J, Hunkeler, M, Fischer, E.S.
登録日2024-04-03
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Polymerization of ZBTB transcription factors regulates chromatin occupancy.
Mol.Cell, 84, 2024
8WKS
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Cryo-EM structure of DSR2-TUBE complex
分子名称: SIR2-like domain-containing protein, TUBE
著者Gao, A, Huang, J, Zhu, K.
登録日2023-09-28
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-29
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (6.85 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
9AYL
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BU of 9ayl by Molmil
Cryo-EM structure of human Cav3.2 with ACT-709478
分子名称: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Fan, X, Huang, J, Yan, N.
登録日2024-03-08
公開日2024-04-24
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
9AYG
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BU of 9ayg by Molmil
Cryo-EM structure of apo state human Cav3.2
分子名称: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Fan, X, Huang, J, Yan, N.
登録日2024-03-07
公開日2024-04-24
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
9AYH
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BU of 9ayh by Molmil
Cryo-EM structure of human Cav3.2 with TTA-A2
分子名称: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(4-cyclopropylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, X, Huang, J, Yan, N.
登録日2024-03-07
公開日2024-04-24
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
8Z9Q
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BU of 8z9q by Molmil
Cryo-EM structure of Thogoto virus polymerase in a replication reception conformation
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ...
著者Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
登録日2024-04-23
公開日2024-05-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z8X
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BU of 8z8x by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription initiation conformation
分子名称: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
登録日2024-04-22
公開日2024-05-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z98
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BU of 8z98 by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription reception conformation
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
登録日2024-04-22
公開日2024-05-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8WEX
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BU of 8wex by Molmil
Crystal structure of N-acetyl sugar amidotransferase from Legionella pneumophila
分子名称: N-acetyl sugar amidotransferase, ZINC ION
著者Gao, J, Xu, W, Ge, H.
登録日2023-09-19
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural Characterization of an N-Acetyl Sugar Amidotransferase Involved in the Lipopolysaccharide Biosynthesis in Bacteria.
Int J Mol Sci, 24, 2023
8Z90
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BU of 8z90 by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription initiation conformation 2
分子名称: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
登録日2024-04-22
公開日2024-05-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8WKT
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BU of 8wkt by Molmil
Cryo-EM structure of DSR2-DSAD1 complex
分子名称: SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI
著者Gao, A, Huang, J, Zhu, K.
登録日2023-09-28
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion.
Nat Commun, 15, 2024
8ZC3
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BU of 8zc3 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up)
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.69 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8XIF
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BU of 8xif by Molmil
The crystal structure of the AEP domain of VACV D5
分子名称: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
著者Gan, J, Zhang, W.
登録日2023-12-19
公開日2024-05-01
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8XJ8
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BU of 8xj8 by Molmil
The Cryo-EM structure of MPXV E5 C-terminal in complex with DNA
分子名称: DNA (70-MER), MAGNESIUM ION, Monkeypox virus E5, ...
著者Zhang, W, Liu, Y, Gao, H, Gan, J.
登録日2023-12-20
公開日2024-05-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8ZC5
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BU of 8zc5 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
9B9V
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BU of 9b9v by Molmil
Cryo-EM structure of the ZBTB9 BTB domain filament
分子名称: Zinc finger and BTB domain-containing protein 9
著者Park, J, Hunkeler, M, Fischer, E.S.
登録日2024-04-03
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (8.1 Å)
主引用文献Polymerization of ZBTB transcription factors regulates chromatin occupancy.
Mol.Cell, 84, 2024
8X5N
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BU of 8x5n by Molmil
Tetramer Gabija with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA, Gabija protein GajB, ...
著者Li, J, Wang, Z, Wang, L.
登録日2023-11-17
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8WY4
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BU of 8wy4 by Molmil
GajA tetramer with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA
著者Li, J, Wang, Z, Wang, L.
登録日2023-10-30
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8ZBZ
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BU of 8zbz by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up)
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.71 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
4UWK
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BU of 4uwk by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ...
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UWL
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BU of 4uwl by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015

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件を2024-07-31に公開中

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