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8CZ5
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BU of 8cz5 by Molmil
N11 P domain 2D9 Fab P complex
分子名称: ACETATE ION, CADMIUM ION, Fab 2D9 Heavy Chain, ...
著者Leuthold, M, Kilic, T, Hansman, G.
登録日2022-05-24
公開日2022-10-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.645 Å)
主引用文献Structural Basis for Rabbit Hemorrhagic Disease Virus Antibody Specificity.
J.Virol., 96, 2022
8TBQ
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BU of 8tbq by Molmil
The crystal structure of human VISTA extra cellular domain in complex with Fab fragment of pH-selective anti-VISTA antibody
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, SNS-101 Fab heavy chain, ...
著者van der Horst, E.H, Mukherjee, A, Thisted, T.
登録日2023-06-29
公開日2024-03-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献VISTA checkpoint inhibition by pH-selective antibody SNS-101 with optimized safety and pharmacokinetic profiles enhances PD-1 response.
Nat Commun, 15, 2024
7SGG
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BU of 7sgg by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with SAHA
分子名称: DI(HYDROXYETHYL)ETHER, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGK
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BU of 7sgk by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-728
分子名称: N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
9JJ7
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The crystal structure of SARS-CoV-2 NSP5 in complex with eIF4G2
分子名称: 3C-like proteinase nsp5, Eukaryotic translation initiation factor 4 gamma 2
著者Yan, X, Jin, Z, Wang, Y, Zhang, J.
登録日2024-09-13
公開日2025-01-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Coronavirus NSP5 is an Evolutionarily Conserved Inhibitor of Host Translation
To Be Published
9JHX
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BU of 9jhx by Molmil
Versatile Aromatic Prenyltransferase auraA mutant-Y207A in complex with DMSPP
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, Versatile Aromatic Prenyltransferase auraA
著者Li, D, Zhang, Y, Wang, W, Wang, P.
登録日2024-09-10
公開日2025-02-05
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Characterization and structural analysis of a versatile aromatic prenyltransferase for imidazole-containing diketopiperazines.
Nat Commun, 16, 2025
7WX2
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BU of 7wx2 by Molmil
CBP-BrD complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
7WWZ
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BU of 7wwz by Molmil
BRD4-BD1 complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
6ILM
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BU of 6ilm by Molmil
Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4
分子名称: Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-19
公開日2019-05-15
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
6P5A
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Drosophila P element transposase strand transfer complex
分子名称: DNA (44-MER), DNA (5'-D(P*AP*GP*GP*TP*GP*GP*TP*CP*CP*CP*GP*TP*CP*GP*G)-3'), DNA (5'-D(P*CP*GP*AP*AP*CP*TP*AP*TP*A)-3'), ...
著者Kellogg, E.H, Nogales, E, Ghanim, G, Rio, D.C.
登録日2019-05-30
公開日2019-10-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of a P element transposase-DNA complex reveals unusual DNA structures and GTP-DNA contacts.
Nat.Struct.Mol.Biol., 26, 2019
6ILP
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BU of 6ilp by Molmil
Cryo-EM structure of full Echovirus 6 particle at PH 7.4
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-19
公開日2019-05-15
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
6ILN
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BU of 6iln by Molmil
Cryo-EM structure of full Echovirus 6 particle at PH 5.5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-19
公開日2019-05-15
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
6PE2
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BU of 6pe2 by Molmil
Drosophila P element transposase strand transfer complex
分子名称: DNA (27-MER), DNA (5'-D(P*CP*GP*AP*AP*CP*TP*AP*TP*A)-3'), DNA (56-MER), ...
著者Kellogg, E.H, Nogales, E, Ghanim, G, Rio, D.C.
登録日2019-06-19
公開日2019-10-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of a P element transposase-DNA complex reveals unusual DNA structures and GTP-DNA contacts.
Nat.Struct.Mol.Biol., 26, 2019
8Y9E
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BU of 8y9e by Molmil
Versatile Aromatic Prenyltransferase auraA for Imidazole-Containing Diketopiperazines
分子名称: Versatile Aromatic Prenyltransferase auraA
著者Li, D, Zhang, Y, Wang, W, Wang, P.
登録日2024-02-06
公開日2025-02-05
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Characterization and structural analysis of a versatile aromatic prenyltransferase for imidazole-containing diketopiperazines.
Nat Commun, 16, 2025
8Y7T
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BU of 8y7t by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with C2
分子名称: 3C-like proteinase nsp5, 6-(iminomethyl)-4-(2-pyridin-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione
著者Zeng, R, Deng, X.Y, Yang, Z.Y, Wang, K, Jiang, Y.Y, Lei, J.
登録日2024-02-05
公開日2025-02-05
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A deep learning model for structure-based bioactivity optimization and its application in the bioactivity optimization of a SARS-CoV-2 main protease inhibitor.
Eur.J.Med.Chem., 291, 2025
8Y9D
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Versatile Aromatic Prenyltransferase auraA in complex with DMAPP and cyclo-(L-Val-L-His)
分子名称: (3~{S},6~{S})-3-(1~{H}-imidazol-4-ylmethyl)-6-propan-2-yl-piperazine-2,5-dione, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Versatile Aromatic Prenyltransferase auraA
著者Li, D, Zhang, Y, Wang, W, Wang, P.
登録日2024-02-06
公開日2025-02-05
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Characterization and structural analysis of a versatile aromatic prenyltransferase for imidazole-containing diketopiperazines.
Nat Commun, 16, 2025
8Y7U
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BU of 8y7u by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with C5
分子名称: 2-(3-fluoro-4-(trifluoromethyl)phenyl)-6-(iminomethyl)-4-(2-oxo-2-(pyridin-2-yl)ethyl)-1,2,4-triazine-3,5(2H,4H)-dione, 3C-like proteinase nsp5
著者Zeng, R, Deng, X.Y, Yang, Z.Y, Wang, K, Jiang, Y.Y, Lei, J.
登録日2024-02-05
公開日2025-02-05
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A deep learning model for structure-based bioactivity optimization and its application in the bioactivity optimization of a SARS-CoV-2 main protease inhibitor.
Eur.J.Med.Chem., 291, 2025
8Y9G
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BU of 8y9g by Molmil
Versatile Aromatic Prenyltransferase auraA in complex with DMSPP and cyclo-(L-Val-DH-His)
分子名称: (3~{Z},6~{S})-3-(1~{H}-imidazol-4-ylmethylidene)-6-propan-2-yl-piperazine-2,5-dione, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Versatile Aromatic Prenyltransferase auraA
著者Li, D, Zhang, Y, Wang, W, Wang, P.
登録日2024-02-06
公開日2025-02-05
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Characterization and structural analysis of a versatile aromatic prenyltransferase for imidazole-containing diketopiperazines.
Nat Commun, 16, 2025
5ER2
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BU of 5er2 by Molmil
High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme
分子名称: 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN
著者Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L.
登録日1991-01-02
公開日1991-04-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.
EMBO J., 8, 1989
8K0D
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BU of 8k0d by Molmil
Cryo-EM structure of conformation 2 of complex of Nipah virus attachment G with 1E5 neutralizing antibody
分子名称: Glycoprotein G, The heavy chain of 1E5, The light chain of 1E5
著者Sun, M.
登録日2023-07-08
公開日2024-05-01
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
8K0C
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BU of 8k0c by Molmil
Cryo-EM structure of conformation 1 of complex of Nipah virus attachment glycoprotein G with 1E5 neutralizing antibody
分子名称: Glycoprotein G, Heavy chain of 1E5 Fab fragments, Light chain of 1E5 Fab fragments
著者Sun, M.M.
登録日2023-07-08
公開日2024-05-01
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
6ILK
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Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 7.4
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Gao, G.F, Liu, S, Zhao, X, Peng, R.
登録日2018-10-18
公開日2019-05-15
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
8EN4
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BU of 8en4 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 53
分子名称: 1,2-ETHANEDIOL, Nanobody 53, VP1
著者Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EN5
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Structure of GII.4 norovirus in complex with Nanobody 56
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GII.4 P domain, ...
著者Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EMZ
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BU of 8emz by Molmil
Structure of GII.17 norovirus in complex with Nanobody 2
分子名称: 1,2-ETHANEDIOL, GII.17 P domain, Nanobody 2
著者Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023

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件を2025-07-09に公開中

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