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8J9J
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BU of 8j9j by Molmil
Cryo-EM structure of Euglena gracilis complex I, NADH state
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Wu, M.C, He, Z.X, Tian, H.T, Hu, Y.Q, Han, F.Z, Zhou, L.
登録日2023-05-03
公開日2024-02-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024
7X8M
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NMR Solution Structure of the 2:1 Berberine-KRAS-G4 Complex
分子名称: BERBERINE, DNA (24-MER)
著者Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y.
登録日2022-03-14
公開日2022-09-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
8IUJ
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BU of 8iuj by Molmil
Cryo-EM structure of Euglena gracilis super-complex III2+IV2, composite
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Wu, M.C, Tian, H.T, He, Z.X, Hu, Y.Q, Zhou, L.
登録日2023-03-24
公開日2024-02-28
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024
7X8O
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BU of 7x8o by Molmil
NMR Solution Structure of the 2:1 Coptisine-KRAS-G4 Complex
分子名称: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (24-MER)
著者Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y.
登録日2022-03-14
公開日2022-09-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
7X8N
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BU of 7x8n by Molmil
NMR Solution Structure of the Wild-type Bulge-containing KRAS-G4
分子名称: DNA (24-mer)
著者Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y.
登録日2022-03-14
公開日2022-09-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine.
Nat Commun, 13, 2022
3LDO
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BU of 3ldo by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with AMPPNP
分子名称: 78 kDa glucose-regulated protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
登録日2010-01-13
公開日2011-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
3LYI
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BU of 3lyi by Molmil
PWWP Domain of Human Bromodomain-Containing Protein 1
分子名称: Bromodomain-containing protein 1, CYSTEINESULFONIC ACID
著者Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-02-26
公開日2010-03-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
6KPP
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BNC105 in complex with tubulin
分子名称: (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, T, Wu, C, Pu, D.
登録日2019-08-15
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.74524117 Å)
主引用文献Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design.
Biochem.Biophys.Res.Commun., 2020
3M0A
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BU of 3m0a by Molmil
Crystal structure of TRAF2:cIAP2 complex
分子名称: Baculoviral IAP repeat-containing protein 3, TNF receptor-associated factor 2, ZINC ION
著者Kabaleeswaran, V, Wu, H.
登録日2010-03-02
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structures of the TRAF2: cIAP2 and the TRAF1: TRAF2: cIAP2 complexes: affinity, specificity, and regulation.
Mol.Cell, 38, 2010
3M0D
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Crystal structure of the TRAF1:TRAF2:cIAP2 complex
分子名称: Baculoviral IAP repeat-containing protein 3, TNF receptor-associated factor 1, TNF receptor-associated factor 2, ...
著者Kabaleeswaran, V, Wu, H.
登録日2010-03-02
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of the TRAF2: cIAP2 and the TRAF1: TRAF2: cIAP2 complexes: affinity, specificity, and regulation.
Mol.Cell, 38, 2010
6L31
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BU of 6l31 by Molmil
L1 protein of human papillomavirus 6
分子名称: Major capsid protein L1
著者Li, S.W, Liu, X.L, Gu, Y.
登録日2019-10-07
公開日2019-12-25
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Neutralization sites of human papillomavirus-6 relate to virus attachment and entry phase in viral infection.
Emerg Microbes Infect, 8, 2019
7DGB
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BU of 7dgb by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-4-methyl-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pentanamide
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.678 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGH
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The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide
分子名称: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGF
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BU of 7dgf by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
分子名称: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
6LDZ
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Crystal structure of Rv0222 from Mycobacterium tuberculosis
分子名称: Probable enoyl-CoA hydratase EchA1 (Enoyl hydrase) (Unsaturated acyl-CoA hydratase) (Crotonase)
著者Li, J, Ran, Y.J, Wang, L, Wu, J.H, Ge, B.X, Rao, Z.H.
登録日2019-11-23
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Host-mediated ubiquitination of a mycobacterial protein suppresses immunity.
Nature, 577, 2020
7EC5
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EV-D68 in complex with 8F12 Fab
分子名称: 8F12 Fab heavy chain, 8F12 Fab light chain, Capsid protein VP1, ...
著者Xu, C, Cong, Y.
登録日2021-03-11
公開日2021-03-31
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7EBR
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EV-D68 in complex with 2H12 Fab (state S2)
分子名称: 2H12 Fab heavy chain, 2H12 Fab light chain, Capsid protein VP1, ...
著者Xu, C, Cong, Y.
登録日2021-03-10
公開日2021-03-31
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7EAN
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BU of 7ean by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 6D6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6, Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6, ...
著者Li, T.T, Gu, Y, Li, S.W.
登録日2021-03-07
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
3MO8
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PWWP Domain of Human Bromodomain and PHD finger-containing protein 1 In Complex with Trimethylated H3K36 Peptide
分子名称: Histone H3.2 TRIMETHYLATED H3K36 PEPTIDE, Peregrin
著者Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2010-04-22
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3M06
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Crystal Structure of TRAF2
分子名称: TNF receptor-associated factor 2
著者Kabaleeswaran, V, Wu, H.
登録日2010-03-02
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structures of the TRAF2: cIAP2 and the TRAF1: TRAF2: cIAP2 complexes: affinity, specificity, and regulation.
Mol.Cell, 38, 2010
3L42
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PWWP domain of human bromodomain and PHD finger containing protein 1
分子名称: Peregrin, UNKNOWN ATOM OR ION
著者Tempel, W, Zeng, H, Ni, S, Amaya, M.F, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2009-12-18
公開日2010-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3V43
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Crystal structure of MOZ
分子名称: ACETATE ION, Histone H3.1, Histone acetyltransferase KAT6A, ...
著者Qiu, Y, Li, F.
登録日2011-12-14
公開日2012-06-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription
Genes Dev., 26, 2012
6LPM
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Crystal structure of AP endonuclease from Deinococcus radioduran
分子名称: Exodeoxyribonuclease III
著者Zhao, Y, He, Y.
登録日2020-01-11
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Functional Characterization of a Unique AP Endonuclease From Deinococcus radiodurans .
Front Microbiol, 11, 2020

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件を2024-08-07に公開中

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