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7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
登録日2021-04-21
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2808516 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
8WU7
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BU of 8wu7 by Molmil
Structure of a cis-Geranylfarnesyl Diphosphate Synthase from Streptomyces clavuligerus
分子名称: Isoprenyl transferase
著者Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
登録日2023-10-20
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
8WU6
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BU of 8wu6 by Molmil
Structure of a Nerylneryl Diphosphate Synthase from Solanum lycopersicum
分子名称: Nerylneryl diphosphate synthase CPT2, chloroplastic
著者Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
登録日2023-10-20
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
分子名称: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
著者Zhou, X, Hong, Y.
登録日2019-01-15
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
6XEY
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BU of 6xey by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-4
分子名称: 2-4 Heavy Chain, 2-4 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rapp, M, Shapiro, L, Ho, D.D.
登録日2020-06-14
公開日2020-07-22
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike.
Nature, 584, 2020
7EPX
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BU of 7epx by Molmil
S protein of SARS-CoV-2 in complex with GW01
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, Spike glycoprotein, ...
著者Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q.
登録日2021-04-28
公開日2022-05-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
5MEZ
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BU of 5mez by Molmil
Crystal structure of Smad4-MH1 bound to the GGCT site.
分子名称: CHLORIDE ION, DNA (5'-D(P*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), MH1 domain of human Smad4, ...
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5MEY
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BU of 5mey by Molmil
Crystal structure of Smad4-MH1 bound to the GGCGC site.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
登録日2021-07-06
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.151 Å)
主引用文献Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
5ODG
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BU of 5odg by Molmil
Crystal structure of Smad3-MH1 bound to the GGCT site.
分子名称: CHLORIDE ION, DNA (5'-D(P*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 3, ...
著者Kaczmarska, Z, Marquez, J.A, Macias, M.J.
登録日2017-07-05
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5MF0
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BU of 5mf0 by Molmil
Crystal structure of Smad4-MH1 bound to the GGCCG site.
分子名称: CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*GP*CP*CP*GP*CP*GP*GP*CP*CP*CP*GP*T)-3'), MH1 domain of human Smad4, ...
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
1GP7
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BU of 1gp7 by Molmil
Acidic Phospholipase A2 from venom of Ophiophagus Hannah
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Zhang, H, Lin, Z.
登録日2001-10-30
公開日2002-10-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a Cardiotoxic Phospholipase A(2) from Ophiophagus Hannah with the "Pancreatic Loop"
J.Struct.Biol., 138, 2002
5NM9
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BU of 5nm9 by Molmil
Crystal structure of the placozoa Trichoplax adhaerens Smad4-MH1 bound to the GGCGC site.
分子名称: DNA (5'-D(P*AP*TP*GP*CP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*GP*CP*AP*T)-3'), Mothers against decapentaplegic homolog, ZINC ION
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2017-04-05
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5OD6
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BU of 5od6 by Molmil
Crystal structure of Smad3-MH1 bound to the GGCGC site.
分子名称: DNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*GP*CP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 3, ZINC ION
著者Kaczmarska, Z, Marquez, J.A, Macias, M.J.
登録日2017-07-04
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
7FEM
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BU of 7fem by Molmil
SARS-CoV-2 B.1.1.7 S-ACE2 complex
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, Angiotensin-converting enzyme 2, ...
著者Wen, Z.L, Zhu, Y, Sun, F.
登録日2021-07-21
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
7FET
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BU of 7fet by Molmil
SARS-CoV-2 B.1.1.7 Spike Glycoprotein trimer
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, Spike glycoprotein
著者Wen, Z.L, Zhu, Y, Sun, F.
登録日2021-07-21
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
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
4Q2V
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BU of 4q2v by Molmil
Crystal Structure of Ricin A chain complexed with Baicalin inhibitor
分子名称: 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin
著者Deng, X, Li, X, Dong, J, Chen, Y.
登録日2014-04-10
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization.
J.Biol.Chem., 290, 2015
4QGU
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BU of 4qgu by Molmil
protein domain complex with ssDNA
分子名称: DNA (5'-D(P*AP*GP*GP*CP*CP*GP*GP*CP*GP*TP*GP*A)-3'), Gamma-interferon-inducible protein 16
著者Ni, X, Ru, H, Zhao, L, Shaw, N, Ding, W, Songying, O, Liu, Z.-J.
登録日2014-05-25
公開日2015-06-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献New insights into the structural basis of DNA recognition by HINa and HINb domains of IFI16.
J Mol Cell Biol, 8, 2016
7V2A
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BU of 7v2a by Molmil
SARS-CoV-2 Spike trimer in complex with XG014 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
著者Wang, K, Wang, X, Pan, L.
登録日2021-08-07
公開日2021-10-20
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
分子名称: DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR
著者Liu, B, Reverter, D.
登録日2020-10-09
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
分子名称: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
著者Liu, B, Reverter, D.
登録日2020-10-09
公開日2021-03-31
最終更新日2021-04-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
5BMV
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BU of 5bmv by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-Vinblastine COMPLEX
分子名称: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Chen, Q, Zhang, R.
登録日2015-05-23
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules.
Mol.Pharmacol., 89, 2016
4RAY
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BU of 4ray by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Apo-Fur
分子名称: CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION
著者Deng, Z, Liu, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
5CNO
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BU of 5cno by Molmil
Crystal structure of the EGFR kinase domain mutant V924R
分子名称: Epidermal growth factor receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Kovacs, E, Das, R, Mirza, A, Jura, N, Barros, T, Kuriyan, J.
登録日2015-07-17
公開日2015-07-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Analysis of the Role of the C-Terminal Tail in the Regulation of the Epidermal Growth Factor Receptor.
Mol.Cell.Biol., 35, 2015

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