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8DDE
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BU of 8dde by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-2-(1H-tetrazol-5-yl) yridine-3-ol
分子名称: (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8IO5
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Herg1a-herg1b closed state 2
分子名称: Potassium voltage-gated channel subfamily H member 2
著者Zhang, M.F.
登録日2023-03-10
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of Herg1a-herg1b open state
To Be Published
7CKQ
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BU of 7ckq by Molmil
The cryo-EM structure of B. subtilis BmrR transcription activation complex
分子名称: DNA (50-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Fang, C.L, Zhang, Y.
登録日2020-07-18
公開日2020-12-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献The bacterial multidrug resistance regulator BmrR distorts promoter DNA to activate transcription.
Nat Commun, 11, 2020
8CS2
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BU of 8cs2 by Molmil
[(1AP)G/TC] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*(1AP)P*GP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
7QUR
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BU of 7qur by Molmil
SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry
分子名称: 2,3,5-tris(iodanyl)benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Naismith, J.H, Yang, Y, Liu, J.W.
登録日2022-01-18
公開日2022-06-01
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
8PZ8
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BU of 8pz8 by Molmil
crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 54
分子名称: (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A
著者Rochel, N.
登録日2023-07-27
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.
Eur.J.Med.Chem., 271, 2024
7QIJ
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BU of 7qij by Molmil
Complex of the Yersinia enterocolitica Type III secretion export gate YscV with substrate:chaperone complex YscX:YscY
分子名称: Chaperone protein YscY, Low calcium response locus protein D, Yop proteins translocation protein X
著者Gilzer, D, Niemann, H.H.
登録日2021-12-15
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Direct interaction of a chaperone-bound type III secretion substrate with the export gate.
Nat Commun, 13, 2022
7QQC
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BU of 7qqc by Molmil
Structure of CTX-M-15 K73A mutant
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-01-07
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
8DHN
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BU of 8dhn by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
分子名称: (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one, MANGANESE (II) ION, PA endonuclease
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-27
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8IOB
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BU of 8iob by Molmil
Herg1a-herg1b closed state 1
分子名称: Potassium voltage-gated channel subfamily H member 2
著者Zhang, M.F.
登録日2023-03-10
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of Herg1a-herg1b closed state 1
To Be Published
7QII
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BU of 7qii by Molmil
Complex of the Yersinia enterocolitica Type III secretion proteins YscX and YscY
分子名称: Chaperone protein YscY, Yop proteins translocation protein X
著者Gilzer, D, Schreiner, M, Niemann, H.H.
登録日2021-12-15
公開日2022-06-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Direct interaction of a chaperone-bound type III secretion substrate with the export gate.
Nat Commun, 13, 2022
8CY5
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BU of 8cy5 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
7QIH
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BU of 7qih by Molmil
Complex of the Yersinia enterocolitica Type III secretion proteins YscX and YscY
分子名称: Chaperone protein YscY, Yop proteins translocation protein X
著者Gilzer, D, Niemann, H.H.
登録日2021-12-15
公開日2022-06-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Direct interaction of a chaperone-bound type III secretion substrate with the export gate.
Nat Commun, 13, 2022
8CXX
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BU of 8cxx by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 6
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CY3
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BU of 8cy3 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 15
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-[3-(4-aminophenyl)propyl]adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
7Q6C
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BU of 7q6c by Molmil
complement C6 FIM1-2 bound to CP010 antibody
分子名称: ACETATE ION, CP010 heavy chain, CP010 light chain, ...
著者Olesen, H.G, Andersen, G.R.
登録日2021-11-06
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.29274 Å)
主引用文献Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex.
J Innate Immun, 2022
8PIX
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BU of 8pix by Molmil
Cryo EM structure of the type 3C polymorph of alpha-synuclein at low pH.
分子名称: Alpha-synuclein
著者Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R.
登録日2023-06-22
公開日2024-05-29
最終更新日2024-09-11
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
8CS1
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BU of 8cs1 by Molmil
[GA/CT] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*CP*TP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (4.56 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
7QUS
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BU of 7qus by Molmil
SARS-CoV-2 Spike, C3 symmetry
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, LINOLEIC ACID, ...
著者Naismith, J.H, Yang, Y, Liu, J.W.
登録日2022-01-18
公開日2022-06-08
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
7LOT
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BU of 7lot by Molmil
Human PPAR Gamma LBD in Complex with Tetrazole Compound N-{3-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine.
分子名称: Peroxisome proliferator-activated receptor gamma, ~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine
著者de Paula, K, Nascimento, A.S.
登録日2021-02-10
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Tetrazoles as PPAR gamma ligands: A structural and computational investigation.
J.Mol.Graph.Model., 106, 2021
8CS6
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BU of 8cs6 by Molmil
[AGG/CTC] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*AP*GP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*CP*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (6.76 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
8PJO
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BU of 8pjo by Molmil
Cryo EM structure of the type 3D polymorph of alpha-synuclein E46K mutant at low pH.
分子名称: Alpha-synuclein, CHLORIDE ION
著者Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R.
登録日2023-06-23
公開日2024-05-29
最終更新日2024-09-11
実験手法ELECTRON MICROSCOPY (2.31 Å)
主引用文献On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
8D9K
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CryoEM structure of human METTL1-WDR4 in complex with Lys-tRNA
分子名称: RNA (65-MER), tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4
著者Ruiz-Arroyo, V.M, Nam, Y.
登録日2022-06-10
公開日2023-01-11
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Structures and mechanisms of tRNA methylation by METTL1-WDR4.
Nature, 613, 2023
8D47
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fp.006 Fab in complex with SARS-CoV-2 Fusion Peptide
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Abernathy, M.E, Barnes, C.O.
登録日2022-06-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein.
Sci Immunol, 8, 2023
8CXS
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MTA
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DNA Strand 1, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023

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件を2024-10-16に公開中

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