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6XFN
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BU of 6xfn by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243
分子名称: 3C-like proteinase, GLYCEROL, UAW243
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-15
公開日2020-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBI
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BU of 6xbi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-06
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBH
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BU of 6xbh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-06
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XA4
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BU of 6xa4 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241
分子名称: 3C-like proteinase, GLYCEROL, inhibitor UAW241
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-03
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6T36
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BU of 6t36 by Molmil
Crystal structure of the PTPN3 PDZ domain bound to the HBV core protein C-terminal peptide
分子名称: BROMIDE ION, Capsid protein, Tyrosine-protein phosphatase non-receptor type 3
著者Genera, M, Mechaly, A, Haouz, A, Caillet-Saguy, C.
登録日2019-10-10
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Molecular basis of the interaction of the human tyrosine phosphatase PTPN3 with the hepatitis B virus core protein.
Sci Rep, 11, 2021
6XBG
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BU of 6xbg by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-05
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6RJD
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BU of 6rjd by Molmil
Cryo-EM structure of St1Cas9-sgRNA-tDNA59-ntPAM complex.
分子名称: Streptococcus Thermophilus 1 Cas9, ntPAM, sgRNA (78-MER), ...
著者Goulet, A, Chaves-Sanjuan, A, Cambillau, C.
登録日2019-04-26
公開日2019-10-02
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cas9 Allosteric Inhibition by the Anti-CRISPR Protein AcrIIA6.
Mol.Cell, 76, 2019
6RJ9
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BU of 6rj9 by Molmil
Cryo-EM structure of St1Cas9-sgRNA-tDNA20-AcrIIA6 monomeric assembly.
分子名称: AcrIIA6, CRISPR-associated endonuclease Cas9 1, sgRNA, ...
著者Goulet, A, Chaves-Sanjuan, A, Cambillau, C.
登録日2019-04-26
公開日2019-10-02
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cas9 Allosteric Inhibition by the Anti-CRISPR Protein AcrIIA6.
Mol.Cell, 76, 2019
6RJG
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BU of 6rjg by Molmil
Cryo-EM structure of St1Cas9-sgRNA-AcrIIA6-tDNA59-ntPAM complex.
分子名称: AcrIIA6, Cas 9, ntPAM, ...
著者Goulet, A, Chaves-Sanjuan, A, Cambillau, C.
登録日2019-04-26
公開日2019-10-02
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cas9 Allosteric Inhibition by the Anti-CRISPR Protein AcrIIA6.
Mol.Cell, 76, 2019
6RJA
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BU of 6rja by Molmil
Cryo-EM structure of St1Cas9-sgRNA-tDNA20-AcrIIA6 dimeric assembly.
分子名称: AcrIIA6, CRISPR-associated endonuclease Cas9 1, RNA (78-MER), ...
著者Goulet, A, Cambillau, C, Chaves-Sanjuan, A.
登録日2019-04-26
公開日2019-10-02
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cas9 Allosteric Inhibition by the Anti-CRISPR Protein AcrIIA6.
Mol.Cell, 76, 2019
7Q5I
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BU of 7q5i by Molmil
A glucose-based molecular rotor probes the catalytic site of glycogen phosphorylase.
分子名称: 2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide, BETA-MERCAPTOETHANOL, CARBONATE ION, ...
著者Neofytos, D.D, Chrysina, E.D.
登録日2021-11-03
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A glucose-based molecular rotor inhibitor of glycogen phosphorylase as a probe of cellular enzymatic function.
Org.Biomol.Chem., 20, 2022
8BUX
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BU of 8bux by Molmil
Rab-binding domain of human MiniBAR
分子名称: 1,2-ETHANEDIOL, Granule associated Rac and RHOG effector protein 1, MAGNESIUM ION, ...
著者Pylypenko, O, Hammich, H, Houdusse, A.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献MiniBAR/KIAA0355 is a dual Rac and Rab effector that controls actin contractility and trafficking for successful ciliogenesis
To Be Published
8BUY
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BU of 8buy by Molmil
Rac-binding domain of human MiniBAR
分子名称: 1,2-ETHANEDIOL, Granule associated Rac and RHOG effector protein 1, SULFATE ION
著者Pylypenko, O, Hammich, H, Houdusse, A.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MiniBAR/KIAA0355 is a dual Rac and Rab effector that controls actin contractility and trafficking for successful ciliogenesis
To Be Published
6US8
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BU of 6us8 by Molmil
Influenza A M2 proton channel wild type TM domain bound to S-rimantadine
分子名称: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, DeGrado, W.F.
登録日2019-10-25
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
6US9
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BU of 6us9 by Molmil
Influenza A M2 proton channel wild type TM domain bound to R-rimantadine
分子名称: CHLORIDE ION, Matrix protein 2, RIMANTADINE
著者Thomaston, J.L, DeGrado, W.F.
登録日2019-10-25
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Biochemistry, 2021
6VLW
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BU of 6vlw by Molmil
Crystal Structure of 426cOD in Complex with VRC01 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 426cOD, ...
著者Weidle, C, Pancera, M.
登録日2020-01-27
公開日2020-12-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献HIV-1 VRC01 Germline-Targeting Immunogens Select Distinct Epitope-Specific B Cell Receptors.
Immunity, 53, 2020
8IG0
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BU of 8ig0 by Molmil
Crystal structure of menin in complex with DS-1594b
分子名称: (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ...
著者Suzuki, M, Yoneyama, T, Imai, E.
登録日2023-02-20
公開日2023-03-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
5XOD
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BU of 5xod by Molmil
Crystal structure of human Smad2-Ski complex
分子名称: Mothers against decapentaplegic homolog 2, Ski oncogene
著者Miyazono, K, Moriwaki, S, Ito, T, Tanokura, M.
登録日2017-05-27
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Hydrophobic patches on SMAD2 and SMAD3 determine selective binding to cofactors
Sci Signal, 11, 2018
5XOC
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BU of 5xoc by Molmil
Crystal structure of human Smad3-FoxH1 complex
分子名称: Mothers against decapentaplegic homolog 3, Thioredoxin 1,Forkhead box protein H1
著者Miyazono, K, Ito, T, Tanokura, M.
登録日2017-05-27
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Hydrophobic patches on SMAD2 and SMAD3 determine selective binding to cofactors
Sci Signal, 11, 2018
4K71
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BU of 4k71 by Molmil
Crystal structure of a high affinity Human Serum Albumin variant bound to the Neonatal Fc Receptor
分子名称: Beta-2-microglobulin, IgG receptor FcRn large subunit p51, SULFATE ION, ...
著者Schmidt, M.M, Townson, S.A, Andreucci, A, Dombrowski, C, Erbe, D.V, King, B, Kovalchin, J.T, Masci, A, Murillo, A, Schirmer, E.B, Furfine, E.S, Barnes, T.M.
登録日2013-04-16
公開日2013-10-23
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of an HSA/FcRn complex reveals recycling by competitive mimicry of HSA ligands at a pH-dependent hydrophobic interface.
Structure, 21, 2013
5IHL
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BU of 5ihl by Molmil
STRUCTURE OF THE EXTRACELLULAR DOMAIN OF THE CD40 IN COMPLEX WITH 3H56-5 DAB
分子名称: 3H56-5 domain antibody (dAb), SULFATE ION, Tumor necrosis factor receptor superfamily member 5
著者Sheriff, S.
登録日2016-02-29
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
7BO6
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BU of 7bo6 by Molmil
VDR complex with LCA derivative
分子名称: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2021-01-24
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Lithocholic acid-based design of noncalcemic vitamin D receptor agonists.
Bioorg.Chem., 111, 2021
5DMJ
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BU of 5dmj by Molmil
Structure of the extracellular domain of the CD40 in complex with 3H56-5 DAB
分子名称: 3H65-5 domain antibody (dAb), POTASSIUM ION, Tumor necrosis factor receptor superfamily member 5
著者Sheriff, S.
登録日2015-09-08
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
6DFI
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BU of 6dfi by Molmil
Crystal structure of anti-Zika antibody Z021 bound to Zika virus envelope protein DIII
分子名称: Zika virus envelope protein DIII, anti-Zika antibody Z021, Heavy Chain, ...
著者Keeffe, J.R, Bjorkman, P.J.
登録日2018-05-14
公開日2018-10-24
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献A Combination of Two Human Monoclonal Antibodies Prevents Zika Virus Escape Mutations in Non-human Primates.
Cell Rep, 25, 2018
6DFJ
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BU of 6dfj by Molmil
Crystal structure of anti-Zika antibody Z021 bound to DENV-1 envelope protein DIII
分子名称: Dengue 1 Envelope DIII domain, anti-Zika antibody Z021, Heavy Chain, ...
著者Keeffe, J.R, Bjorkman, P.J.
登録日2018-05-14
公開日2018-10-24
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献A Combination of Two Human Monoclonal Antibodies Prevents Zika Virus Escape Mutations in Non-human Primates.
Cell Rep, 25, 2018

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