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8CQK
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BU of 8cqk by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(2-methyl-4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide (Compound 30)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Casement, R, Phuong Vu, L, Ciulli, A, Gutschow, M.
登録日2023-03-06
公開日2023-09-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1 alpha Stabilizers.
J.Med.Chem., 66, 2023
8CPY
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BU of 8cpy by Molmil
Extended cowpea chlorotic mottle virus
分子名称: Capsid protein
著者Harder, O.F, Barrass, S.V, Drabbels, M, Lorenz, U.J.
登録日2023-03-03
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Fast viral dynamics revealed by microsecond time-resolved cryo-EM.
Nat Commun, 14, 2023
8CQE
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BU of 8cqe by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(2-methyl-4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide (Compound 37)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-7-fluoranyl-6-(4-methyl-1,3-thiazol-5-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Casement, R, Phuong Vu, L, Ciulli, A, Gutschow, M.
登録日2023-03-06
公開日2023-09-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1 alpha Stabilizers.
J.Med.Chem., 66, 2023
8CEH
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BU of 8ceh by Molmil
Translocation intermediate 4 (TI-4) of 80S S. cerevisiae ribosome with ligands and eEF2 in the presence of sordarin
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G.
登録日2023-02-01
公開日2023-09-20
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.05 Å)
主引用文献mRNA reading frame maintenance during eukaryotic ribosome translocation.
Nature, 625, 2024
6QTC
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BU of 6qtc by Molmil
tSH2 domain of transcription elongation factor Spt6 complexed with tyrosine phosphorylated CTD
分子名称: Tyrosine phosphorylated CTD, tSH2 domain of transcription elongation factor Spt6
著者Brazda, P, Krejcikova, M, Smirakova, E, Kubicek, K, Stefl, R.
登録日2019-02-24
公開日2020-07-15
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献tSH2 domain of transcription elongation factor Spt6 complexed with tyrosine phosphorylated CTD
To Be Published
6RGU
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BU of 6rgu by Molmil
Photorhabdus asymbiotica lectin PHL in complex with 3-O-methyl-D-glucose
分子名称: 3-O-methyl-beta-D-glucopyranose, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
登録日2019-04-17
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RHK
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BU of 6rhk by Molmil
The crystal structure of human carbonic anhydrase II in complex with 4-(3-benzylimidazolidine-1-carbonyl)benzenesulfonamide
分子名称: 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2019-04-22
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors.
Bioorg.Chem., 91, 2019
8C9X
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BU of 8c9x by Molmil
human alpha7 nicotinic receptor in complex with the C4 nanobody
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, Nanobody C4, ...
著者Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
登録日2023-01-23
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
8CAU
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BU of 8cau by Molmil
human alpha7 nicotinic receptor in complex with the C4 nanobody and nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 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Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
登録日2023-01-24
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
8C38
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BU of 8c38 by Molmil
Contracted cowpea chlorotic mottle virus
分子名称: Capsid protein
著者Harder, O.F, Barrass, S.V, Drabbels, M, Lorenz, U.J.
登録日2022-12-23
公開日2023-10-18
実験手法ELECTRON MICROSCOPY (1.64 Å)
主引用文献Fast viral dynamics revealed by microsecond time-resolved cryo-EM.
Nat Commun, 14, 2023
6RK8
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BU of 6rk8 by Molmil
Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
8CI2
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BU of 8ci2 by Molmil
human alpha7 nicotinic receptor in complex with the C4 nanobody under sub-saturating conditions
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, Nanobody C4, ...
著者Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
登録日2023-02-08
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
6RL3
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BU of 6rl3 by Molmil
Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
8CE4
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BU of 8ce4 by Molmil
Human alpha7 nicotinic receptor in complex with the E3 nanobody
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, Nanobody E3, ...
著者Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
登録日2023-02-01
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
6RL6
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BU of 6rl6 by Molmil
Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
8CI1
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BU of 8ci1 by Molmil
Human alpha7 nicotinic receptor in complex with the E3 nanobody and nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 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Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
登録日2023-02-08
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
6RML
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BU of 6rml by Molmil
Crystal structure of TOPBP1 BRCT0,1,2 in complex with a 53BP1 phosphopeptide
分子名称: 53BP1, DNA topoisomerase 2-binding protein 1
著者Day, M, Oliver, A.W, Pearl, L.H.
登録日2019-05-07
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
8C3J
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BU of 8c3j by Molmil
Stapled peptide SP2 in complex with humanised RadA mutant HumRadA22
分子名称: 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid, Breast cancer type 2 susceptibility protein, DNA repair and recombination protein RadA
著者Pantelejevs, T, Hyvonen, M.
登録日2022-12-26
公開日2023-11-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
8CR2
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BU of 8cr2 by Molmil
Homo sapiens Get1/Get2 heterotetramer (a3' deletion variant) in complex with a Get3 dimer
分子名称: ATPase ASNA1, Guided entry of tail-anchored proteins factor CAMLG,Guided entry of tail-anchored proteins factor 1, ZINC ION
著者McDowell, M.A, Heimes, M, Wild, K, Sinning, I.
登録日2023-03-07
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The GET insertase exhibits conformational plasticity and induces membrane thinning.
Nat Commun, 14, 2023
8C7B
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BU of 8c7b by Molmil
Slow cation movements within tetramolecular G-quadruplex: vacant cation binding sites in addition to all syn G-quartet
分子名称: DNA (5'-D(*GP*GP*GP*GP*CP*C)-3')
著者Wang, B, Zalar, M, Plavec, J, Sket, P.
登録日2023-01-14
公開日2023-11-22
実験手法SOLUTION NMR
主引用文献Insight into Tetramolecular DNA G-Quadruplexes Associated with ALS and FTLD: Cation Interactions and Formation of Higher-Ordered Structure.
Int J Mol Sci, 24, 2023
8CQZ
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BU of 8cqz by Molmil
Homo sapiens Get3 in complex with the Get1 cytoplasmic domain
分子名称: ATPase ASNA1, Guided entry of tail-anchored proteins factor 1
著者McDowell, M.A, Heimes, M, Wild, K, Saar, D, Sinning, I.
登録日2023-03-07
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The GET insertase exhibits conformational plasticity and induces membrane thinning.
Nat Commun, 14, 2023
8CMR
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BU of 8cmr by Molmil
Linear specific OTU-type DUB SnOTU from the pathogen S. negenvensis in complex with linear di-ubiquitin
分子名称: OTU domain-containing protein, Polyubiquitin-B
著者Uthoff, M, Hermanns, T, Boll, V, Hofmann, K, Baumann, U.
登録日2023-02-21
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Functional and structural diversity in deubiquitinases of the Chlamydia-like bacterium Simkania negevensis.
Nat Commun, 14, 2023
8CIZ
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BU of 8ciz by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A.
分子名称: Beta sliding clamp, Mycoplanecin A
著者Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R.
登録日2023-02-11
公開日2023-11-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
8CIY
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BU of 8ciy by Molmil
DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin.
分子名称: ACETATE ION, Beta sliding clamp, CALCIUM ION, ...
著者Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R.
登録日2023-02-11
公開日2023-11-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
8C7A
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BU of 8c7a by Molmil
Slow cation movements within tetramolecular G-quadruplex: vacant cation binding sites in addition to all syn G-quartet
分子名称: DNA (5'-D(*GP*GP*GP*GP*CP*C)-3')
著者Wang, B, Zalar, M, Plavec, J, Sket, P.
登録日2023-01-14
公開日2023-11-22
実験手法SOLUTION NMR
主引用文献Insight into Tetramolecular DNA G-Quadruplexes Associated with ALS and FTLD: Cation Interactions and Formation of Higher-Ordered Structure.
Int J Mol Sci, 24, 2023

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件を2024-07-17に公開中

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