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6TZ5
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BU of 6tz5 by Molmil
CryoEM reconstruction of membrane-bound ESCRT-III filament composed of CHMP1B+IST1 (left-handed)
分子名称: Charged multivesicular body protein 1b, IST1 homolog
著者Nguyen, H.C, Frost, A.
登録日2019-08-10
公開日2020-04-08
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Membrane constriction and thinning by sequential ESCRT-III polymerization.
Nat.Struct.Mol.Biol., 27, 2020
6UGE
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BU of 6uge by Molmil
Katanin hexamer in the ring conformation in complex with substrate
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Meiotic spindle formation protein mei-1, ...
著者Zehr, E.A, Roll-Mecak, A.
登録日2019-09-26
公開日2019-10-09
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Katanin Grips the beta-Tubulin Tail through an Electropositive Double Spiral to Sever Microtubules.
Dev.Cell, 52, 2020
6XHU
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BU of 6xhu by Molmil
Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design
分子名称: 3C-like proteinase
著者Kneller, D.W, Coates, L, Kovalevsky, A.
登録日2020-06-19
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
2JYA
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BU of 2jya by Molmil
NMR solution structure of protein ATU1810 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium target AtR23, Ontario Centre for Structural Proteomics Target ATC1776
分子名称: Uncharacterized protein Atu1810
著者Lemak, A, Yee, A, Gutmanas, A, Fares, C, Karra, M, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
登録日2007-12-07
公開日2007-12-25
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of protein ATU1810 form Agrobacterium tumefaciens.
To be Published
6IVO
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BU of 6ivo by Molmil
Crystal structure of a membrane protein P208A
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
5ERJ
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BU of 5erj by Molmil
X-ray structure of cisplatin-encapsulated horse spleen apoferritin
分子名称: CADMIUM ION, CHLORIDE ION, Cisplatin, ...
著者Pontillo, N, Merlino, A.
登録日2015-11-14
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cisplatin encapsulation within a ferritin nanocage: a high-resolution crystallographic study.
Chem.Commun.(Camb.), 52, 2016
4ZRG
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BU of 4zrg by Molmil
Visual arrestin mutant - R175E
分子名称: CARBON DIOXIDE, S-arrestin
著者Granzin, J, Stadler, A, Cousin, A, Schlesinger, R, Batra-Safferling, R.
登録日2015-05-12
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural evidence for the role of polar core residue Arg175 in arrestin activation.
Sci Rep, 5, 2015
7A3V
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BU of 7a3v by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with 3-hydroxysulfolane
分子名称: 1,2-ETHANEDIOL, 3-hydroxythietane-1,1-dioxide, GLYCEROL, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-18
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A4X
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BU of 7a4x by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with dimethyl sulfoxide
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Nguyen, D, Nguyen, T.X.P, Heine, A, Klebe, G.
登録日2020-08-20
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7ADN
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BU of 7adn by Molmil
apo tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant
分子名称: FORMIC ACID, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Nguyen, D, You, S, Heine, A, Klebe, G.
登録日2020-09-15
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A3X
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BU of 7a3x by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with sulfolane
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-18
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A6D
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BU of 7a6d by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-4,4-difluorocyclopentane-1,2-diol
分子名称: (1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-25
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
6RWO
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BU of 6rwo by Molmil
SIVrcm intasome (Q148H/G140S) in complex with bictegravir
分子名称: Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ...
著者Cherepanov, P, Nans, A, Cook, N.
登録日2019-06-05
公開日2020-02-05
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
7A4K
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BU of 7a4k by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with tetramethylene sulfoxide
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-19
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
6IKN
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BU of 6ikn by Molmil
Crystal structure of the GAS7 F-BAR domain
分子名称: Growth arrest-specific protein 7
著者Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S.
登録日2018-10-16
公開日2019-10-16
最終更新日2019-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7.
Nat Commun, 10, 2019
7A0B
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BU of 7a0b by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane
分子名称: (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-07
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
6I83
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BU of 6i83 by Molmil
Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366
分子名称: 4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Burschowsky, D, Seewooruthun, C, Bayliss, R, Carr, M.D, Echalier, A, Jordan, A.M.
登録日2018-11-19
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RETV804MKinase.
Acs Med.Chem.Lett., 11, 2020
7A9E
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BU of 7a9e by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone
分子名称: 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ...
著者Nguyen, D, You, S, Heine, A, Klebe, G.
登録日2020-09-01
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
6XS3
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BU of 6xs3 by Molmil
X-ray structure of the monoclinic crystal form at 2.48 A resolution of lipase from Thermomyces (Humicola) lanuginosa at 298 K
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
著者McPherson, A.
登録日2020-07-14
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Current Enzyme Inhibition, 16, 2020
6RJ5
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BU of 6rj5 by Molmil
Crystal structure of PHGDH in complex with compound 39
分子名称: 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION
著者Bader, G, Wolkerstorfer, B, Zoephel, A.
登録日2019-04-26
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
7ABM
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BU of 7abm by Molmil
X-ray structure of phosphorylated Barrier-to-autointegration factor (BAF)
分子名称: Barrier-to-autointegration factor, CESIUM ION
著者Zinn-Justin, S, Marcelot, A, Le Du, M.H, Ropars, V.
登録日2020-09-08
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Di-phosphorylated BAF shows altered structural dynamics and binding to DNA, but interacts with its nuclear envelope partners.
Nucleic Acids Res., 49, 2021
6XWZ
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BU of 6xwz by Molmil
Carbonic Anhydrase II-mediated hydrolysis of selenolester
分子名称: GLYCEROL, ZINC ION, benzeneselenol, ...
著者Angeli, A, Feraroni, M.
登録日2020-01-24
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Selenolesterase enzyme activity of carbonic anhydrases
Chem.Commun.(Camb.), 2020
5SCK
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BU of 5sck by Molmil
Structure of liver pyruvate kinase in complex with anthraquinone derivative 42
分子名称: 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Lulla, A, Foller, A, Nain-Perez, A, Grotli, M, Brear, P, Hyvonen, M.
登録日2021-12-01
公開日2022-03-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
6ZVG
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BU of 6zvg by Molmil
Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-indole-3-lactic acid
分子名称: 3-(INDOL-3-YL) LACTATE, Aminotransferase, MAGNESIUM ION, ...
著者Rum, J, Rutkiewicz, M, Pruska, A, Bujacz, A, Pietrzyk-Brzezinska, A.J, Bujacz, G.
登録日2020-07-24
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Materials (Basel), 14, 2021
6ZWK
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BU of 6zwk by Molmil
Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody)
分子名称: CHLORIDE ION, Histone H2AX, SODIUM ION, ...
著者McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A.
登録日2020-07-28
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress.
Cancers (Basel), 13, 2021

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件を2024-07-10に公開中

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