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1EPR
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BU of 1epr by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-135,040
分子名称: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
著者Badasso, M, Crawford, M, Cooper, J.B, Blundell, T.L.
登録日1994-07-27
公開日1994-12-20
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica.
Protein Sci., 3, 1994
6VQL
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BU of 6vql by Molmil
CRYSTAL STRUCTURE OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4-WT) COMPLEX WITH A NICOTINAMIDE INHIBITOR
分子名称: 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Sack, J.S.
登録日2020-02-05
公開日2020-06-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
2MTP
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BU of 2mtp by Molmil
The structure of Filamin repeat 21 bound to integrin
分子名称: Filamin-A, Integrin alpha-IIb, Integrin beta-3
著者Liu, J, Qin, J.
登録日2014-08-28
公開日2015-04-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural mechanism of integrin inactivation by filamin.
Nat.Struct.Mol.Biol., 22, 2015
3C27
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BU of 3c27 by Molmil
Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors
分子名称: Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ...
著者Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C.
登録日2008-01-24
公開日2009-02-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.182 Å)
主引用文献Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors
To be Published
6LXY
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BU of 6lxy by Molmil
IRAK4 in complex with inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide, SULFATE ION
著者Ghosh, K, Bose, S.
登録日2020-02-12
公開日2020-11-25
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
5VZJ
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BU of 5vzj by Molmil
STRUCTURE OF A TWELVE COMPONENT MPP6-NUCLEAR RNA EXOSOME COMPLEX BOUND TO RNA
分子名称: Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ...
著者Lima, C.D, Wasmuth, E.V.
登録日2017-05-28
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure and reconstitution of yeast Mpp6-nuclear exosome complexes reveals that Mpp6 stimulates RNA decay and recruits the Mtr4 helicase.
Elife, 6, 2017
7SFT
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BU of 7sft by Molmil
Filamin complex-2
分子名称: Filamin-A, Integrin alpha-IIb light chain, form 2
著者Liu, J, Qin, J.
登録日2021-10-04
公開日2023-04-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A mechanism of platelet integrin alpha IIb beta 3 outside-in signaling through a novel integrin alpha IIb subunit-filamin-actin linkage.
Blood, 141, 2023
7SC4
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BU of 7sc4 by Molmil
filamin complex-1
分子名称: Filamin-A/Integrin alpha-IIb light chain, form 2 chimera, SULFATE ION
著者Liu, J, Qin, J.
登録日2021-09-27
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A mechanism of platelet integrin alpha IIb beta 3 outside-in signaling through a novel integrin alpha IIb subunit-filamin-actin linkage.
Blood, 141, 2023
4DQ9
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BU of 4dq9 by Molmil
Crystal structure of the minor pseudopilin EPSH from the type II secretion system of Vibrio cholerae
分子名称: CHLORIDE ION, General secretion pathway protein H, SODIUM ION
著者Raghunathan, K, Vago, F.S, Grindem, D, Ball, T, Wedemeyer, W.J, Arvidson, D.N.
登録日2012-02-15
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The 1.59 angstrom resolution structure of the minor pseudopilin EpsH of Vibrio cholerae reveals a long flexible loop.
Biochim.Biophys.Acta, 1844, 2013
6KFB
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BU of 6kfb by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with thiocyanate
分子名称: Hydroxynitrile lyase, THIOCYANATE ION, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Motojima, F, Izumi, A, Asano, Y.
登録日2019-07-07
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
4V33
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BU of 4v33 by Molmil
Crystal structure of the putative polysaccharide deacetylase BA0330 from bacillus anthracis
分子名称: 1,2-ETHANEDIOL, ACETATE ION, POLYSACCHARIDE DEACETYLASE-LIKE PROTEIN, ...
著者Giastas, P, Andreou, A, Bouriotis, V, Eliopoulos, E.
登録日2014-10-16
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Two Putative Polysaccharide Deacetylases are Required for Osmotic Stability and Cell Shape Maintenance in Bacillus Anthracis.
J.Biol.Chem., 290, 2015
7Z3E
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BU of 7z3e by Molmil
XFEL structure of Class Ib ribonucleotide reductase dimanganese(II) NrdF in complex with hydroquinone NrdI from Bacillus cereus
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, MANGANESE (II) ION, Protein NrdI, ...
著者John, J, Lebrette, H, Aurelius, O, Hogbom, M.
登録日2022-03-02
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography.
Elife, 11, 2022
7Z3D
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BU of 7z3d by Molmil
XFEL structure of Class Ib ribonucleotide reductase dimanganese(II) NrdF in complex with oxidized NrdI from Bacillus cereus
分子名称: FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, Protein NrdI, ...
著者John, J, Lebrette, H, Aurelius, O, Hogbom, M.
登録日2022-03-02
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography.
Elife, 11, 2022
1EMT
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BU of 1emt by Molmil
FAB ANTIBODY FRAGMENT OF AN C60 ANTIFULLERENE ANTIBODY
分子名称: IGG ANTIBODY (HEAVY CHAIN), IGG ANTIBODY (LIGHT CHAIN)
著者Braden, B.C, Goldbaum, F.A, Chen, B.-X, Erlanger, B.F, Kirschner, A.N, Wilson, S.R.
登録日2000-03-17
公開日2000-11-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献X-ray crystal structure of an anti-Buckminsterfullerene antibody fab fragment: biomolecular recognition of C(60).
Proc.Natl.Acad.Sci.USA, 97, 2000
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
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
2K9U
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BU of 2k9u by Molmil
Solution NMR structure of the Filamin-migfilin complex
分子名称: Filamin-binding LIM protein 1, Gamma filamin
著者Ithychanda, S.N, Qin, J.
登録日2008-10-24
公開日2008-12-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Migfilin, a molecular switch in regulation of integrin activation.
J.Biol.Chem., 284, 2009
7M78
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BU of 7m78 by Molmil
Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J.
登録日2021-03-26
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
7M75
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BU of 7m75 by Molmil
Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J.
登録日2021-03-26
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
7M76
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Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J.
登録日2021-03-26
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
8R7O
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BU of 8r7o by Molmil
HUWE1 WWE domain in complex with 2'F-ATP
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, SODIUM ION, ...
著者Muenzker, L, Boettcher, J.
登録日2023-11-27
公開日2024-07-31
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
8RD1
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HUWE1 WWE domain in complex with compound 4
分子名称: 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1
著者Muenzker, L, Zak, K.M, Boettcher, J.
登録日2023-12-07
公開日2024-07-31
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
8RD7
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BU of 8rd7 by Molmil
HUWE1 WWE domain in complex with ADP-ribose
分子名称: ACETATE ION, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, ...
著者Muenzker, L, Zak, K.M, Boettcher, J.
登録日2023-12-07
公開日2024-07-31
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
8RD0
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BU of 8rd0 by Molmil
HUWE1 WWE domain in complex with compound 3
分子名称: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1
著者Muenzker, L, Boettcher, J.
登録日2023-12-07
公開日2024-07-31
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.765 Å)
主引用文献A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
8R6A
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BU of 8r6a by Molmil
DTX1 WWE domain in complex with ADP bound to WWE1
分子名称: ADENOSINE-5'-DIPHOSPHATE, E3 ubiquitin-protein ligase DTX1
著者Muenzker, L, Zak, K.M, Boettcher, J.
登録日2023-11-21
公開日2024-07-31
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024

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