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7BFF
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BU of 7bff by Molmil
Circular permutant of ribosomal protein S6, P54-55 truncated, I25A mutant.
分子名称: 30S ribosomal protein S6,30S ribosomal protein S6
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2021-01-02
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Circular permutant of ribosomal protein S6
To Be Published
7BFE
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BU of 7bfe by Molmil
Circular permutant of ribosomal protein S6, P54-55 truncated, L21A mutant.
分子名称: 30S ribosomal protein S6,30S ribosomal protein S6, IODIDE ION
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2021-01-02
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Circular permutant of ribosomal protein S6
To Be Published
7BFD
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BU of 7bfd by Molmil
Circular permutant of ribosomal protein S6, P54-55 truncated, Y4A mutant.
分子名称: 30S ribosomal protein S6,30S ribosomal protein S6
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2021-01-02
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Circular permutant of ribosomal protein S6
To Be Published
7B8V
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BU of 7b8v by Molmil
Circular permutant of ribosomal protein S6, P54-55
分子名称: 30S ribosomal protein S6
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2020-12-13
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.863 Å)
主引用文献Circular permutant of ribosomal protein S6, P54-55
To Be Published
5O8A
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BU of 5o8a by Molmil
Crystal Structure of rsEGFP2 in the non-fluorescent off-state determined by SFX
分子名称: Green fluorescent protein
著者Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
4I5M
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BU of 4i5m by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2
著者Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M.
登録日2012-11-28
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
6FLH
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BU of 6flh by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form
分子名称: GLYCEROL, SULFATE ION, Superoxide dismutase [Cu-Zn]
著者Wang, H, Yang, F, Logan, D, Oliveberg, M.
登録日2018-01-25
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The Cost of Long Catalytic Loops in Folding and Stability of the ALS-Associated Protein SOD1.
J.Am.Chem.Soc., 140, 2018
5O8B
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BU of 5o8b by Molmil
Difference-refined excited-state structure of rsEGFP2 1ps following 400nm-laser irradiation of the off-state.
分子名称: Green fluorescent protein
著者Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2017-06-12
公開日2018-01-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5O89
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BU of 5o89 by Molmil
Crystal Structure of rsEGFP2 in the fluorescent on-state determined by SFX
分子名称: Green fluorescent protein
著者Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2017-06-12
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5O8C
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BU of 5o8c by Molmil
Composite structure of rsEGFP2 1ps following 400nm-laser irradiation of the off-state.
分子名称: Green fluorescent protein
著者Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2017-06-12
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5OPY
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BU of 5opy by Molmil
Crystal structure of anti-alphaVbeta3 integrin Fab LM609
分子名称: Heavy chain of LM609 Fab (antigen-binding fragment), Light chain of LM609 Fab (antigen-binding fragment)
著者Backovic, M, Veesler, D, Borst, A.J, James, Z.M, Zagotta, W, Ginsberg, M, Rey, F.A, DiMaio, F.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance.
Structure, 25, 2017
4H1V
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BU of 4h1v by Molmil
GMP-PNP bound dynamin-1-like protein GTPase-GED fusion
分子名称: Dynamin-1-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Wenger, J, Klinglmayr, E, Eibl, C, Hessenberger, M, Goettig, P.
登録日2012-09-11
公開日2013-08-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses.
Plos One, 8, 2013
4N1L
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BU of 4n1l by Molmil
Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions
分子名称: NACHT, LRR and PYD domains-containing protein 14
著者Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H.
登録日2013-10-04
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
4N1K
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BU of 4n1k by Molmil
Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions
分子名称: NACHT, LRR and PYD domains-containing protein 14
著者Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H.
登録日2013-10-04
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
4N1J
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BU of 4n1j by Molmil
Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions
分子名称: GLYCEROL, NACHT, LRR and PYD domains-containing protein 14
著者Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H.
登録日2013-10-04
公開日2014-07-16
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
3PMD
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BU of 3pmd by Molmil
Crystal structure of the sporulation inhibitor pXO1-118 from Bacillus anthracis
分子名称: CHLORIDE ION, Conserved domain protein, UNDECANOIC ACID
著者Stranzl, G.R, Santelli, E, Bankston, L.A, La Clair, C, Bobkov, A, Schwarzenbacher, R, Godzik, A, Perego, M, Grynberg, M, Liddington, R.C.
登録日2010-11-16
公開日2011-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Insights into Inhibition of Bacillus anthracis Sporulation by a Novel Class of Non-heme Globin Sensor Domains.
J.Biol.Chem., 286, 2011
3PMC
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BU of 3pmc by Molmil
Crystal structure of the sporulation inhibitor pXO2-61 from Bacillus anthracis
分子名称: CHLORIDE ION, IODIDE ION, Uncharacterized protein pXO2-61/BXB0075/GBAA_pXO2_0075
著者Stranzl, G.R, Santelli, E, Bankston, L.A, La Clair, C, Bobkov, A, Schwarzenbacher, R, Godzik, A, Perego, M, Grynberg, M, Liddington, R.C.
登録日2010-11-16
公開日2011-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural Insights into Inhibition of Bacillus anthracis Sporulation by a Novel Class of Non-heme Globin Sensor Domains.
J.Biol.Chem., 286, 2011
3DKH
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BU of 3dkh by Molmil
L559A mutant of Melanocarpus albomyces laccase
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, CHLORIDE ION, ...
著者Hakulinen, N, Rouvinen, J.
登録日2008-06-25
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Essential role of the C-terminus in Melanocarpus albomyces laccase for enzyme production, catalytic properties and structure
Febs J., 276, 2009
6F9A
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BU of 6f9a by Molmil
Solution structure of the MRH domain of Yos9 complexed with alpha3,alpha6-Man5
分子名称: ER quality-control lectin
著者Kniss, A, Kazemi, S, Lohr, F, Guntert, P, Dotsch, V.
登録日2017-12-14
公開日2019-01-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of the MRH domain of Yos9 complexed with alpha3,alpha6-Man5
To Be Published
6F99
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BU of 6f99 by Molmil
Solution structure of the MRH domain of Yos9
分子名称: ER quality-control lectin
著者Kniss, A, Kazemi, S, Lohr, F, Guntert, P, Dotsch, V.
登録日2017-12-14
公開日2019-01-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of the MRH domain of Yos9
To Be Published
3PK2
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BU of 3pk2 by Molmil
Artificial Transfer Hydrogenases for the Enantioselective Reduction of Cyclic Imines
分子名称: IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
著者Schirmer, T, Heinisch, T.
登録日2010-11-11
公開日2011-04-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Artificial transfer hydrogenases for the enantioselective reduction of cyclic imines.
Angew.Chem.Int.Ed.Engl., 50, 2011
4ACH
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BU of 4ach by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
4ACD
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BU of 4acd by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
4ACG
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BU of 4acg by Molmil
GSK3b in complex with inhibitor
分子名称: 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-15
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
4ACC
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BU of 4acc by Molmil
GSK3b in complex with inhibitor
分子名称: 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA
著者Xue, Y, Ormo, M.
登録日2011-12-14
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012

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