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5N4K
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N-terminal domain of a human Coronavirus NL63 nucleocapsid protein
分子名称: Nucleoprotein, SULFATE ION
著者Zdzalik, M, Szelazek, B, Kabala, W, Golik, P, Burmistrz, M, Florek, D, Kus, K, Pyrc, K, Dubin, G.
登録日2017-02-10
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural Characterization of Human Coronavirus NL63 N Protein.
J. Virol., 91, 2017
2GMS
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BU of 2gms by Molmil
E coli GDP-4-keto-6-deoxy-D-mannose-3-dehydratase with bound hydrated PLP
分子名称: MAGNESIUM ION, Putative pyridoxamine 5-phosphate-dependent dehydrase, Wbdk, ...
著者Cook, P.D, Thoden, J.B, Holden, H.M.
登録日2006-04-07
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of GDP-4-keto-6-deoxy-D-mannose-3-dehydratase: a unique coenzyme B6-dependent enzyme.
Protein Sci., 15, 2006
3J07
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BU of 3j07 by Molmil
Model of a 24mer alphaB-crystallin multimer
分子名称: Alpha-crystallin B chain
著者Jehle, S, Vollmar, B, Bardiaux, B, Dove, K.K, Rajagopal, P, Gonen, T, Oschkinat, H, Klevit, R.E.
登録日2011-04-27
公開日2016-01-20
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (20 Å), SOLID-STATE NMR, SOLUTION SCATTERING
主引用文献N-terminal domain of {alpha}B-crystallin provides a conformational switch for multimerization and structural heterogeneity.
Proc.Natl.Acad.Sci.USA, 108, 2011
5N1O
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BU of 5n1o by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-chloro-4-(chloromethyl)-5-hydroxyphenyl)ethan-1-one
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-06
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
2H68
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BU of 2h68 by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
分子名称: WD-repeat protein 5
著者Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
登録日2006-05-30
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
5MZY
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BU of 5mzy by Molmil
Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog
分子名称: (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid, ACETATE ION, GLYCEROL, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
2H6K
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BU of 2h6k by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
分子名称: Histone H3 K4-Me 9-residue peptide, WD-repeat protein 5
著者Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
登録日2006-05-31
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
7GLQ
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BU of 7glq by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-8df914d1-2 (Mpro-P2007)
分子名称: 2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.063 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
5N32
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cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-chlorobenzyl carbamimidothioate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3J
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BU of 5n3j by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-Nitrobenzoic acid
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-NITROBENZOIC ACID, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
2NV2
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BU of 2nv2 by Molmil
Structure of the PLP synthase complex Pdx1/2 (YaaD/E) from Bacillus subtilis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLUTAMINE, ...
著者Strohmeier, M, Tews, I, Sinning, I.
登録日2006-11-10
公開日2006-12-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure of a bacterial pyridoxal 5'-phosphate synthase complex
Proc.Natl.Acad.Sci.Usa, 103, 2006
5N1K
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BU of 5n1k by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-amino-1-(4-fluorophenyl)ethanol
分子名称: (1S)-2-amino-1-(4-fluorophenyl)ethanol, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-06
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
3IQH
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BU of 3iqh by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNYDI
分子名称: Cysteine synthase, MNYDI, SULFATE ION
著者Roderick, S.L.
登録日2009-08-20
公開日2009-11-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
7ET5
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BU of 7et5 by Molmil
Crystal structure of Arabidopsis TEM1 AP2 domain
分子名称: AP2/ERF and B3 domain-containing transcription repressor TEM1, SULFATE ION
著者Hu, H, Du, J.
登録日2021-05-12
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.052 Å)
主引用文献TEM1 combinatorially binds to FLOWERING LOCUS T and recruits a Polycomb factor to repress the floral transition in Arabidopsis.
Proc.Natl.Acad.Sci.USA, 118, 2021
3BG5
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BU of 3bg5 by Molmil
Crystal Structure of Staphylococcus Aureus Pyruvate Carboxylase
分子名称: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Xiang, S, Tong, L.
登録日2007-11-26
公開日2008-02-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of human and Staphylococcus aureus pyruvate carboxylase and molecular insights into the carboxyltransfer reaction.
Nat.Struct.Mol.Biol., 15, 2008
5N1T
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Crystal structure of complex between flavocytochrome c and copper chaperone CopC from T. paradoxus
分子名称: COPPER (II) ION, CopC, Cytochrome C, ...
著者Osipov, E.M, Lilina, A.V, Tikhonova, T.V, Tsallagov, S.I, Popov, V.O.
登録日2017-02-06
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the flavocytochrome c sulfide dehydrogenase associated with the copper-binding protein CopC from the haloalkaliphilic sulfur-oxidizing bacterium Thioalkalivibrio paradoxusARh 1.
Acta Crystallogr D Struct Biol, 74, 2018
2GSY
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BU of 2gsy by Molmil
The 2.6A structure of Infectious Bursal Virus Derived T=1 Particles
分子名称: CALCIUM ION, polyprotein
著者Garriga, D, Querol-Audi, J, Abaitua, F, Saugar, I, Pous, J, Verdaguer, N, Caston, J.R, Rodriguez, J.F.
登録日2006-04-27
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The 2.6-angstrom structure of infectious bursal disease virus-derived t=1 particles reveals new stabilizing elements of the virus capsid.
J.Virol., 80, 2006
7ET6
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BU of 7et6 by Molmil
Crystal structure of Arabidopsis TEM1 B3-DNA complex
分子名称: AP2/ERF and B3 domain-containing transcription repressor TEM1, FT-RY14-F, FT-RY14-R
著者Hu, H, Du, J.
登録日2021-05-12
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献TEM1 combinatorially binds to FLOWERING LOCUS T and recruits a Polycomb factor to repress the floral transition in Arabidopsis.
Proc.Natl.Acad.Sci.USA, 118, 2021
5N3O
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cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-(1,3-oxazol-5-yl)aniline
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3-oxazol-5-yl)aniline, DIMETHYL SULFOXIDE, ...
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
7ET4
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BU of 7et4 by Molmil
Crystal structure of Arabidopsis TEM1 AP2 domain
分子名称: AP2/ERF and B3 domain-containing transcription repressor TEM1, DNA (12-mer)
著者Hu, H, Du, J.
登録日2021-05-12
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献TEM1 combinatorially binds to FLOWERING LOCUS T and recruits a Polycomb factor to repress the floral transition in Arabidopsis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EY9
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BU of 7ey9 by Molmil
tail proteins
分子名称: Tail fiber protein, Tail tubular protein gp11, Tail tubular protein gp12
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
5N6F
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BU of 5n6f by Molmil
Crystal structure of TGT in complex with guanine fragment
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GUANINE, ...
著者Hassaan, E, Heine, A, Klebe, G.
登録日2017-02-15
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.11909521 Å)
主引用文献Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
3IWR
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BU of 3iwr by Molmil
Crystal structure of class I chitinase from Oryza sativa L. japonica
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chitinase
著者Kezuka, Y, Watanabe, T, Nonaka, T.
登録日2009-09-03
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering.
Proteins, 78, 2010
7F26
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Crystal structure of lysozyme
分子名称: Lysozyme C
著者Liang, M.
登録日2021-06-10
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel combined crystallization plate for high-throughput crystal screening and in situ data collection at a crystallography beamline.
Acta Crystallogr.,Sect.F, 77, 2021
3IS8
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BU of 3is8 by Molmil
Structure of mineralized Bfrb soaked with FeSO4 from Pseudomonas aeruginosa to 2.25A Resolution
分子名称: Bacterioferritin, FE (II) ION, POTASSIUM ION, ...
著者Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
登録日2009-08-25
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010

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