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5OTD
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BU of 5otd by Molmil
The crystal structure of CK2alpha in complex with compound 25
分子名称: ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-21
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
6RKG
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BU of 6rkg by Molmil
1.32 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 7.5
分子名称: 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ...
著者Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
登録日2019-04-30
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
6A7U
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BU of 6a7u by Molmil
Crystal structure of histone H2A.Bbd-H2B dimer
分子名称: Histone H2B type 2-E,Histone H2A-Bbd type 2/3
著者Dai, L, Zhou, Z.
登録日2018-07-04
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the histone heterodimer containing histone variant H2A.Bbd.
Biochem. Biophys. Res. Commun., 503, 2018
3GSE
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BU of 3gse by Molmil
Crystal structure of menaquinone-specific isochorismate synthase from Yersinia pestis CO92
分子名称: Menaquinone-specific isochorismate synthase, SULFATE ION
著者Nocek, B, Gu, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-03-26
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of menaquinone-specific isochorismate synthase from Yersinia pestis CO92
To be Published
5OTQ
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BU of 5otq by Molmil
The crystal structure of CK2alpha in complex with compound 33
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
6S5H
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BU of 6s5h by Molmil
Structure of the human RAB38 in complex with GTP
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
登録日2019-07-01
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the human RAB38 in complex with GTP
To Be Published
5OTZ
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BU of 5otz by Molmil
The crystal structure of CK2alpha in complex with compound 1
分子名称: ACETATE ION, Casein kinase II subunit alpha, [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
3GMZ
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BU of 3gmz by Molmil
Crystal of human arginase in complex with L-ornithine. Resolution 1.43 A.
分子名称: Arginase-1, L-ornithine, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2009-03-15
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Binding of alpha,alpha-Disubstituted Amino Acids to Arginase Suggests New Avenues for Inhibitor Design
J.Med.Chem., 54, 2011
6RMK
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BU of 6rmk by Molmil
Bacteriorhodopsin, dark state, cell 2, refined using the same protocol as sub-ps time delays
分子名称: Bacteriorhodopsin, RETINAL
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I.
登録日2019-05-07
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
3GOZ
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BU of 3goz by Molmil
Crystal structure of the leucine-rich repeat-containing protein LegL7 from Legionella pneumophila. Northeast Structural Genomics Consortium target LgR148
分子名称: Leucine-rich repeat-containing protein
著者Vorobiev, S.M, Abashidze, M, Seetharaman, J, Belote, R.L, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2009-03-20
公開日2009-03-31
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Crystal structure of the leucine-rich repeat-containing protein LegL7 from Legionella pneumophila. Northeast Structural Genomics Consortium target LgR148.
To be Published
5OUT
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BU of 5out by Molmil
CRYSTAL STRUCTURE OF THE FERRIC ENTEROBACTIN RECEPTOR (PFEA) MUTANT (G324V) FROM PSEUDOMONAS AERUGINOSA
分子名称: Ferric enterobactin receptor
著者Moynie, L, Naismith, J.H.
登録日2017-08-24
公開日2018-09-05
最終更新日2019-08-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model.
Nat Commun, 10, 2019
7ZE9
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BU of 7ze9 by Molmil
Structure of an AA16 LPMO-like protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ...
著者Huang, Z, Banerjee, S, Muderspach, S.J, Sun, P, van Berkel, W.J.H, Kabel, M.A, Lo Leggio, L.
登録日2022-03-30
公開日2023-03-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.646 Å)
主引用文献AA16 Oxidoreductases Boost Cellulose-Active AA9 Lytic Polysaccharide Monooxygenases from Myceliophthora thermophila.
Acs Catalysis, 13, 2023
3GPM
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BU of 3gpm by Molmil
Structure of the trimeric form of the E113G PCNA mutant protein
分子名称: Proliferating cell nuclear antigen
著者Freudenthal, B.D, Gakhar, L, Ramaswamy, S, Washington, M.T.
登録日2009-03-23
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献A charged residue at the subunit interface of PCNA promotes trimer formation by destabilizing alternate subunit interactions.
Acta Crystallogr.,Sect.D, 65, 2009
3GUK
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BU of 3guk by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--Toluene binding
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2009-03-30
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
5OVK
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BU of 5ovk by Molmil
Crystal structure MabA bound to NADPH from M. smegmatis
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M.
登録日2017-08-29
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA.
Acta Crystallogr D Struct Biol, 74, 2018
3GQG
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BU of 3gqg by Molmil
Crystal structure at acidic pH of the ferric form of the Root effect hemoglobin from Trematomus bernacchii.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Vergara, A, Franzese, M, Merlino, A, Bonomi, G, Mazzarella, L.
登録日2009-03-24
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Correlation between hemichrome stability and the root effect in tetrameric hemoglobins.
Biophys.J., 97, 2009
5OWI
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BU of 5owi by Molmil
The dynamic dimer structure of the chaperone Trigger Factor (conformer 1)
分子名称: Trigger factor
著者Morgado, L, Burmann, B.M, Sharpe, T, Mazur, A, Hiller, S.
登録日2017-09-01
公開日2017-11-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The dynamic dimer structure of the chaperone Trigger Factor.
Nat Commun, 8, 2017
6RRD
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BU of 6rrd by Molmil
RNA Polymerase I Pre-initiation complex DNA opening intermediate 1
分子名称: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ...
著者Mueller, C.W, Sadian, Y, Tafur, L.
登録日2019-05-17
公開日2019-12-11
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular insight into RNA polymerase I promoter recognition and promoter melting.
Nat Commun, 10, 2019
6RJ8
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BU of 6rj8 by Molmil
Structure of the alpha-beta hydrolase CorS from Tabernathe iboga
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
著者Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E.
登録日2019-04-26
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
6RLU
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BU of 6rlu by Molmil
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
分子名称: 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, GLYCEROL, MALONATE ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2019-05-02
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6RXC
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BU of 6rxc by Molmil
Leishmania major pteridine reductase 1 (LmPTR1) in complex with inhibitor 4 (NMT-C0026)
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1, methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
著者Di Pisa, F, Dello Iacono, L, Pozzi, C, Mangani, S.
登録日2019-06-07
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
6RYR
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BU of 6ryr by Molmil
Nucleosome-CHD4 complex structure (single CHD4 copy)
分子名称: Chromodomain-helicase-DNA-binding protein 4,Chromodomain-helicase-DNA-binding protein 4,Chromodomain-helicase-DNA-binding protein 4, DNA (149-MER), Histone H2A type 1, ...
著者Farnung, L, Ochmann, M, Cramer, P.
登録日2019-06-11
公開日2020-07-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Nucleosome-CHD4 chromatin remodeller structure maps human disease mutations.
Elife, 9, 2020
6RQT
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BU of 6rqt by Molmil
RNA Polymerase I-tWH-Rrn3-DNA
分子名称: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ...
著者Mueller, C.W, Sadian, Y, Tafur, L.
登録日2019-05-16
公開日2019-12-11
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Molecular insight into RNA polymerase I promoter recognition and promoter melting.
Nat Commun, 10, 2019
6RS7
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BU of 6rs7 by Molmil
X-ray crystal structure of LsAA9B (deglycosylated form)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, ...
著者Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L.
登録日2019-05-21
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
7YS6
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BU of 7ys6 by Molmil
Cryo-EM structure of the Serotonin 6 (5-HT6) receptor-DNGs-scFv16 complex
分子名称: 5-hydroxytryptamine receptor 6, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, Q.Y, Wang, Y.F, He, L, Wang, S, Cong, Y.
登録日2022-08-11
公開日2023-03-29
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into constitutive activity of 5-HT 6 receptor.
Proc.Natl.Acad.Sci.USA, 120, 2023

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