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6AJC
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BU of 6ajc by Molmil
Crystal structure of Trypanosoma cruzi cytosolic isocitrate dehydrogenase in complex with NADP+, isocitrate and ca2+
分子名称: CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP], ...
著者Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K.
登録日2018-08-27
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
6AJA
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BU of 6aja by Molmil
Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADPH, alpha-ketoglutarate and ca2+
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K.
登録日2018-08-27
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
3UWL
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BU of 3uwl by Molmil
Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with 5-formyl tetrahydrofolate
分子名称: 1,2-ETHANEDIOL, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
著者Pozzi, C, Catalano, A, Cortesi, D, Luciani, R, Ferrari, S, Fritz, T, Costi, M.P, Mangani, S.
登録日2011-12-02
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The structure of Enterococcus faecalis thymidylate synthase provides clues about folate bacterial metabolism.
Acta Crystallogr.,Sect.D, 68, 2012
3LIZ
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BU of 3liz by Molmil
crystal structure of bla g 2 complexed with Fab 4C3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C3 monoclonal antibody Heavy Chain, ...
著者Li, M, Gustchina, A, Glesner, J, Wunschmann, S, Pomes, A, Wlodawer, A.
登録日2010-01-25
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanisms of allergen-antibody interaction of cockroach allergen Bla g 2 with monoclonal antibodies that inhibit IgE antibody binding.
Plos One, 6, 2011
6AJB
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BU of 6ajb by Molmil
Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADH, alpha-ketoglutarate and ca2+
分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
著者Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K.
登録日2018-08-27
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
2LBU
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BU of 2lbu by Molmil
HADDOCK calculated model of Congo red bound to the HET-s amyloid
分子名称: Small s protein, sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
著者Schutz, A.K, Soragni, A, Hornemann, S, Aguzzi, A, Ernst, M, Bockmann, A, Meier, B.H.
登録日2011-04-07
公開日2011-06-01
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献The Amyloid-Congo Red Interface at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 2011
2L2Y
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BU of 2l2y by Molmil
Thiostrepton, epimer form of residue 9
分子名称: Thiostrepton
著者Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D.
登録日2010-08-27
公開日2011-02-02
最終更新日2013-06-26
実験手法SOLUTION NMR
主引用文献NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
2GQ7
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BU of 2gq7 by Molmil
Crystal structure of an RNA racemate
分子名称: CALCIUM ION, GLYCEROL, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), ...
著者Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A.
登録日2006-04-20
公開日2006-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The first crystal structure of an RNA racemate.
Acta Crystallogr.,Sect.D, 62, 2006
3CNC
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BU of 3cnc by Molmil
Crystal Structure of Ad16 fiber knob
分子名称: Fiber protein
著者Pache, L, Venkataraman, S, Nemerow, G.R, Reddy, V.S.
登録日2008-03-25
公開日2008-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural variations in species B adenovirus fibers impact CD46 association
J.Virol., 82, 2008
2L6W
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BU of 2l6w by Molmil
PDGFR beta-TM
分子名称: Beta-type platelet-derived growth factor receptor
著者Muhle-Goll, C, Hoffmann, S, Ulrich, A.S.
登録日2010-11-29
公開日2012-05-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Hydrophobic matching controls the tilt and stability of the dimeric platelet-derived growth factor receptor (PDGFR) beta transmembrane segment.
J.Biol.Chem., 287, 2012
3TTI
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BU of 3tti by Molmil
Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol
著者Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y.
登録日2011-09-14
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
1TAM
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BU of 1tam by Molmil
HUMAN IMMUNODEFICIENCY VIRUS, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: HIV-1 MATRIX PROTEIN
著者Matthews, S, Barlow, P, Clark, N, Kingsman, S, Kingsman, A, Campbell, I.
登録日1996-02-07
公開日1996-07-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refined solution structure of p17, the HIV matrix protein.
Biochem.Soc.Trans., 23, 1995
2LT3
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BU of 2lt3 by Molmil
Solution NMR structure of the C-terminal domain of CdnL from Myxococcus xanthus
分子名称: Transcriptional regulator, CarD family
著者Mirassou, Y, Garcia-Moreno, D, Padmanabhan, S, Jimenez, M.A.
登録日2012-05-14
公開日2013-11-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Insights into RNA Polymerase Recognition and Essential Function of Myxococcus xanthus CdnL.
Plos One, 9, 2014
2L2X
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BU of 2l2x by Molmil
Thiostrepton, oxidized at CA-CB bond of residue 9
分子名称: Thiostrepton
著者Jonker, H.R.A, Baumann, S, Wolf, A, Schoof, S, Hiller, F, Schulte, K.W, Kirschner, K.N, Schwalbe, H, Arndt, H.-D.
登録日2010-08-27
公開日2011-02-02
最終更新日2013-06-26
実験手法SOLUTION NMR
主引用文献NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site.
Angew.Chem.Int.Ed.Engl., 50, 2011
2LT4
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BU of 2lt4 by Molmil
CdnLNt from Myxoccoccus xanthus
分子名称: Transcriptional regulator, CarD family
著者Jimenez, M.A, Padmanabhan, S, Mirassou, Y.
登録日2012-05-14
公開日2013-11-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Insights into RNA Polymerase Recognition and Essential Function of Myxococcus xanthus CdnL.
Plos One, 9, 2014
1N9K
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BU of 1n9k by Molmil
Crystal structure of the bromide adduct of AphA class B acid phosphatase/phosphotransferase from E. coli at 2.2 A resolution
分子名称: BROMIDE ION, Class B acid phosphatase, MAGNESIUM ION
著者Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
登録日2002-11-25
公開日2004-02-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
7PP0
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BU of 7pp0 by Molmil
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038)
分子名称: 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S.
登録日2021-09-10
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors.
Chemmedchem, 17, 2022
5BMF
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BU of 5bmf by Molmil
Crystal Structure of a Theophylline binding antibody Fab fragment
分子名称: 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate, Fab fragment heavy chain, Fab fragment light chain
著者Bujotzek, A, Fuchs, A, Changtao, Q, Klostermann, S, Benz, J, Antes, I, Dengl, S, Hoffmann, E, Georges, G.
登録日2015-05-22
公開日2015-07-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献MoFvAb: Modeling the Fv region of antibodies.
Mabs, 7, 2015
1OSC
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BU of 1osc by Molmil
Crystal structure of rat CUTA1 at 2.15 A resolution
分子名称: similar to divalent cation tolerant protein CUTA
著者Arnesano, F, Banci, L, Benvenuti, M, Bertini, I, Calderone, V, Mangani, S, Viezzoli, M.S, Structural Proteomics in Europe (SPINE)
登録日2003-03-19
公開日2003-11-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Evolutionarily Conserved Trimeric Structure of CutA1 Proteins Suggests a Role in Signal Transduction
J.Biol.Chem., 278, 2003
3ER6
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BU of 3er6 by Molmil
Crystal structure of a putative transcriptional regulator protein from Vibrio parahaemolyticus
分子名称: Putative transcriptional regulator protein
著者Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-10-01
公開日2008-10-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a putative transcriptional regulator protein from Vibrio parahaemolyticus
To be Published
8AGI
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BU of 8agi by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with JMC31
分子名称: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
著者Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
登録日2022-07-20
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
8AGJ
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BU of 8agj by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with JMC31
分子名称: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
著者Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
登録日2022-07-20
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
8AGL
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BU of 8agl by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31
分子名称: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
著者Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
登録日2022-07-20
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
7Q54
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BU of 7q54 by Molmil
Single Particle Cryo-EM structure of photosynthetic A4B4-glyceraldehyde 3-phosphate dehydrogenase from Spinacia oleracia.
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, Glyceraldehyde-3-phosphate dehydrogenase B, ...
著者Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
登録日2021-11-02
公開日2022-11-16
実験手法ELECTRON MICROSCOPY (8.9 Å)
主引用文献Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022
7Q55
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BU of 7q55 by Molmil
Single Particle Cryo-EM structure of photosynthetic A8B8 glyceraldehyde-3-phosphate dehydrogenase hexadecamer (major conformer) from Spinacia oleracia.
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, Glyceraldehyde-3-phosphate dehydrogenase B, ...
著者Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
登録日2021-11-02
公開日2022-11-16
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022

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