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8QK8
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BU of 8qk8 by Molmil
Structure of Legionella pneumophila Lcl C-terminal domain bound to sulphate
分子名称: HbP1, SULFATE ION
著者Rehman, S, Garnett, J.A.
登録日2023-09-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Legionella collagen-like protein employs a unique binding mechanism for the recognition of host glycosaminoglycans.
Biorxiv, 2023
4EB0
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BU of 4eb0 by Molmil
Crystal structure of Leaf-branch compost bacterial cutinase homolog
分子名称: LCC, THIOCYANATE ION
著者Sulaiman, S, You, D.J, Eiko, K, Koga, Y, Kanaya, S.
登録日2012-03-23
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Leaf-branch compost bacterial cutinase homolog
To be Published
6FHS
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BU of 6fhs by Molmil
CryoEM Structure of INO80core
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Arp5, ...
著者Eustermann, S, Schall, K, Kostrewa, D, Strauss, M, Hopfner, K.
登録日2018-01-15
公開日2018-04-25
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.754 Å)
主引用文献Structural basis for ATP-dependent chromatin remodelling by the INO80 complex.
Nature, 556, 2018
6FML
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BU of 6fml by Molmil
CryoEM Structure INO80core Nucleosome complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin related protein 5, ...
著者Eustermann, S, Schall, K, Kostrewa, D, Strauss, M, Hopfner, K.
登録日2018-01-31
公開日2018-04-25
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.34 Å)
主引用文献Structural basis for ATP-dependent chromatin remodelling by the INO80 complex.
Nature, 556, 2018
5UJ0
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BU of 5uj0 by Molmil
Structure of T4Pnkp 3' phosphatase covalently bound to BeF3
分子名称: GLYCEROL, MAGNESIUM ION, Polynucleotide kinase
著者Shuman, S, Chatterjee, D.
登録日2017-01-16
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Truncated T4Pnk covalently bound to BeF3
To Be Published
5VX6
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BU of 5vx6 by Molmil
Structure of Bacillus subtilis Inhibitor of motility (MotI/DgrA)
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Uncharacterized protein YpfA
著者Subramanian, S, Dann III, C.
登録日2017-05-23
公開日2017-11-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.197 Å)
主引用文献MotI (DgrA) acts as a molecular clutch on the flagellar stator protein MotA inBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6QUN
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BU of 6qun by Molmil
Crystal structure of AtGapC1 with the catalytic Cys149 irreversibly oxidized by H2O2 treatment
分子名称: Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Trost, P.
登録日2019-02-28
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Glutathionylation primes soluble glyceraldehyde-3-phosphate dehydrogenase for late collapse into insoluble aggregates.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QUQ
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BU of 6quq by Molmil
Crystal structure of glutathionylated glycolytic glyceraldehyde-3- phosphate dehydrogenase from Arabidopsis thaliana (AtGAPC1)
分子名称: GLUTATHIONE, Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Trost, P.
登録日2019-02-28
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.993 Å)
主引用文献Glutathionylation primes soluble glyceraldehyde-3-phosphate dehydrogenase for late collapse into insoluble aggregates.
Proc.Natl.Acad.Sci.USA, 116, 2019
4ZJJ
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BU of 4zjj by Molmil
PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
分子名称: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
著者Gutmann, S, Rummel, G.
登録日2015-04-29
公開日2015-06-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
6Z9V
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BU of 6z9v by Molmil
Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV
分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
著者Rizkallah, P.J, Man, S, Redman, J.E.
登録日2020-06-04
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
6Z9X
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BU of 6z9x by Molmil
Human Class I Major Histocompatibility Complex, A02 allele, presenting LLS (t-butyl)Y FGTPT
分子名称: Beta-2-microglobulin, LEU-LEU-SER-TUR-PHE-GLY-THR-PRO-THR, MHC class I antigen, ...
著者Rizkallah, P.J, Man, S, Redman, J.E.
登録日2020-06-04
公開日2021-06-30
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
6Z9W
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BU of 6z9w by Molmil
Human Class I Major Histocompatibility Complex, A02 allele, presenting LLGWVFAQV
分子名称: Beta-2-microglobulin, LEU-LEU-GLY-TRP-VAL-PHE-ALA-GLN-VAL, MHC class I antigen
著者Rizkallah, P.J, Man, S, Redman, J.E.
登録日2020-06-04
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
4WCD
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BU of 4wcd by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 10
分子名称: 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
4WCF
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BU of 4wcf by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 9
分子名称: 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
4PTN
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BU of 4ptn by Molmil
Crystal Structure of YagE, a KDG aldolase protein in complex with Magnesium cation coordinated L-glyceraldehyde
分子名称: 1,2-ETHANEDIOL, GLYCEROL, L-glyceraldehyde, ...
著者Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S.
登録日2014-03-11
公開日2014-12-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structure of YagE, a putative DHDPS-like protein from Escherichia coli K12.
Proteins, 71, 2008
4ZJI
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BU of 4zji by Molmil
PAK1 in complex with 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
分子名称: 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
著者Gutmann, S, Rummel, G.
登録日2015-04-29
公開日2015-06-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
4XKK
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BU of 4xkk by Molmil
Crystal structure of N-terminal domain of Hsp90 from Dictyostelium discoideum
分子名称: Heat shock cognate 90 kDa protein
著者Raman, S, Suguna, K.
登録日2015-01-12
公開日2015-01-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heat shock protein 90 regulates development in Dictyostelium discoideum
J. Mol. Biol., 383, 2008
3BZ0
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BU of 3bz0 by Molmil
Lactobacillus Casei Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Cancian, L, Costi, M.P, Ferrari, S, Luciani, R, Mangani, S.
登録日2008-01-17
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3C0A
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BU of 3c0a by Molmil
Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 2
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S.
登録日2008-01-19
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3BNZ
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BU of 3bnz by Molmil
Crystal structure of Thymidylate Synthase ternary complex with dUMP and 8A inhibitor
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile, PHOSPHATE ION, ...
著者Leone, R, Cancian, L, Luciani, R, Ferrari, S, Costi, M.P, Mangani, S.
登録日2007-12-15
公開日2008-12-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3BYX
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BU of 3byx by Molmil
Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 in Multiple Binding Modes
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S.
登録日2008-01-16
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3C06
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BU of 3c06 by Molmil
Lactobacillus CASEI Thymidylate Synthase Ternary Complex With DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S.
登録日2008-01-18
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
4O7U
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BU of 4o7u by Molmil
Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7
分子名称: 1,2-ETHANEDIOL, 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ...
著者Mangani, S, Pozzi, C.
登録日2013-12-26
公開日2014-12-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
7AAU
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BU of 7aau by Molmil
Crystal structure of nitrosoglutathione reductase from Chlamydomonas reinhardtii in complex with NAD+
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D.
登録日2020-09-04
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020
7AAS
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BU of 7aas by Molmil
Crystal structure of nitrosoglutathione reductase (GSNOR) from Chlamydomonas reinhardtii
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, S-(hydroxymethyl)glutathione dehydrogenase, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D.
登録日2020-09-04
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020

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