3UN6
 
 | | 2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound | | Descriptor: | ABC transporter substrate-binding protein, PHOSPHATE ION, ZINC ION | | Authors: | Minasov, G, Wawrzak, Z, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kiryukhina, O, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-11-15 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | 2.0 Angstrom Crystal Structure of Ligand Binding Component of ABC-type Import System from Staphylococcus aureus with Zinc bound.
TO BE PUBLISHED
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3V05
 | | 2.4 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus. | | Descriptor: | CHLORIDE ION, Superantigen-like Protein | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Filippova, E.V, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-12-07 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2.4 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus.
TO BE PUBLISHED
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3SSK
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3SS0
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3SSH
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3SVC
 | | Engineered medium-affinity halide-binding protein derived from YFP: chloride complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Green fluorescent protein | | Authors: | Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2011-07-12 | | Release date: | 2012-07-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be Published
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3WSG
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3WV7
 | | HcgE from Methanothermobacter marburgensis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Hmd co-occurring protein HcgE | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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3WB0
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3WB1
 | | HcgB from Methanocaldococcus jannaschii | | Descriptor: | SULFATE ION, Uncharacterized protein MJ0488 | | Authors: | Tamura, H, Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2013-05-11 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of the HcgB enzyme in [Fe]-hydrogenase-cofactor biosynthesis.
Angew.Chem.Int.Ed.Engl., 52, 2013
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3WSD
 | | Oxidized HcgD from Methanocaldococcus jannaschii | | Descriptor: | CHLORIDE ION, FE (III) ION, Putative GTP cyclohydrolase 1 type 2 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-03-13 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
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3WV9
 | | Guanylylpyridinol (GP)- and ATP-bound HcgE from Methanothermobacter marburgensis | | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, ADENOSINE-5'-TRIPHOSPHATE, Hmd co-occurring protein HcgE, ... | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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3WV8
 | | ATP-bound HcgE from Methanothermobacter marburgensis | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Hmd co-occurring protein HcgE, SULFATE ION | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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3WSE
 | | Reduced HcgD from Methanocaldococcus jannaschii | | Descriptor: | FE (II) ION, PHOSPHATE ION, Putative GTP cyclohydrolase 1 type 2 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-03-13 | | Release date: | 2014-08-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
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3WB2
 | | HcgB from Methanocaldococcus jannaschii in complex with the guanylyl-pyridinol product in a model reaction of [Fe]-hydrogenase cofactor biosynthesis | | Descriptor: | 5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2013-05-11 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Identification of the HcgB enzyme in [Fe]-hydrogenase-cofactor biosynthesis.
Angew.Chem.Int.Ed.Engl., 52, 2013
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9BBH
 | | Co-crystal structure of human DDB1 bound to fragment UB028670 | | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-05 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
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4HS7
 | | 2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with PEG. | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Bacterial extracellular solute-binding protein, putative, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-10-29 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2.6 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with PEG.
TO BE PUBLISHED
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4JJF
 | | Crystal structure of FE-hydrogenase from methanothermobacter marburgensis in complex with 2-naphthylisocyanide | | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase, N-(naphthalen-2-yl)methanimine, iron-guanylyl pyridinol cofactor | | Authors: | Tamura, H, Warkentin, E, Ermler, U, Shima, S. | | Deposit date: | 2013-03-07 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of [fe]-hydrogenase in complex with inhibitory isocyanides: implications for the h2 -activation site.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4JJG
 | | Crystal structure of FE-hydrogenase from methanothermobacter marburgensis in complex with toluenesulfonylmethylisocyanide | | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase, N-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine, iron-guanylyl pyridinol cofactor | | Authors: | Tamura, H, Warkentin, E, Ermler, U, Shima, S. | | Deposit date: | 2013-03-07 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of [fe]-hydrogenase in complex with inhibitory isocyanides: implications for the h2 -activation site.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4KPU
 | | Electron transferring flavoprotein of Acidaminococcus fermentans: Towards a mechanism of flavin-based electron bifurcation | | Descriptor: | CHLORIDE ION, Electron transfer flavoprotein alpha subunit, Electron transfer flavoprotein alpha/beta-subunit, ... | | Authors: | Mowafy, A.M, Chowdhury, N.P, Demmer, J, Upadhyay, V, Kolzer, S, Jayamani, E, Kahnt, J, Demmer, U, Ermler, U, Buckel, W. | | Deposit date: | 2013-05-14 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Studies on the Mechanism of Electron Bifurcation Catalyzed by Electron Transferring Flavoprotein (Etf) and Butyryl-CoA Dehydrogenase (Bcd) of Acidaminococcus fermentans.
J.Biol.Chem., 289, 2014
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3B4V
 | | X-Ray structure of Activin in complex with FSTL3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Inhibin beta A chain, ... | | Authors: | Thompson, T.B. | | Deposit date: | 2007-10-24 | | Release date: | 2008-09-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | The structure of FSTL3.activin A complex. Differential binding of N-terminal domains influences follistatin-type antagonist specificity.
J.Biol.Chem., 283, 2008
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4L2I
 | | Electron transferring flavoprotein of Acidaminococcus fermentans: Towards a mechanism of flavin-based electron bifurcation | | Descriptor: | CHLORIDE ION, Electron transfer flavoprotein alpha subunit, Electron transfer flavoprotein alpha/beta-subunit, ... | | Authors: | Mowafy, A.M, Chowdhury, N.P, Demmer, J, Upadhyay, V, Kolzer, S, Jayamani, E, Kahnt, J, Demmer, U, Ermler, U, Buckel, W. | | Deposit date: | 2013-06-04 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Studies on the Mechanism of Electron Bifurcation Catalyzed by Electron Transferring Flavoprotein (Etf) and Butyryl-CoA Dehydrogenase (Bcd) of Acidaminococcus fermentans.
J.Biol.Chem., 289, 2014
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4L1F
 | | Electron transferring flavoprotein of Acidaminococcus fermentans: Towards a mechanism of flavin-based electron bifurcation | | Descriptor: | 1,3-PROPANDIOL, Acyl-CoA dehydrogenase domain protein, COENZYME A PERSULFIDE, ... | | Authors: | Mowafy, A.M, Chowdhury, N.P, Demmer, J, Upadhyay, V, Kolzer, S, Jayamani, E, Kahnt, J, Demmer, U, Ermler, U, Buckel, W. | | Deposit date: | 2013-06-03 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Studies on the Mechanism of Electron Bifurcation Catalyzed by Electron Transferring Flavoprotein (Etf) and Butyryl-CoA Dehydrogenase (Bcd) of Acidaminococcus fermentans.
J.Biol.Chem., 289, 2014
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4HW8
 | | 2.25 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with Maltose. | | Descriptor: | Bacterial extracellular solute-binding protein, putative, CHLORIDE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-11-07 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | 2.25 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with Maltose.
TO BE PUBLISHED
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4D2T
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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