6Q3W
 
 | | Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2018-12-04 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
To Be Published
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7OON
 | | The X-ray structure of heme-bound murine HEBP1 | | Descriptor: | Heme-binding protein 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Birck, C, Goodfellow, B.J. | | Deposit date: | 2021-05-28 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The SOUL family of heme-binding proteins: Structure and function 15 years later
Coord. Chem. Rev, 448, 2021
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7PAG
 | | The pore conformation of lymphocyte perforin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Perforin-1 | | Authors: | Ivanova, M.E, Lukoyanova, N, Malhotra, S, Topf, M, Trapani, J.A, Voskoboinik, I, Saibil, H.R. | | Deposit date: | 2021-07-29 | | Release date: | 2022-02-16 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | The pore conformation of lymphocyte perforin.
Sci Adv, 8, 2022
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146D
 | | SOLUTION STRUCTURE OF THE MITHRAMYCIN DIMER-DNA COMPLEX | | Descriptor: | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYROXY-7-METHYLANTHRACENE, 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose-(1-3)-2,6-dideoxy-beta-D-galactopyranose-(1-3)-beta-D-Olivopyranose, DNA (5'-D(*TP*CP*GP*CP*GP*A)-3'), ... | | Authors: | Sastry, M, Patel, D.J. | | Deposit date: | 1993-11-09 | | Release date: | 1995-03-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the mithramycin dimer-DNA complex.
Biochemistry, 32, 1993
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1A1J
 | | RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCGT SITE) | | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*CP*CP*CP*AP*CP*GP*C)-3'), PROTEIN (RADR ZIF268 ZINC FINGER PEPTIDE), ... | | Authors: | Elrod-Erickson, M, Benson, T.E, Pabo, C.O. | | Deposit date: | 1997-12-10 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition.
Structure, 6, 1998
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7NXT
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-183 | | Descriptor: | 14-3-3 protein sigma, 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-03-19 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7U8E
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7NZK
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-121 | | Descriptor: | 14-3-3 protein sigma, 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde, Transcription factor p65 | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-03-24 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7NR7
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-111 | | Descriptor: | 14-3-3 protein sigma, 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde, 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-03-03 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7O3Q
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-041 | | Descriptor: | 14-3-3 protein sigma, 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-04-02 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7O5O
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-165 | | Descriptor: | 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-04-09 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7O5A
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-158 | | Descriptor: | 14-3-3 protein sigma, 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-04-08 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7O6G
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-176 | | Descriptor: | 14-3-3 protein sigma, 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-04-11 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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1A1F
 | | DSNR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GACC SITE) | | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*TP*CP*CP*CP*AP*CP*GP*C)-3'), THREE-FINGER ZIF268 PEPTIDE, ... | | Authors: | Elrod-Erickson, M, Benson, T.E, Pabo, C.O. | | Deposit date: | 1997-12-10 | | Release date: | 1998-06-10 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition.
Structure, 6, 1998
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7O5X
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-173 | | Descriptor: | 14-3-3 protein sigma, 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-04-09 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7O6I
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7O6O
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-096 | | Descriptor: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate, 14-3-3 protein sigma, CALCIUM ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2021-04-11 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
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7RCL
 | | Crystal Structure of ADP-bound Galactokinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Galactokinase, MAGNESIUM ION, ... | | Authors: | Whitby, F.G, Hall, M.D. | | Deposit date: | 2021-07-07 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
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1A78
 | | COMPLEX OF TOAD OVARY GALECTIN WITH THIO-DIGALACTOSE | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GALECTIN-1, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose | | Authors: | Amzel, L.M, Bianchet, M.A, Ahmed, H, Vasta, G.R. | | Deposit date: | 1998-03-20 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Soluble beta-galactosyl-binding lectin (galectin) from toad ovary: crystallographic studies of two protein-sugar complexes
Proteins, 40, 2000
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7NRK
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1 | | Descriptor: | 14-3-3 protein sigma, 4-(4-methylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-03-04 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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7RCM
 | | Crystal Structure of ADP-bound Galactokinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Galactokinase, ... | | Authors: | Whitby, F.G. | | Deposit date: | 2021-07-07 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
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8FC1
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, hygromycin A, and erythromycin at 2.50A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Chen, C.-W, Syroegin, E.A, Svetlov, M.S, Polikanov, Y.S. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A.
Nat Commun, 14, 2023
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7NQP
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound LvD1009 | | Descriptor: | 14-3-3 protein sigma, 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-03-02 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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7NRL
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032 | | Descriptor: | 14-3-3 protein sigma, 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-03-04 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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7NSV
 | | 14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046 | | Descriptor: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, GLYCEROL, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-03-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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