7O6F
 
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-178 | | Descriptor: | 14-3-3 protein sigma, 4-[4-(2-hydroxyethyl)piperidin-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 (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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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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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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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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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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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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2O8M
 | | Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease | | Descriptor: | Protease, SODIUM ION, ZINC ION | | Authors: | Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N. | | Deposit date: | 2006-12-12 | | Release date: | 2007-10-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
J.Med.Chem., 50, 2007
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4O1D
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.705 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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8SG2
 | | BIVALENT INTERACTIONS OF PIN1 WITH THE C-TERMINAL TAIL OF PKC | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Protein kinase C beta type | | Authors: | Dixit, K, Yang, Y, Chen, X.R, Igumenova, T.I. | | Deposit date: | 2023-04-11 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A novel bivalent interaction mode underlies a non-catalytic mechanism for Pin1-mediated protein kinase C regulation.
Elife, 13, 2024
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1OCP
 | | SOLUTION STRUCTURE OF OCT3 POU-HOMEODOMAIN | | Descriptor: | OCT-3 | | Authors: | Morita, E.H, Hayashi, F, Shirakawa, M, Kyogoku, Y. | | Deposit date: | 1995-02-21 | | Release date: | 1995-09-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the Oct-3 POU-Homeodomain in Solution, as Determined by Triple Resonance Heteronuclear Multidimensional NMR Spectroscopy
Protein Sci., 4, 1995
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4MY2
 | | Crystal Structure of Norrin in fusion with Maltose Binding Protein | | Descriptor: | Maltose-binding periplasmic protein, Norrin fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Ke, J, Jurecky, C, Chen, C, Gu, X, Parker, N, Williams, B.O, Melcher, K, Xu, H.E. | | Deposit date: | 2013-09-27 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and function of Norrin in assembly and activation of a Frizzled 4-Lrp5/6 complex.
Genes Dev., 27, 2013
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1NUE
 | | X-RAY STRUCTURE OF NM23 HUMAN NUCLEOSIDE DIPHOSPHATE KINASE B COMPLEXED WITH GDP AT 2 ANGSTROMS RESOLUTION | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE | | Authors: | Morera, S, Lacombe, M.-L, Yingwu, X, Lebras, G, Janin, J. | | Deposit date: | 1995-10-06 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of human nucleoside diphosphate kinase B complexed with GDP at 2 A resolution.
Structure, 3, 1995
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2EYZ
 | | CT10-Regulated Kinase isoform II | | Descriptor: | v-crk sarcoma virus CT10 oncogene homolog isoform a | | Authors: | Kobashigawa, Y, Tanaka, S, Inagaki, F. | | Deposit date: | 2005-11-10 | | Release date: | 2006-11-10 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the transforming activity of human cancer-related signaling adaptor protein CRK.
Nat.Struct.Mol.Biol., 14, 2007
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1SFV
 | | PORCINE PANCREAS PHOSPHOLIPASE A2, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Van Den Berg, B, Tessari, M, Boelens, R, Dijkman, R, Kaptein, R, De Haas, G.H, Verheij, H.M. | | Deposit date: | 1996-02-20 | | Release date: | 1996-07-11 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure of porcine pancreatic phospholipase A2 complexed with micelles and a competitive inhibitor.
J.Biomol.NMR, 5, 1995
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1SFW
 | | PORCINE PANCREAS PHOSPHOLIPASE A2, NMR, 18 STRUCTURES | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Van Den Berg, B, Tessari, M, Boelens, R, Dijkman, R, Kaptein, R, De Haas, G.H, Verheij, H.M. | | Deposit date: | 1996-02-23 | | Release date: | 1996-07-11 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure of porcine pancreatic phospholipase A2 complexed with micelles and a competitive inhibitor.
J.Biomol.NMR, 5, 1995
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1P7I
 | | CRYSTAL STRUCTURE OF ENGRAILED HOMEODOMAIN MUTANT K52A | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Segmentation polarity homeobox protein engrailed | | Authors: | Stollar, E.J, Mayor, U, Lovell, S.C, Federici, L, Freund, S.M, Fersht, A.R, Luisi, B.F. | | Deposit date: | 2003-05-02 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Engrailed Homeodomain Mutants: IMPLICATIONS FOR STABILITY AND DYNAMICS
J.Biol.Chem., 278, 2003
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1P7J
 | | Crystal structure of engrailed homeodomain mutant K52E | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Segmentation polarity homeobox protein engrailed | | Authors: | Stollar, E.J, Mayor, U, Lovell, S.C, Federici, L, Freund, S.M, Fersht, A.R, Luisi, B.F. | | Deposit date: | 2003-05-02 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Engrailed Homeodomain Mutants: IMPLICATIONS FOR STABILITY AND DYNAMICS
J.Biol.Chem., 278, 2003
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6CP0
 | | SdcA in complex with the E2, UbcH5C | | Descriptor: | SdcA, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Wasilko, D.J, Huang, Q, Mao, Y. | | Deposit date: | 2018-03-13 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC.
Elife, 7, 2018
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8QU3
 | | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ... | | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2023-10-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
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8QU2
 | | NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | | Authors: | Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | | Deposit date: | 2023-10-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
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3O7L
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2DY5
 | | Crystal structure of rat heme oxygenase-1 in complex with heme and 2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane | | Descriptor: | 1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE, CHLORIDE ION, Heme oxygenase 1, ... | | Authors: | Sugishima, M, Takahashi, H, Fukuyama, K. | | Deposit date: | 2006-09-06 | | Release date: | 2007-05-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | X-ray crystallographic and biochemical characterization of the inhibitory action of an imidazole-dioxolane compound on heme oxygenase
Biochemistry, 46, 2007
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3BBF
 | | Crystal structure of the NM23-H2 transcription factor complex with GDP | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Weichsel, A, Montfort, W.R. | | Deposit date: | 2007-11-09 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NM23-H2 may play an indirect role in transcriptional activation of c-myc gene expression but does not cleave the nuclease hypersensitive element III1.
Mol.Cancer Ther., 8, 2009
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3BBB
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