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7O6F
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-178
分子名称: 14-3-3 protein sigma, 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-11
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
7NXT
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-183
分子名称: 14-3-3 protein sigma, 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-19
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
7NZK
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-121
分子名称: 14-3-3 protein sigma, 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2021-03-24
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
7O3Q
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-041
分子名称: 14-3-3 protein sigma, 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-02
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7NQP
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound LvD1009
分子名称: 14-3-3 protein sigma, 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-03-02
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7O5A
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BU of 7o5a by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-158
分子名称: 14-3-3 protein sigma, 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-08
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7O6G
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-176
分子名称: 14-3-3 protein sigma, 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-11
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
2O8M
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Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease
分子名称: Protease, SODIUM ION, ZINC ION
著者Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N.
登録日2006-12-12
公開日2007-10-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4O1D
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BU of 4o1d by Molmil
Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
分子名称: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者Oh, A, Coons, M, Brillantes, B, Wang, W.
登録日2013-12-15
公開日2014-10-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
8SG2
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BIVALENT INTERACTIONS OF PIN1 WITH THE C-TERMINAL TAIL OF PKC
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Protein kinase C beta type
著者Dixit, K, Yang, Y, Chen, X.R, Igumenova, T.I.
登録日2023-04-11
公開日2024-05-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A novel bivalent interaction mode underlies a non-catalytic mechanism for Pin1-mediated protein kinase C regulation.
Elife, 13, 2024
1OCP
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BU of 1ocp by Molmil
SOLUTION STRUCTURE OF OCT3 POU-HOMEODOMAIN
分子名称: OCT-3
著者Morita, E.H, Hayashi, F, Shirakawa, M, Kyogoku, Y.
登録日1995-02-21
公開日1995-09-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the Oct-3 POU-Homeodomain in Solution, as Determined by Triple Resonance Heteronuclear Multidimensional NMR Spectroscopy
Protein Sci., 4, 1995
4MY2
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BU of 4my2 by Molmil
Crystal Structure of Norrin in fusion with Maltose Binding Protein
分子名称: Maltose-binding periplasmic protein, Norrin fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Ke, J, Jurecky, C, Chen, C, Gu, X, Parker, N, Williams, B.O, Melcher, K, Xu, H.E.
登録日2013-09-27
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and function of Norrin in assembly and activation of a Frizzled 4-Lrp5/6 complex.
Genes Dev., 27, 2013
1NUE
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BU of 1nue by Molmil
X-RAY STRUCTURE OF NM23 HUMAN NUCLEOSIDE DIPHOSPHATE KINASE B COMPLEXED WITH GDP AT 2 ANGSTROMS RESOLUTION
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE
著者Morera, S, Lacombe, M.-L, Yingwu, X, Lebras, G, Janin, J.
登録日1995-10-06
公開日1996-04-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of human nucleoside diphosphate kinase B complexed with GDP at 2 A resolution.
Structure, 3, 1995
2EYZ
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BU of 2eyz by Molmil
CT10-Regulated Kinase isoform II
分子名称: v-crk sarcoma virus CT10 oncogene homolog isoform a
著者Kobashigawa, Y, Tanaka, S, Inagaki, F.
登録日2005-11-10
公開日2006-11-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural basis for the transforming activity of human cancer-related signaling adaptor protein CRK.
Nat.Struct.Mol.Biol., 14, 2007
1SFV
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BU of 1sfv by Molmil
PORCINE PANCREAS PHOSPHOLIPASE A2, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Van Den Berg, B, Tessari, M, Boelens, R, Dijkman, R, Kaptein, R, De Haas, G.H, Verheij, H.M.
登録日1996-02-20
公開日1996-07-11
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of porcine pancreatic phospholipase A2 complexed with micelles and a competitive inhibitor.
J.Biomol.NMR, 5, 1995
1SFW
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PORCINE PANCREAS PHOSPHOLIPASE A2, NMR, 18 STRUCTURES
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Van Den Berg, B, Tessari, M, Boelens, R, Dijkman, R, Kaptein, R, De Haas, G.H, Verheij, H.M.
登録日1996-02-23
公開日1996-07-11
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of porcine pancreatic phospholipase A2 complexed with micelles and a competitive inhibitor.
J.Biomol.NMR, 5, 1995
1P7I
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BU of 1p7i by Molmil
CRYSTAL STRUCTURE OF ENGRAILED HOMEODOMAIN MUTANT K52A
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Segmentation polarity homeobox protein engrailed
著者Stollar, E.J, Mayor, U, Lovell, S.C, Federici, L, Freund, S.M, Fersht, A.R, Luisi, B.F.
登録日2003-05-02
公開日2003-10-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Engrailed Homeodomain Mutants: IMPLICATIONS FOR STABILITY AND DYNAMICS
J.Biol.Chem., 278, 2003
1P7J
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BU of 1p7j by Molmil
Crystal structure of engrailed homeodomain mutant K52E
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Segmentation polarity homeobox protein engrailed
著者Stollar, E.J, Mayor, U, Lovell, S.C, Federici, L, Freund, S.M, Fersht, A.R, Luisi, B.F.
登録日2003-05-02
公開日2003-10-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Engrailed Homeodomain Mutants: IMPLICATIONS FOR STABILITY AND DYNAMICS
J.Biol.Chem., 278, 2003
6CP0
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SdcA in complex with the E2, UbcH5C
分子名称: SdcA, Ubiquitin-conjugating enzyme E2 D3
著者Wasilko, D.J, Huang, Q, Mao, Y.
登録日2018-03-13
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC.
Elife, 7, 2018
8QU3
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BU of 8qu3 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ...
著者Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU2
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NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ...
著者Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
3O7L
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BU of 3o7l by Molmil
Crystal Structure of phospholamban (1-19):PKA C-subunit:AMP-PNP:Mg2+ complex
分子名称: Cardiac phospholamban, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Cheng, C.Y, Taylor, S.S.
登録日2010-07-30
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dynamics connect substrate recognition to catalysis in protein kinase A.
Nat.Chem.Biol., 6, 2010
2DY5
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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
分子名称: 1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE, CHLORIDE ION, Heme oxygenase 1, ...
著者Sugishima, M, Takahashi, H, Fukuyama, K.
登録日2006-09-06
公開日2007-05-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献X-ray crystallographic and biochemical characterization of the inhibitory action of an imidazole-dioxolane compound on heme oxygenase
Biochemistry, 46, 2007
3BBF
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BU of 3bbf by Molmil
Crystal structure of the NM23-H2 transcription factor complex with GDP
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Weichsel, A, Montfort, W.R.
登録日2007-11-09
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
3BBB
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Crystal structure of the NM23-H2 transcription factor complex with dinucleotide d(AG)
分子名称: DNA (5'-D(*AP*G)-3'), Nucleoside diphosphate kinase B
著者Weichsel, A, Montfort, W.R.
登録日2007-11-09
公開日2008-09-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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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