7O5O
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![BU of 7o5o by Molmil](/molmil-images/mine/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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7O5X
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![BU of 7o5x by Molmil](/molmil-images/mine/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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7O3Q
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![BU of 7o3q by Molmil](/molmil-images/mine/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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7O6I
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7O5A
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![BU of 7o5a by Molmil](/molmil-images/mine/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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7O6O
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![BU of 7o6o by Molmil](/molmil-images/mine/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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7O6G
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![BU of 7o6g by Molmil](/molmil-images/mine/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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7O24
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7O0H
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7O0G
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7O31
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![BU of 7o31 by Molmil](/molmil-images/mine/7o31) | Crystal structure of the anti-PAS Fab 1.2 in complex with its epitope peptide and the anti-Kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, PAS#1 epitope peptide, anti-Kappa VHH domain, ... | Authors: | Schilz, J, Schiefner, A, Skerra, A. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope. J.Mol.Biol., 433, 2021
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4HEA
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![BU of 4hea by Molmil](/molmil-images/mine/4hea) | Crystal structure of the entire respiratory complex I from Thermus thermophilus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Baradaran, R, Berrisford, J.M, Minhas, G.S, Sazanov, L.A. | Deposit date: | 2012-10-03 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3027 Å) | Cite: | Crystal structure of the entire respiratory complex I. Nature, 494, 2013
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7O30
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7O2Z
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![BU of 7o2z by Molmil](/molmil-images/mine/7o2z) | Crystal structure of the anti-PAS Fab 2.2 in complex with its epitope peptide | Descriptor: | CHLORIDE ION, P/A#1 epitope peptide, anti-PAS Fab 2.2 chimeric heavy chain, ... | Authors: | Schilz, J, Schiefner, A, Skerra, A. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope. J.Mol.Biol., 433, 2021
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7O33
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![BU of 7o33 by Molmil](/molmil-images/mine/7o33) | Crystal structure of the anti-PAS Fab 3.1 in complex with its epitope peptide | Descriptor: | APSA epitope peptide, anti-PAS Fab 3.1 chimeric heavy chain, anti-PAS Fab 3.1 chimeric light chain | Authors: | Schilz, J, Skerra, A. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope. J.Mol.Biol., 433, 2021
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1S6Y
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![BU of 1s6y by Molmil](/molmil-images/mine/1s6y) | 2.3A crystal structure of phospho-beta-glucosidase | Descriptor: | 6-phospho-beta-glucosidase | Authors: | Tereshko, V, Dementieva, I, Kim, Y, Collat, F, Joachimiak, A, Kossiakoff, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-01-28 | Release date: | 2004-05-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 2.3A CRYSTAL STRUCTURE OF PHOSPHO-BETA-GLUCOSIDASE, licH Gene Product from BACILLUS STEAROTHERMOPHILUS To be Published
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3NC7
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![BU of 3nc7 by Molmil](/molmil-images/mine/3nc7) | CYP134A1 2-phenylimidazole bound structure | Descriptor: | 2-phenyl-1H-imidazole, Cytochrome P450 cypX, MAGNESIUM ION, ... | Authors: | Cryle, M.J, Schlichting, I. | Deposit date: | 2010-06-04 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase. Biochemistry, 49, 2010
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3NH8
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![BU of 3nh8 by Molmil](/molmil-images/mine/3nh8) | Crystal structure of murine aminoacylase 3 in complex with N-acetyl-S-1,2-dichlorovinyl-L-cysteine | Descriptor: | Aspartoacylase-2, CHLORIDE ION, N-acetyl-S-[(1S)-1,2-dichloroethyl]-L-cysteine, ... | Authors: | Hsieh, J.M, Tsirulnikov, K, Sawaya, M.R, Magilnick, N, Abuladze, N, Kurtz, I, Abramson, J, Pushkin, A. | Deposit date: | 2010-06-14 | Release date: | 2010-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structures of aminoacylase 3 in complex with acetylated substrates. Proc.Natl.Acad.Sci.USA, 107, 2010
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3NH4
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![BU of 3nh4 by Molmil](/molmil-images/mine/3nh4) | Crystal structure of murine aminoacylase 3 | Descriptor: | ACETATE ION, Aspartoacylase-2, CESIUM ION, ... | Authors: | Hsieh, J.M, Tsirulnikov, K, Sawaya, M.R, Magilnick, N, Abuladze, N, Kurtz, I, Abramson, J, Pushkin, A. | Deposit date: | 2010-06-14 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of aminoacylase 3 in complex with acetylated substrates. Proc.Natl.Acad.Sci.USA, 107, 2010
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3NC3
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![BU of 3nc3 by Molmil](/molmil-images/mine/3nc3) | CYP134A1 structure with a closed substrate binding loop | Descriptor: | Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ... | Authors: | Cryle, M.J, Schlichting, I. | Deposit date: | 2010-06-04 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase. Biochemistry, 49, 2010
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7MFE
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![BU of 7mfe by Molmil](/molmil-images/mine/7mfe) | Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved | Descriptor: | 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION | Authors: | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | Deposit date: | 2021-04-09 | Release date: | 2022-01-26 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (4.07 Å) | Cite: | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding. Nat Commun, 13, 2022
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1RJP
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![BU of 1rjp by Molmil](/molmil-images/mine/1rjp) | Crystal structure of D-aminoacylase in complex with 100mM CuCl2 | Descriptor: | ACETATE ION, COPPER (II) ION, D-aminoacylase, ... | Authors: | Lai, W.L, Chou, L.Y, Ting, C.Y, Tsai, Y.C, Liaw, S.H. | Deposit date: | 2003-11-20 | Release date: | 2004-04-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The functional role of the binuclear metal center in D-aminoacylase: one-metal activation and second-metal attenuation. J.Biol.Chem., 279, 2004
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7MFD
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![BU of 7mfd by Molmil](/molmil-images/mine/7mfd) | Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved | Descriptor: | 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ... | Authors: | Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K. | Deposit date: | 2021-04-09 | Release date: | 2022-01-26 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding. Nat Commun, 13, 2022
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3T3R
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![BU of 3t3r by Molmil](/molmil-images/mine/3t3r) | Human Cytochrome P450 2A6 in complex with Pilocarpine | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-07-25 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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3TDA
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![BU of 3tda by Molmil](/molmil-images/mine/3tda) | Competitive replacement of thioridazine by prinomastat in crystals of cytochrome P450 2D6 | Descriptor: | Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, Prinomastat, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2011-08-10 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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