7NZV
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-120 | Descriptor: | 14-3-3 protein sigma, 4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-24 | Release date: | 2021-06-09 | Last modified: | 2024-10-09 | 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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7O57
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-157 | Descriptor: | 14-3-3 protein sigma, 3-morpholin-4-yl-4-nitro-benzaldehyde, Transcription factor p65 | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-08 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 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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7O3R
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7O5D
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-160 | Descriptor: | 14-3-3 protein sigma, 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-08 | Release date: | 2021-06-09 | Last modified: | 2024-10-09 | 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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7O5C
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-159 | Descriptor: | 14-3-3 protein sigma, 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide, 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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7O5U
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-168 | Descriptor: | 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylimidazol-2-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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6XC7
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CC12.3 and CR3022 | Descriptor: | CC12.3 heavy chain, CC12.3 light chain, CR3022 heavy chain, ... | Authors: | Yuan, M, Liu, H, Wu, N.C, Zhu, X, Wilson, I.A. | Deposit date: | 2020-06-08 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.883 Å) | Cite: | Structural basis of a shared antibody response to SARS-CoV-2. Science, 369, 2020
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6CQ8
| K2P2.1(TREK-1):ML335 complex | Descriptor: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2018-03-14 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site. Nature, 547, 2017
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5VNU
| Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Mn-bound FeBMb | Descriptor: | MANGANESE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. | Deposit date: | 2017-05-01 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism. J. Am. Chem. Soc., 139, 2017
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7O6K
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-080 | Descriptor: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate, 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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6QGB
| Crystal structure of Ideonella sakaiensis MHETase bound to benzoic acid | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BENZOIC ACID, CALCIUM ION, ... | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-03 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate. Nat Commun, 10, 2019
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1HO8
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2OGH
| Solution structure of yeast eIF1 | Descriptor: | Eukaryotic translation initiation factor eIF-1 | Authors: | Reibarkh, M, del Rio, F, Yamamoto, Y, Asano, K, Wagner, G. | Deposit date: | 2007-01-05 | Release date: | 2007-11-20 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Eukaryotic Initiation Factor (eIF) 1 Carries Two Distinct eIF5-binding Faces Important for Multifactor Assembly and AUG Selection. J.Biol.Chem., 283, 2008
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5VEH
| Re-refinement OF THE PDB STRUCTURE 1yiz of Aedes aegypti kynurenine aminotransferase | Descriptor: | BROMIDE ION, GLYCEROL, Kynurenine aminotransferase | Authors: | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-04 | Release date: | 2017-11-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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6CBA
| Ethylene forming enzyme in complex with manganese, 2-oxoglutarate and canavanine | Descriptor: | 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, L-CANAVANINE, ... | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2018-02-02 | Release date: | 2019-02-06 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme. Biochemistry, 2024
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5D8X
| 1.50A resolution structure of BfrB (L68A E81A) from Pseudomonas aeruginosa | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Ferroxidase, ... | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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5VGL
| Crystal structure of lachrymatory factor synthase from Allium cepa | Descriptor: | Lachrymatory-factor synthase | Authors: | Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2017-04-11 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa. ACS Chem. Biol., 12, 2017
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5VIF
| Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase | Descriptor: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... | Authors: | Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H. | Deposit date: | 2017-04-15 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase. Nat. Chem. Biol., 13, 2017
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5VH2
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2O0T
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4PH8
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5VGA
| Alternative model for Fab 36-65 | Descriptor: | Fab 36-65 heavy chain, Fab 36-65 light chain, TRIETHYLENE GLYCOL | Authors: | Stanfield, R.L, Rupp, B, Wlodawer, A, Dauter, Z, Porebski, P.J, Minor, W, Jaskolski, M, Pozharski, E, Weichenberger, C.X. | Deposit date: | 2017-04-10 | Release date: | 2017-12-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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6QGR
| The F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri at the Nia-S state | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-12 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. Angew.Chem.Int.Ed.Engl., 58, 2019
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5VCO
| THE CRYSTAL STRUCTURE OF DER P 1 ALLERGEN COMPLEXED WITH FAB FRAGMENT OF MAB 10B9 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HEAVY CHAIN OF FAB FRAGMENT OF 10B9 ANTIBODY, ... | Authors: | Osinski, T, Majorek, K.A, Pomes, A, Offermann, L.R, Osinski, S, Glesner, J, Vailes, L.D, Chapman, M.D, Minor, W, Chruszcz, M. | Deposit date: | 2017-03-31 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural Analysis of Der p 1-Antibody Complexes and Comparison with Complexes of Proteins or Peptides with Monoclonal Antibodies. J. Immunol., 195, 2015
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3UOM
| Ca2+ complex of Human skeletal calsequestrin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Sanchez, E.J, Lewis, K.M, Danna, B.R, Nissen, M.S, Kang, C.H. | Deposit date: | 2011-11-16 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | High-capacity Ca2+ Binding of Human Skeletal Calsequestrin. J.Biol.Chem., 287, 2012
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