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7BJF	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-069 Descriptor: (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate, 14-3-3 protein sigma, CHLORIDE ION, ... Authors: Wolter, M, Ottmann, C. Deposit date: 2021-01-14 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
7BKH	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-153 Descriptor: 14-3-3 protein sigma, 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde, Transcription factor p65 Authors: Wolter, M, Ottmann, C. Deposit date: 2021-01-16 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
7BI3	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-179 Descriptor: 14-3-3 protein sigma, 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde, CALCIUM ION, ... Authors: Wolter, M, Ottmann, C. Deposit date: 2021-01-12 Release date: 2021-06-16 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
7BIY	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175 Descriptor: 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile, 14-3-3 protein sigma, CHLORIDE ION, ... Authors: Wolter, M, Ottmann, C. Deposit date: 2021-01-13 Release date: 2021-06-16 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
8FO9	Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 tetramer state Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ... Authors: Zhu, H, Sun, J. Deposit date: 2022-12-30 Release date: 2024-01-03 Method: ELECTRON MICROSCOPY (3.48 Å) Cite: Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2. Science, 382, 2023
6AQP	Aspergillus fumigatus Cytosolic Thiolase: Acetylated enzyme in complex with CoA and potassium ions Descriptor: ACETYL COENZYME *A, Acetyl-CoA acetyltransferase, CHLORIDE ION, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-21 Release date: 2018-05-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
5WNY	DNA polymerase beta substrate complex with incoming 5-FdUTP Descriptor: 2'-deoxy-5-fluorouridine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ... Authors: Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D. Deposit date: 2017-08-01 Release date: 2017-09-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues. Chem. Res. Toxicol., 30, 2017
2VPW	Polysulfide reductase with bound menaquinone Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ... Authors: Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S. Deposit date: 2008-03-09 Release date: 2008-06-10 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Molecular Mechanism of Energy Conservation in Polysulfide Respiration. Nat.Struct.Mol.Biol., 15, 2008
2VPY	Polysulfide reductase with bound quinone inhibitor, pentachlorophenol (PCP) Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ... Authors: Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S. Deposit date: 2008-03-09 Release date: 2008-06-10 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Molecular Mechanism of Energy Conservation in Polysulfide Respiration. Nat.Struct.Mol.Biol., 15, 2008
3RHP	Crystal structure of the C707A mutant of the C-Terminal domain of 10'FORMYLTETRAHYDROFOLATE DEHYDROGENASE Descriptor: Aldehyde dehydrogenase 1 family, member L1, GLYCEROL, ... Authors: Tsybovsky, Y. Deposit date: 2011-04-11 Release date: 2011-05-04 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Conserved catalytic residues of the ALDH1L1 aldehyde dehydrogenase domain control binding and discharging of the coenzyme. J.Biol.Chem., 286, 2011
6BCY	Complex of 14-3-3 theta with an IRSp53 peptide phosphorylated at T360 Descriptor: 14-3-3 protein theta, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ... Authors: Kast, D.J, Dominguez, R. Deposit date: 2017-10-20 Release date: 2018-10-24 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Mechanism of IRSp53 inhibition by 14-3-3. Nat Commun, 10, 2019
7EBC	Crystal structure of Isocitrate lyase-1 from Saccaromyces cervisiae Descriptor: Isocitrate lyase, MAGNESIUM ION, TETRAETHYLENE GLYCOL Authors: Hiragi, K, Nishio, K, Moriyama, S, Hamaguchi, T, Mizoguchi, A, Yonekura, K, Tani, K, Mizushima, T. Deposit date: 2021-03-09 Release date: 2021-06-23 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural insights into the targeting specificity of ubiquitin ligase for S. cerevisiae isocitrate lyase but not C. albicans isocitrate lyase. J.Struct.Biol., 213, 2021
1Q10	Ensemble of 40 Structures of the Dimeric Mutant of the B1 Domain of Streptococcal Protein G Descriptor: Immunoglobulin G binding protein G Authors: Byeon, I.J, Louis, J.M, Gronenborn, A.M. Deposit date: 2003-07-18 Release date: 2003-10-14 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: A Protein Contortionist: Core Mutations of GB1 that Induce Dimerization and Domain Swapping J.Mol.Biol., 333, 2003
6ARG	Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with rubidium ions Descriptor: Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-22 Release date: 2018-05-30 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.782 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
6ARF	Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with potassium ions Descriptor: Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... Authors: Marshall, A.C, Bond, C.S, Bruning, J.B. Deposit date: 2017-08-22 Release date: 2018-05-30 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.702 Å) Cite: Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
5WNZ	DNA polymerase beta substrate complex with incoming 5-FodCTP Descriptor: 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ... Authors: Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D. Deposit date: 2017-08-01 Release date: 2017-09-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues. Chem. Res. Toxicol., 30, 2017
5WO0	DNA polymerase beta substrate complex with incoming 5-FodUTP Descriptor: 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ... Authors: Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D. Deposit date: 2017-08-01 Release date: 2017-09-13 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues. Chem. Res. Toxicol., 30, 2017
6BVF	Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA Descriptor: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine Authors: Schlicksup, C, Wang, J.C, Zlotnick, A. Deposit date: 2017-12-12 Release date: 2018-02-07 Last modified: 2024-05-15 Method: ELECTRON MICROSCOPY (4 Å) Cite: Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids. Elife, 7, 2018
5YLX	Integrated illustration of a valid epitope based on the SLA class I structure and tetramer technique could carry forward the development of molecular vaccine in swine species Descriptor: Beta-2-microglobulin, MHC class I antigen, PRRSV-NSP9-TMP9 peptide Authors: Pan, X.C, Wei, X.H, Zhang, N, Xia, C. Deposit date: 2017-10-20 Release date: 2018-10-24 Last modified: 2020-05-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Illumination of PRRSV Cytotoxic T Lymphocyte Epitopes by the Three-Dimensional Structure and Peptidome of Swine Lymphocyte Antigen Class I (SLA-I). Front Immunol, 10, 2019
7VD6	Structure of S1M1-type FCPII complex from diatom Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... Authors: Nagao, R, Kato, K, Akita, F, Miyazaki, N, Shen, J.R. Deposit date: 2021-09-06 Release date: 2022-03-02 Last modified: 2024-06-19 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Structural basis for different types of hetero-tetrameric light-harvesting complexes in a diatom PSII-FCPII supercomplex Nat Commun, 13, 2022
7VD5	Structure of C2S2M2-type PSII-FCPII supercomplex from diatom Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... Authors: Nagao, R, Kato, K, Akita, F, Miyazaki, N, Shen, J.R. Deposit date: 2021-09-06 Release date: 2022-03-02 Last modified: 2022-09-14 Method: ELECTRON MICROSCOPY (2.5 Å) Cite: Structural basis for different types of hetero-tetrameric light-harvesting complexes in a diatom PSII-FCPII supercomplex Nat Commun, 13, 2022
6C52	Cross-alpha Amyloid-like Structure alphaTet Descriptor: Cross-alpha Amyloid-like Structure alphaTet, GLYCEROL Authors: Liu, L, Zhang, S.Q. Deposit date: 2018-01-13 Release date: 2018-08-15 Last modified: 2020-01-01 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
7BIW	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187 Descriptor: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ... Authors: Wolter, M, Ottmann, C. Deposit date: 2021-01-13 Release date: 2021-09-15 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
7BJB	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044 Descriptor: 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ... Authors: Wolter, M, Ottmann, C. Deposit date: 2021-01-14 Release date: 2021-09-15 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
3SDX	Crystal structure of human autoreactive-Valpha24 NKT TCR in complex with CD1d-beta-galactosylceramide Descriptor: Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide, ... Authors: Clarke, A.J, Patel, O, Rossjohn, J. Deposit date: 2011-06-09 Release date: 2011-10-05 Method: X-RAY DIFFRACTION (3.12 Å) Cite: Recognition of beta-linked self glycolipids mediated by natural killer T cell antigen receptors Nat.Immunol., 12, 2011

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